 vasp.5.4.4 18Apr17 (build Oct 23 2020 11:37:50) complex                        
  
 executed on             LinuxIFC date 2023.06.20  12:28:17
 running  288 mpi-ranks, with    1 threads/rank
 distrk:  each k-point on  144 cores,    2 groups
 distr:  one band on NCORES_PER_BAND=  36 cores,    4 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE Na 08Apr2002                  
 POTCAR:    PAW_PBE Os 17Jan2003                  
 POTCAR:    PAW_PBE Ba_sv 06Sep2000               
 POTCAR:    PAW_PBE O 08Apr2002                   

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      You have enabled k-point parallelism (KPAR>1).                         |
|      This developmental code was originally  written by Paul Kent at ORNL,  |
|      and carefully double checked in Vienna.                                |
|      GW as well as linear response parallelism added by Martijn Marsman     |
|      and Georg Kresse.                                                      |
|      Carefully verify results versus KPAR=1.                                |
|      Report problems to Paul Kent and Vienna.                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Na 08Apr2002                  
   SHA256 =  28de979e29d3a0ce6b912090ec41d2d3fb15239b988ee49a7215736a384d2747 Na
   COPYR  = (c) Copyright 08Apr2002 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =Na: s1p0                                                             
   LEXCH  = PE                                                                  
   EATOM  =     5.1581 eV,    0.3791 Ry                                         
                                                                                
   TITEL  = PAW_PBE Na 08Apr2002                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.800    partial core radius                                     
   POMASS =   22.990; ZVAL   =    1.000    mass and valenz                      
   RCORE  =    2.200    outmost cutoff radius                                   
   RWIGS  =    3.320; RWIGS  =    1.757    wigner-seitz radius (au A)           
   ENMAX  =  101.968; ENMIN  =   76.476 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  250.695                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.245    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.259    radius for radial grids                                 
   RDEPT  =    2.115    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    6 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -1033.6933   2.0000                                         
     2  0  0.50       -56.7526   2.0000                                         
     2  1  1.50       -28.6721   6.0000                                         
     3  0  0.50        -2.7440   1.0000                                         
     3  1  0.50        -1.3606   0.0000                                         
     3  2  1.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0     -2.7439560     23  2.200                                             
     0     27.2116520     23  2.200                                             
     1     -1.3605826     23  2.200                                             
     2     -1.3605826     23  2.200                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE Os 17Jan2003                  
   SHA256 =  cc4a7099389617cb702da1e59e64c00a2b5949ab1219928e71a6900a9f54845b Os
   COPYR  = (c) Copyright 17Jan2003 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =Os: 6s5d                                                             
   LEXCH  = PE                                                                  
   EATOM  =   417.5999 eV,   30.6927 Ry                                         
                                                                                
   TITEL  = PAW_PBE Os 17Jan2003                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.250    partial core radius                                     
   POMASS =  190.200; ZVAL   =    8.000    mass and valenz                      
   RCORE  =    2.700    outmost cutoff radius                                   
   RWIGS  =    2.670; RWIGS  =    1.413    wigner-seitz radius (au A)           
   ENMAX  =  228.022; ENMIN  =  171.017 eV                                      
   RCLOC  =    2.004    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  365.080                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.766    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.738    radius for radial grids                                 
   RDEPT  =    2.220    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   16 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -73844.2437   2.0000                                         
     2  0  0.50    -12856.6893   2.0000                                         
     2  1  1.50    -11191.7995   6.0000                                         
     3  0  0.50     -2990.1422   2.0000                                         
     3  1  1.50     -2501.5221   6.0000                                         
     3  2  2.50     -1956.5818  10.0000                                         
     4  0  0.50      -629.1606   2.0000                                         
     4  1  1.50      -468.9548   6.0000                                         
     4  2  2.50      -270.2868  10.0000                                         
     4  3  3.50       -49.5699  14.0000                                         
     5  0  0.50       -89.1521   2.0000                                         
     5  1  1.50       -48.6063   6.0000                                         
     5  2  2.50        -4.7055   7.0000                                         
     6  0  0.50        -5.4288   1.0000                                         
     6  1  1.50        -2.7212   0.0000                                         
     5  3  2.50        -6.8029   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2     -4.7055230     23  2.500                                             
     2     -6.0661056     23  2.500                                             
     0     -5.4288441     23  2.500                                             
     0      3.7338294     23  2.500                                             
     1     -2.7211652     23  2.700                                             
     1     27.2116520     23  2.700                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE Ba_sv 06Sep2000               
   SHA256 =  db99e82e473f9273fc04f241d4a23dc413358649e2d1724098d22351b75b003b Ba
   COPYR  = (c) Copyright 06Sep2000 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =Ba: 5s5p6s                                                           
   LEXCH  = PE                                                                  
   EATOM  =   700.8560 eV,   51.5115 Ry                                         
                                                                                
   TITEL  = PAW_PBE Ba_sv 06Sep2000                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.400    partial core radius                                     
   POMASS =  137.327; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    2.800    outmost cutoff radius                                   
   RWIGS  =    3.740; RWIGS  =    1.979    wigner-seitz radius (au A)           
   ENMAX  =  187.181; ENMIN  =  140.386 eV                                      
   RCLOC  =    2.516    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  351.165                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.865    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.976    radius for radial grids                                 
   RDEPT  =    2.289    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   13 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -37249.5946   2.0000                                         
     2  0  0.50     -5887.1925   2.0000                                         
     2  1  1.50     -5278.3977   6.0000                                         
     3  0  0.50     -1242.7293   2.0000                                         
     3  1  1.50     -1047.6609   6.0000                                         
     3  2  2.50      -764.6158  10.0000                                         
     4  0  0.50      -243.8228   2.0000                                         
     4  1  1.50      -180.9218   6.0000                                         
     4  2  2.50       -89.6477  10.0000                                         
     5  0  0.50       -33.6549   2.0000                                         
     6  0  0.50        -3.2247   1.9900                                         
     5  1  1.50       -18.7193   6.0000                                         
     5  2  2.50        -2.0115   0.0100                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -33.6549039     23  2.800                                             
     0     -3.2246942     23  2.800                                             
     1    -18.7193050     23  2.700                                             
     1     27.2116520     23  2.700                                             
     2     -2.0115002     23  2.700                                             
     2      0.3057420     23  2.700                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE O 08Apr2002                   
   SHA256 =  818f92134a0a090dccd8ba1447fa70422a3b330e708bb4f08108d8ae51209ddf O/
   COPYR  = (c) Copyright 08Apr2002 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =O: s2p4                                                              
   LEXCH  = PE                                                                  
   EATOM  =   432.3788 eV,   31.7789 Ry                                         
                                                                                
   TITEL  = PAW_PBE O 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   16.000; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    1.520    outmost cutoff radius                                   
   RWIGS  =    1.550; RWIGS  =    0.820    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  605.392                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.553    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.550    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -514.6923   2.0000                                         
     2  0  0.50       -23.9615   2.0000                                         
     2  1  0.50        -9.0305   4.0000                                         
     3  2  1.50        -9.5241   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -23.9615318     23  1.200                                             
     0     -9.5240782     23  1.200                                             
     1     -9.0304911     23  1.520                                             
     1      8.1634956     23  1.520                                             
     2     -9.5240782      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 17.01
 optimisation between [QCUT,QGAM] = [ 12.42, 25.00] = [ 43.16,175.03] Ry 
 Optimized for a Real-space Cutoff    1.23 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    12.415    45.123    0.31E-04    0.81E-04    0.10E-06
   0      9    12.415    12.364    0.25E-04    0.56E-04    0.77E-07
   1      9    12.415     8.302    0.55E-04    0.26E-04    0.21E-07
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 13.98
 optimisation between [QCUT,QGAM] = [ 12.45, 25.03] = [ 43.38,175.46] Ry 
 Optimized for a Real-space Cutoff    1.61 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   2     11    12.446   152.873    0.12E-03    0.10E-03    0.11E-05
   2     11    12.446   151.010    0.12E-03    0.10E-03    0.11E-05
   0     12    12.446    72.114    0.39E-04    0.17E-05    0.27E-06
   0     12    12.446    44.596    0.34E-04    0.16E-05    0.25E-06
   1     12    12.446    13.742    0.80E-04    0.69E-05    0.91E-06
   1     12    12.446     8.461    0.59E-04    0.59E-05    0.65E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 13.42
 optimisation between [QCUT,QGAM] = [ 12.48, 25.09] = [ 43.60,176.28] Ry 
 Optimized for a Real-space Cutoff    1.56 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0     12    12.478    13.244    0.30E-04    0.22E-04    0.29E-06
   0     12    12.478    14.240    0.46E-04    0.37E-04    0.41E-06
   1     11    12.478     4.828    0.23E-04    0.85E-05    0.32E-06
   1     11    12.478     3.934    0.89E-04    0.38E-05    0.96E-06
   2     11    12.478    87.714    0.11E-03    0.31E-03    0.12E-05
   2     11    12.478    59.874    0.10E-03    0.30E-03    0.11E-05
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 24.76
 optimisation between [QCUT,QGAM] = [ 12.38, 25.00] = [ 42.90,175.06] Ry 
 Optimized for a Real-space Cutoff    1.16 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    12.378    20.381    0.16E-03    0.67E-05    0.31E-06
   0      9    12.378    15.268    0.17E-03    0.81E-05    0.33E-06
   1      8    12.378     5.964    0.20E-03    0.16E-03    0.30E-06
   1      8    12.378     5.382    0.18E-03    0.14E-03    0.26E-06
  PAW_PBE Na 08Apr2002                  :
 energy of atom  1       EATOM=   -5.1581
 kinetic energy error for atom=    0.0000 (will be added to EATOM!!)
  PAW_PBE Os 17Jan2003                  :
 energy of atom  2       EATOM= -417.5999
 kinetic energy error for atom=    0.0009 (will be added to EATOM!!)
  PAW_PBE Ba_sv 06Sep2000               :
 energy of atom  3       EATOM= -700.8560
 kinetic energy error for atom=    0.0003 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  4       EATOM= -432.3788
 kinetic energy error for atom=    0.0168 (will be added to EATOM!!)
 
  
 Occupation matrix control coded by Prof. Graeme Watson 
 at Trinity College Dublin
  
 Occupation set for the following atoms 
  
 
 POSCAR: BNOO                                    
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000

 VTST: version 3.1, (03/28/14)

 CHAIN: initializing optimizer
 
 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN            0
 
 POSCAR: BNOO                                    
  positions in direct lattice
  velocities in cartesian coordinates
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.500  0.250- 153 2.27 157 2.27  93 2.28  89 2.28 121 2.28 125 2.28  33 3.62  41 3.62
                            45 3.62  37 3.62  49 3.62  61 3.62  53 3.62  57 3.62
   2  0.500  1.000  0.250- 158 2.27 154 2.27  90 2.28  94 2.28 126 2.28 122 2.28  58 3.62  54 3.62
                            50 3.62  38 3.62  62 3.62  46 3.62  42 3.63  34 3.63
   3  0.500  1.000  0.750- 155 2.27 159 2.27  95 2.27  91 2.28 123 2.28 127 2.28  51 3.62  59 3.62
                            63 3.62  43 3.62  55 3.62  35 3.62  47 3.62  39 3.62
   4  1.000  0.500  0.750- 160 2.27 156 2.27  92 2.28  96 2.28 128 2.28 124 2.28  40 3.62  48 3.62
                            56 3.62  44 3.62  36 3.62  64 3.62  60 3.62  52 3.62
   5  0.250  0.250  1.000- 132 2.27 133 2.27  65 2.28  69 2.28 146 2.28 149 2.28  54 3.62  33 3.62
                            61 3.62  42 3.62  59 3.62  39 3.62  52 3.62  48 3.62
   6  0.750  0.750  1.000- 131 2.27 134 2.27  70 2.28  66 2.28 150 2.28 145 2.28  41 3.62  34 3.62
                            62 3.62  53 3.62  47 3.62  51 3.62  40 3.62  60 3.62
   7  0.750  0.750  0.500- 135 2.27 130 2.27 151 2.28  67 2.28  71 2.28 148 2.28  46 3.62  50 3.62
                            57 3.62  37 3.62  35 3.62  63 3.62  44 3.62  56 3.62
   8  0.250  0.250  0.500- 136 2.27 129 2.27  72 2.28 147 2.28  68 2.28 152 2.28  38 3.62  58 3.62
                            49 3.62  45 3.62  55 3.62  43 3.62  64 3.62  36 3.62
   9  0.750  0.250  1.000- 108 2.27 109 2.27 138 2.28 141 2.28  73 2.28  77 2.28  62 3.62  42 3.62
                            33 3.62  53 3.62  39 3.63  51 3.63  60 3.63  48 3.63
  10  0.250  0.750  1.000- 107 2.27 110 2.27 142 2.28 137 2.28  78 2.28  74 2.28  41 3.62  34 3.62
                            54 3.62  61 3.62  47 3.63  59 3.63  40 3.63  52 3.63
  11  0.250  0.750  0.500- 111 2.27 106 2.28 143 2.28 140 2.28  75 2.28  79 2.28  46 3.62  58 3.62
                            37 3.62  49 3.62  35 3.63  55 3.63  44 3.63  64 3.63
  12  0.750  0.250  0.500- 112 2.27 105 2.28 139 2.28 144 2.28  80 2.28  76 2.28  50 3.62  38 3.62
                            57 3.62  45 3.62  63 3.63  43 3.63  36 3.63  56 3.63
  13  0.000  0.000  0.250-  81 2.27  85 2.27 117 2.28 114 2.28  98 2.28 101 2.28  54 3.62  62 3.62
                            45 3.62  37 3.63  58 3.63  33 3.63  50 3.63  41 3.63
  14  0.500  0.500  0.250-  86 2.27  82 2.27 113 2.28 118 2.28 102 2.28  97 2.28  42 3.62  34 3.62
                            49 3.62  57 3.62  61 3.62  38 3.62  53 3.62  46 3.62
  15  0.500  0.500  0.750-  83 2.27  87 2.27 119 2.28 100 2.28 116 2.28 103 2.28  47 3.62  56 3.62
                            60 3.62  64 3.62  39 3.62  52 3.62  35 3.62  43 3.62
  16  1.000  1.000  0.750-  88 2.27  84 2.27 115 2.28 104 2.28 120 2.28  99 2.28  51 3.62  48 3.62
                            59 3.62  40 3.62  44 3.62  36 3.62  63 3.62  55 3.62
  17  0.000  1.000  0.000-  88 1.90  81 1.90  70 1.91  65 1.91  78 1.91  73 1.91  62 3.62  54 3.62
                            41 3.62  33 3.62  51 3.63  59 3.63  40 3.63  48 3.63
  18  0.500  0.500  0.000-  87 1.90  82 1.90  66 1.91  69 1.91  74 1.91  77 1.91  34 3.62  42 3.62
                            61 3.62  53 3.62  39 3.63  47 3.63  52 3.63  60 3.63
  19  0.500  0.500  0.500-  83 1.90  86 1.90  67 1.91  72 1.91  75 1.91  80 1.91  46 3.62  38 3.62
                            57 3.62  49 3.62  35 3.63  43 3.63  56 3.63  64 3.63
  20  0.000  1.000  0.500-  84 1.90  85 1.90  71 1.91  68 1.91  79 1.91  76 1.91  58 3.62  50 3.62
                            37 3.62  45 3.62  55 3.63  63 3.63  44 3.63  36 3.63
  21  0.750  0.250  0.250- 109 1.90 105 1.90  94 1.91  89 1.91 101 1.91  97 1.91  62 3.62  42 3.62
                            38 3.62  50 3.62  33 3.62  53 3.62  45 3.62  57 3.63
  22  0.250  0.750  0.250- 110 1.90 106 1.90  90 1.91  93 1.91 102 1.91  98 1.91  54 3.62  34 3.62
                            58 3.62  46 3.62  61 3.62  41 3.62  37 3.63  49 3.63
  23  0.250  0.750  0.750- 107 1.90 111 1.90  91 1.91  96 1.91 103 1.91  99 1.91  59 3.62  47 3.62
                            40 3.62  35 3.62  55 3.62  64 3.62  52 3.62  44 3.62
  24  0.750  0.250  0.750- 108 1.90 112 1.90  95 1.91  92 1.91 100 1.91 104 1.91  51 3.62  39 3.62
                            43 3.62  48 3.62  63 3.62  60 3.62  56 3.62  36 3.62
  25  0.250  0.250  0.250- 133 1.90 129 1.90 117 1.91 113 1.91 126 1.91 121 1.91  54 3.62  42 3.62
                            38 3.62  58 3.62  33 3.62  61 3.62  49 3.63  45 3.63
  26  0.750  0.750  0.250- 134 1.90 130 1.90 118 1.91 122 1.91 114 1.91 125 1.91  34 3.62  62 3.62
                            46 3.62  50 3.62  41 3.63  53 3.63  37 3.63  57 3.63
  27  0.750  0.750  0.750- 131 1.90 135 1.90 119 1.91 115 1.91 123 1.91 128 1.91  51 3.62  47 3.62
                            40 3.62  35 3.62  56 3.62  60 3.62  63 3.62  44 3.62
  28  0.250  0.250  0.750- 136 1.90 132 1.90 116 1.91 120 1.91 127 1.91 124 1.91  59 3.62  39 3.62
                            48 3.62  43 3.62  64 3.62  52 3.62  55 3.62  36 3.62
  29  0.000  0.500  0.000- 160 1.90 153 1.90 137 1.91 141 1.91 149 1.91 145 1.91  41 3.62  33 3.62
                            61 3.62  53 3.62  40 3.63  48 3.63  60 3.63  52 3.63
  30  0.500  1.000  0.000- 159 1.90 154 1.90 142 1.91 138 1.91 150 1.91 146 1.91  54 3.62  62 3.62
                            34 3.62  42 3.62  59 3.63  51 3.63  39 3.63  47 3.63
  31  0.500  1.000  0.500- 155 1.90 158 1.90 143 1.91 139 1.91 151 1.91 147 1.91  50 3.62  58 3.62
                            46 3.62  38 3.62  63 3.63  55 3.63  35 3.63  43 3.63
  32  0.000  0.500  0.500- 156 1.90 157 1.90 140 1.91 144 1.91 148 1.91 152 1.91  37 3.62  57 3.62
                            45 3.62  49 3.62  44 3.63  36 3.63  64 3.63  56 3.63
  33  1.000  0.250  0.125- 149 2.96 141 2.96  73 2.96  65 2.96 121 2.96  89 2.96 101 2.96 117 2.97
                           153 2.97  81 2.97 109 2.97 133 2.97  29 3.62  17 3.62   5 3.62   9 3.62
  34  0.500  0.750  0.125-  74 2.96  66 2.96 150 2.96 142 2.96 102 2.96 118 2.96 122 2.97  82 2.97
                            90 2.97 110 2.97 134 2.97 154 2.97  18 3.62  30 3.62  10 3.62   6 3.62
  35  0.500  0.750  0.625- 123 2.96 119 2.96 103 2.96  91 2.96 135 2.96 155 2.97 111 2.97  83 2.97
                           151 2.97  67 2.97 143 2.97  75 2.97  27 3.62   3 3.62  15 3.62  23 3.62
  36  0.000  0.250  0.625- 124 2.96 120 2.96  92 2.96 104 2.96 136 2.97 156 2.97  84 2.97 112 2.97
                           152 2.97  68 2.97 144 2.97  76 2.97  28 3.62   4 3.62  16 3.62  24 3.62
  37  0.000  0.750  0.375- 148 2.96  79 2.96 140 2.96  71 2.96 125 2.96  93 2.96  98 2.97 114 2.97
                           157 2.97  85 2.97 106 2.97 130 2.97  32 3.62  20 3.62  11 3.62   7 3.62
  38  0.500  0.250  0.375-  80 2.96 147 2.96 139 2.96  72 2.96  97 2.96 126 2.96  94 2.97 113 2.97
                           158 2.97  86 2.97 105 2.97 129 2.97  31 3.62  19 3.62  12 3.62   8 3.62
  39  0.500  0.250  0.875- 116 2.96 127 2.96 100 2.96  95 2.96 132 2.96 108 2.97  87 2.97 159 2.97
                            69 2.97 146 2.97  77 2.97 138 2.97  28 3.62  15 3.62   3 3.62  24 3.62
  40  1.000  0.750  0.875- 128 2.96 115 2.96  96 2.96  99 2.96 131 2.97 160 2.97 107 2.97  88 2.97
                           145 2.97  70 2.97 137 2.97  78 2.97  27 3.62   4 3.62  16 3.62  23 3.62
  41  0.000  0.750  0.125- 145 2.96 137 2.96  78 2.96  70 2.96 125 2.96  93 2.96  98 2.96 114 2.97
                           153 2.97  81 2.97 110 2.97 134 2.97  29 3.62  17 3.62  10 3.62   6 3.62
  42  0.500  0.250  0.125-  77 2.96  69 2.96 146 2.96 138 2.96  97 2.96 113 2.96 126 2.96  94 2.97
                            82 2.97 109 2.97 133 2.97 154 2.97  18 3.62  30 3.62   9 3.62   5 3.62
  43  0.500  0.250  0.625- 127 2.96 116 2.96 100 2.96  95 2.96 136 2.96 155 2.97 112 2.97  83 2.97
                           147 2.97  72 2.97 139 2.97  80 2.97  28 3.62   3 3.62  15 3.62  24 3.62
  44  1.000  0.750  0.625- 128 2.96 115 2.96  96 2.96  99 2.96 135 2.97 156 2.97  84 2.97 148 2.97
                           111 2.97  71 2.97 140 2.97  79 2.97  27 3.62   4 3.62  16 3.62  23 3.62
  45  1.000  0.250  0.375- 152 2.96 144 2.96  76 2.96  68 2.96 121 2.96  89 2.96 101 2.97 117 2.97
                           157 2.97  85 2.97 105 2.97 129 2.97  32 3.62  20 3.62   8 3.62  12 3.62
  46  0.500  0.750  0.375- 151 2.96  75 2.96 143 2.96  67 2.96 102 2.96 122 2.97  90 2.97 118 2.97
                           158 2.97  86 2.97 106 2.97 130 2.97  31 3.62  19 3.62  11 3.62   7 3.62
  47  0.500  0.750  0.875- 119 2.96 123 2.96 103 2.96  91 2.96 131 2.96  87 2.97 107 2.97 159 2.97
                            66 2.97 150 2.97  74 2.97 142 2.97  27 3.62  15 3.62   3 3.62  23 3.62
  48  0.000  0.250  0.875- 124 2.96 120 2.96  92 2.96 104 2.96 132 2.97 160 2.97  88 2.97 108 2.97
                           149 2.97  65 2.97 141 2.97  73 2.97  28 3.62   4 3.62  16 3.62  24 3.62
  49  0.250  0.500  0.375- 152 2.96  75 2.96  72 2.96 140 2.96 121 2.96  93 2.97 102 2.97 113 2.97
                           157 2.97  86 2.97 106 2.97 129 2.97  32 3.62  19 3.62   8 3.62  11 3.62
  50  0.750  0.000  0.375- 151 2.96  76 2.96 139 2.96  71 2.96 101 2.96  94 2.97 122 2.97 114 2.97
                           158 2.97 105 2.97  85 2.97 130 2.97  31 3.62  20 3.62  12 3.62   7 3.62
  51  0.750  1.000  0.875- 123 2.96 115 2.96 104 2.96  95 2.96 131 2.96 159 2.97 108 2.97  88 2.97
                           150 2.97  70 2.97 138 2.97  73 2.97  27 3.62   3 3.62  16 3.62  24 3.62
  52  0.250  0.500  0.875- 124 2.96 116 2.96 103 2.96  96 2.96 132 2.97  87 2.97 160 2.97 107 2.97
                           149 2.97  69 2.97  74 2.97 137 2.97  28 3.62  15 3.62   4 3.62  23 3.62
  53  0.750  0.500  0.125-  77 2.96 145 2.96  66 2.96 141 2.96  97 2.96  89 2.96 125 2.96 118 2.97
                            82 2.97 153 2.97 109 2.97 134 2.97  18 3.62  29 3.62   9 3.62   6 3.62
  54  0.250  1.000  0.125- 146 2.96  78 2.96  65 2.96 142 2.96  98 2.96 117 2.96 126 2.96  90 2.96
                            81 2.97 154 2.97 110 2.97 133 2.97  30 3.62  17 3.62   5 3.62  10 3.62
  55  0.250  0.000  0.625- 127 2.96 120 2.96  91 2.96  99 2.96 136 2.96 155 2.97 111 2.97 147 2.97
                            84 2.97  68 2.97 143 2.97  79 2.97  28 3.62   3 3.62  16 3.62  23 3.62
  56  0.750  0.500  0.625- 128 2.96 119 2.96  92 2.96 100 2.96 135 2.97 156 2.97  83 2.97 112 2.97
                           148 2.97  67 2.97 144 2.97  80 2.97  27 3.62   4 3.62  15 3.62  24 3.62
  57  0.750  0.500  0.375-  80 2.96 148 2.96 144 2.96  67 2.96 125 2.96  89 2.97  97 2.97 118 2.97
                           157 2.97  86 2.97 105 2.97 130 2.97  32 3.62  19 3.62  12 3.62   7 3.62
  58  0.250  1.000  0.375- 147 2.96  79 2.96 143 2.96  68 2.96  98 2.96 126 2.97  90 2.97 117 2.97
                           158 2.97 106 2.97  85 2.97 129 2.97  31 3.62  20 3.62   8 3.62  11 3.62
  59  0.250  0.000  0.875- 127 2.96 120 2.96  99 2.96  91 2.96 132 2.96 159 2.97 107 2.97  88 2.97
                           146 2.97  65 2.97 142 2.97  78 2.97  28 3.62   3 3.62  16 3.62  23 3.62
  60  0.750  0.500  0.875- 128 2.96 119 2.96 100 2.96  92 2.96 131 2.97  87 2.97 160 2.97 108 2.97
                           145 2.97  66 2.97  77 2.97 141 2.97  27 3.62   4 3.62  15 3.62  24 3.62
  61  0.250  0.500  0.125-  74 2.96 149 2.96  69 2.96 137 2.96 121 2.96 102 2.96  93 2.96 113 2.97
                            82 2.97 153 2.97 110 2.97 133 2.97  18 3.62  29 3.62   5 3.62  10 3.62
  62  0.750  0.000  0.125-  73 2.96 150 2.96 138 2.96  70 2.96 101 2.96 114 2.96 122 2.96  94 2.96
                            81 2.97 109 2.97 154 2.97 134 2.97  30 3.62  17 3.62   9 3.62   6 3.62
  63  0.750  1.000  0.625- 123 2.96 115 2.96  95 2.96 104 2.96 135 2.96 155 2.97 112 2.97 151 2.97
                            84 2.97  71 2.97 139 2.97  76 2.97  27 3.62   3 3.62  16 3.62  24 3.62
  64  0.250  0.500  0.625- 124 2.96 116 2.96  96 2.96 103 2.96 136 2.97 156 2.97  83 2.97 111 2.97
                           152 2.97  72 2.97 140 2.97  75 2.97  28 3.62   4 3.62  15 3.62  23 3.62
  65  0.114  0.114  0.000-  17 1.91   5 2.28  54 2.96  33 2.96  59 2.97  48 2.97
  66  0.614  0.614  0.000-  18 1.91   6 2.28  34 2.96  53 2.96  47 2.97  60 2.97
  67  0.614  0.614  0.500-  19 1.91   7 2.28  46 2.96  57 2.96  35 2.97  56 2.97
  68  0.114  0.114  0.500-  20 1.91   8 2.28  58 2.96  45 2.96  55 2.97  36 2.97
  69  0.386  0.386  0.000-  18 1.91   5 2.28  42 2.96  61 2.96  39 2.97  52 2.97
  70  0.886  0.886  0.000-  17 1.91   6 2.28  62 2.96  41 2.96  51 2.97  40 2.97
  71  0.886  0.886  0.500-  20 1.91   7 2.28  50 2.96  37 2.96  63 2.97  44 2.97
  72  0.386  0.386  0.500-  19 1.91   8 2.28  38 2.96  49 2.96  43 2.97  64 2.97
  73  0.886  0.114  0.000-  17 1.91   9 2.28  62 2.96  33 2.96  51 2.97  48 2.97
  74  0.386  0.614  0.000-  18 1.91  10 2.28  34 2.96  61 2.96  47 2.97  52 2.97
  75  0.386  0.614  0.500-  19 1.91  11 2.28  46 2.96  49 2.96  35 2.97  64 2.97
  76  0.886  0.114  0.500-  20 1.91  12 2.28  50 2.96  45 2.96  63 2.97  36 2.97
  77  0.614  0.386  0.000-  18 1.91   9 2.28  42 2.96  53 2.96  39 2.97  60 2.97
  78  0.114  0.886  0.000-  17 1.91  10 2.28  54 2.96  41 2.96  59 2.97  40 2.97
  79  0.114  0.886  0.500-  20 1.91  11 2.28  58 2.96  37 2.96  55 2.97  44 2.97
  80  0.614  0.386  0.500-  19 1.91  12 2.28  38 2.96  57 2.96  43 2.97  56 2.97
  81  0.000  0.000  0.114-  17 1.90  13 2.27  62 2.97  54 2.97  33 2.97  41 2.97
  82  0.500  0.500  0.114-  18 1.90  14 2.27  42 2.97  34 2.97  61 2.97  53 2.97
  83  0.500  0.500  0.614-  19 1.90  15 2.27  64 2.97  56 2.97  35 2.97  43 2.97
  84  0.000  0.000  0.614-  20 1.90  16 2.27  55 2.97  36 2.97  44 2.97  63 2.97
  85  0.000  0.000  0.386-  20 1.90  13 2.27  58 2.97  50 2.97  45 2.97  37 2.97
  86  0.500  0.500  0.386-  19 1.90  14 2.27  38 2.97  49 2.97  46 2.97  57 2.97
  87  0.500  0.500  0.886-  18 1.90  15 2.27  47 2.97  39 2.97  52 2.97  60 2.97
  88  0.000  0.000  0.886-  17 1.90  16 2.27  59 2.97  51 2.97  48 2.97  40 2.97
  89  0.864  0.364  0.250-  21 1.91   1 2.28  33 2.96  45 2.96  53 2.96  57 2.97
  90  0.364  0.864  0.250-  22 1.91   2 2.28  54 2.96  58 2.97  34 2.97  46 2.97
  91  0.364  0.864  0.750-  23 1.91   3 2.28  59 2.96  55 2.96  47 2.96  35 2.96
  92  0.864  0.364  0.750-  24 1.91   4 2.28  48 2.96  36 2.96  56 2.96  60 2.96
  93  0.136  0.636  0.250-  22 1.91   1 2.28  41 2.96  37 2.96  61 2.96  49 2.97
  94  0.636  0.136  0.250-  21 1.91   2 2.28  62 2.96  50 2.97  38 2.97  42 2.97
  95  0.636  0.136  0.750-  24 1.91   3 2.27  51 2.96  63 2.96  43 2.96  39 2.96
  96  0.136  0.636  0.750-  23 1.91   4 2.28  40 2.96  44 2.96  64 2.96  52 2.96
  97  0.636  0.364  0.250-  21 1.91  14 2.28  42 2.96  38 2.96  53 2.96  57 2.97
  98  0.136  0.864  0.250-  22 1.91  13 2.28  54 2.96  58 2.96  41 2.96  37 2.97
  99  0.136  0.864  0.750-  23 1.91  16 2.28  59 2.96  40 2.96  55 2.96  44 2.96
 100  0.636  0.364  0.750-  24 1.91  15 2.28  39 2.96  60 2.96  43 2.96  56 2.96
 101  0.864  0.136  0.250-  21 1.91  13 2.28  62 2.96  50 2.96  33 2.96  45 2.97
 102  0.364  0.636  0.250-  22 1.91  14 2.28  34 2.96  46 2.96  61 2.96  49 2.97
 103  0.364  0.636  0.750-  23 1.91  15 2.28  47 2.96  52 2.96  64 2.96  35 2.96
 104  0.864  0.136  0.750-  24 1.91  16 2.28  51 2.96  48 2.96  63 2.96  36 2.96
 105  0.750  0.250  0.364-  21 1.90  12 2.28  50 2.97  38 2.97  45 2.97  57 2.97
 106  0.250  0.750  0.364-  22 1.90  11 2.28  58 2.97  46 2.97  37 2.97  49 2.97
 107  0.250  0.750  0.864-  23 1.90  10 2.27  47 2.97  59 2.97  40 2.97  52 2.97
 108  0.750  0.250  0.864-  24 1.90   9 2.27  39 2.97  51 2.97  60 2.97  48 2.97
 109  0.750  0.250  0.136-  21 1.90   9 2.27  62 2.97  42 2.97  33 2.97  53 2.97
 110  0.250  0.750  0.136-  22 1.90  10 2.27  54 2.97  34 2.97  41 2.97  61 2.97
 111  0.250  0.750  0.636-  23 1.90  11 2.27  35 2.97  55 2.97  64 2.97  44 2.97
 112  0.750  0.250  0.636-  24 1.90  12 2.27  43 2.97  63 2.97  56 2.97  36 2.97
 113  0.364  0.364  0.250-  25 1.91  14 2.28  42 2.96  38 2.97  61 2.97  49 2.97
 114  0.864  0.864  0.250-  26 1.91  13 2.28  62 2.96  50 2.97  41 2.97  37 2.97
 115  0.864  0.864  0.750-  27 1.91  16 2.28  51 2.96  40 2.96  44 2.96  63 2.96
 116  0.364  0.364  0.750-  28 1.91  15 2.28  39 2.96  52 2.96  64 2.96  43 2.96
 117  0.136  0.136  0.250-  25 1.91  13 2.28  54 2.96  58 2.97  33 2.97  45 2.97
 118  0.636  0.636  0.250-  26 1.91  14 2.28  34 2.96  53 2.97  46 2.97  57 2.97
 119  0.636  0.636  0.750-  27 1.91  15 2.28  47 2.96  60 2.96  56 2.96  35 2.96
 120  0.136  0.136  0.750-  28 1.91  16 2.28  59 2.96  48 2.96  55 2.96  36 2.96
 121  0.136  0.364  0.250-  25 1.91   1 2.28  33 2.96  45 2.96  61 2.96  49 2.96
 122  0.636  0.864  0.250-  26 1.91   2 2.28  62 2.96  50 2.97  34 2.97  46 2.97
 123  0.636  0.864  0.750-  27 1.91   3 2.28  51 2.96  63 2.96  47 2.96  35 2.96
 124  0.136  0.364  0.750-  28 1.91   4 2.28  48 2.96  36 2.96  64 2.96  52 2.96
 125  0.864  0.636  0.250-  26 1.91   1 2.28  41 2.96  37 2.96  53 2.96  57 2.96
 126  0.364  0.136  0.250-  25 1.91   2 2.28  54 2.96  42 2.96  38 2.96  58 2.97
 127  0.364  0.136  0.750-  28 1.91   3 2.28  59 2.96  55 2.96  43 2.96  39 2.96
 128  0.864  0.636  0.750-  27 1.91   4 2.28  40 2.96  44 2.96  56 2.96  60 2.96
 129  0.250  0.250  0.364-  25 1.90   8 2.27  58 2.97  38 2.97  49 2.97  45 2.97
 130  0.750  0.750  0.364-  26 1.90   7 2.27  46 2.97  50 2.97  37 2.97  57 2.97
 131  0.750  0.750  0.864-  27 1.90   6 2.27  47 2.96  51 2.96  40 2.97  60 2.97
 132  0.250  0.250  0.864-  28 1.90   5 2.27  59 2.96  39 2.96  48 2.97  52 2.97
 133  0.250  0.250  0.136-  25 1.90   5 2.27  54 2.97  42 2.97  33 2.97  61 2.97
 134  0.750  0.750  0.136-  26 1.90   6 2.27  34 2.97  62 2.97  41 2.97  53 2.97
 135  0.750  0.750  0.636-  27 1.90   7 2.27  35 2.96  63 2.96  56 2.97  44 2.97
 136  0.250  0.250  0.636-  28 1.90   8 2.27  43 2.96  55 2.96  64 2.97  36 2.97
 137  0.114  0.614  0.000-  29 1.91  10 2.28  41 2.96  61 2.96  40 2.97  52 2.97
 138  0.614  0.114  0.000-  30 1.91   9 2.28  62 2.96  42 2.96  51 2.97  39 2.97
 139  0.614  0.114  0.500-  31 1.91  12 2.28  50 2.96  38 2.96  63 2.97  43 2.97
 140  0.114  0.614  0.500-  32 1.91  11 2.28  37 2.96  49 2.96  44 2.97  64 2.97
 141  0.886  0.386  0.000-  29 1.91   9 2.28  33 2.96  53 2.96  48 2.97  60 2.97
 142  0.386  0.886  0.000-  30 1.91  10 2.28  54 2.96  34 2.96  59 2.97  47 2.97
 143  0.386  0.886  0.500-  31 1.91  11 2.28  46 2.96  58 2.96  55 2.97  35 2.97
 144  0.886  0.386  0.500-  32 1.91  12 2.28  57 2.96  45 2.96  36 2.97  56 2.97
 145  0.886  0.614  0.000-  29 1.91   6 2.28  41 2.96  53 2.96  40 2.97  60 2.97
 146  0.386  0.114  0.000-  30 1.91   5 2.28  54 2.96  42 2.96  59 2.97  39 2.97
 147  0.386  0.114  0.500-  31 1.91   8 2.28  58 2.96  38 2.96  55 2.97  43 2.97
 148  0.886  0.614  0.500-  32 1.91   7 2.28  37 2.96  57 2.96  44 2.97  56 2.97
 149  0.114  0.386  0.000-  29 1.91   5 2.28  33 2.96  61 2.96  48 2.97  52 2.97
 150  0.614  0.886  0.000-  30 1.91   6 2.28  62 2.96  34 2.96  51 2.97  47 2.97
 151  0.614  0.886  0.500-  31 1.91   7 2.28  50 2.96  46 2.96  63 2.97  35 2.97
 152  0.114  0.386  0.500-  32 1.91   8 2.28  45 2.96  49 2.96  36 2.97  64 2.97
 153  0.000  0.500  0.114-  29 1.90   1 2.27  33 2.97  41 2.97  61 2.97  53 2.97
 154  0.500  0.000  0.114-  30 1.90   2 2.27  54 2.97  62 2.97  42 2.97  34 2.97
 155  0.500  0.000  0.614-  31 1.90   3 2.27  63 2.97  55 2.97  43 2.97  35 2.97
 156  0.000  0.500  0.614-  32 1.90   4 2.27  36 2.97  44 2.97  64 2.97  56 2.97
 157  0.000  0.500  0.386-  32 1.90   1 2.27  45 2.97  37 2.97  57 2.97  49 2.97
 158  0.500  0.000  0.386-  31 1.90   2 2.27  58 2.97  50 2.97  38 2.97  46 2.97
 159  0.500  1.000  0.886-  30 1.90   3 2.27  59 2.97  51 2.97  47 2.97  39 2.97
 160  0.000  0.500  0.886-  29 1.90   4 2.27  48 2.97  40 2.97  52 2.97  60 2.97
 

IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.

 
 
 KPOINTS: K-Points                                

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      4 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.500000  0.000000 -0.000000      1.000000
 -0.000000  0.500000 -0.000000      1.000000
  0.500000  0.500000 -0.000000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.042218  0.000004  0.000000      1.000000
  0.000004  0.042218  0.000000      1.000000
  0.042223  0.042222  0.000000      1.000000
 


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =      4   k-points in BZ     NKDIM =      4   number of bands    NBANDS=   1248
   number of dos      NEDOS =   4001   number of ions     NIONS =    160
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   9631   max aug-charges    IRDMAX=  34689
   dimension x,y,z NGX =    96 NGY =   96 NGZ =  140
   dimension x,y,z NGXF=   192 NGYF=  192 NGZF=  280
   support grid    NGXF=   192 NGYF=  192 NGZF=  280
   ions per type =              16  16  32  96
   NGX,Y,Z   is equivalent  to a cutoff of  13.48, 13.48, 13.94 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  26.95, 26.95, 27.88 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  BNOO                                    

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      T non collinear calculations
   LSORBIT =      T    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  600.0 eV  44.10 Ry    6.64 a.u.  23.65 23.65 33.34*2*pi/ulx,y,z
   ENINI  =  600.0     initial cutoff
   ENAUG  =  605.4 eV  augmentation charge cutoff
   NELM   =     80;   NELMIN=  4; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = F    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    4 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00025  -0.00025  -0.00025  -0.00025
 Ionic relaxation
   EDIFFG = 0.1E-02   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =     -1    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.321E-26a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  22.99190.20137.33 16.00
  Ionic Valenz
   ZVAL   =   1.00  8.00 10.00  6.00
  Atomic Wigner-Seitz radii
   RWIGS  =   1.76  1.41  1.98  0.82
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00
   NELECT =    1040.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  -5.00;   EMAX   = 10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.20E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      14.63        98.76
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.249080  2.360419 21.227818  1.560201
  Thomas-Fermi vector in A             =   2.383137
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 LDA+U is selected, type is set to LDAUTYPE =  2
   angular momentum for each species LDAUL =    -1    2   -1   -1
   U (eV)           for each species LDAUU =   0.0  0.0  0.0  0.0
   J (eV)           for each species LDAUJ =   0.0  0.0  0.0  0.0
 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 Static calculation
 charge density and potential will be updated during run
 non collinear spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands          728
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      600.00
  volume of cell :     2341.46
      direct lattice vectors                 reciprocal lattice vectors
    11.843201169 -0.001177891 -0.000012923     0.084436631  0.000008397  0.000000094
    -0.001177806 11.843307925 -0.000012483     0.000008398  0.084435870  0.000000088
    -0.000018513 -0.000017488 16.693409471     0.000000065  0.000000063  0.059903880

  length of vectors
    11.843201227 11.843307984 16.693409471     0.084436632  0.084435871  0.059903880


 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.250
   0.04221832  0.00000420  0.00000005       0.250
   0.00000420  0.04221794  0.00000004       0.250
   0.04222251  0.04222213  0.00000009       0.250
 
 k-points in reciprocal lattice and weights: K-Points                                
   0.00000000  0.00000000  0.00000000       0.250
   0.50000000  0.00000000 -0.00000000       0.250
  -0.00000000  0.50000000 -0.00000000       0.250
   0.50000000  0.50000000 -0.00000000       0.250
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000562  0.49999706  0.24998896
   0.49999327  0.99999969  0.25000395
   0.50000567  0.99999512  0.75000499
   0.99999090  0.50000558  0.75000779
   0.24999546  0.24998623  0.99987570
   0.75000089  0.75001213  0.99986330
   0.74997935  0.75001086  0.50013854
   0.25002071  0.24999143  0.50012346
   0.75000586  0.24998611  0.99983939
   0.24999845  0.75001513  0.99984309
   0.25002038  0.75000687  0.50015361
   0.74998047  0.24999093  0.50015814
   0.00000376  0.00000242  0.25000131
   0.49999793  0.49999947  0.25001840
   0.50000741  0.50000388  0.74998444
   0.99999260  0.99999720  0.74999890
   0.00000050  0.99999643  0.00011540
   0.49999762  0.50000239  0.00011176
   0.49999825  0.49999970  0.49989239
   0.00000120  0.99999643  0.49988925
   0.74996684  0.24996356  0.24998531
   0.25003602  0.75003318  0.24998419
   0.25002534  0.75002197  0.75000788
   0.74997053  0.24998005  0.75000855
   0.25003144  0.24996884  0.24998592
   0.74996676  0.75003340  0.24998644
   0.74997526  0.75002068  0.75000828
   0.25002785  0.24997933  0.75000588
   0.00000260  0.50000243  0.00011061
   0.49999812  0.99999825  0.00014450
   0.49999895  0.99999919  0.49987702
   0.00000138  0.50000529  0.49988506
   0.99998356  0.25004616  0.12475064
   0.49998928  0.74991678  0.12473776
   0.50009518  0.75003916  0.62539346
   0.00009140  0.25005058  0.62541851
   0.00001383  0.74997394  0.37525886
   0.50001759  0.24999158  0.37527381
   0.49990379  0.25002852  0.87459228
   0.99990078  0.74994761  0.87456688
   0.00001119  0.74995511  0.12473767
   0.50002431  0.25008197  0.12474275
   0.49990903  0.24995466  0.62540591
   0.99990032  0.74995664  0.62541751
   0.99998465  0.25002827  0.37524792
   0.49998737  0.75000667  0.37529293
   0.50010129  0.74997214  0.87458276
   0.00010442  0.25004749  0.87455364
   0.24999358  0.50000355  0.37525189
   0.74997494  0.00002217  0.37528281
   0.74996658  0.99990215  0.87457064
   0.25001541  0.49989463  0.87457985
   0.74999104  0.49997239  0.12474085
   0.24999360  0.99999457  0.12475307
   0.25005340  0.00009751  0.62539042
   0.75002541  0.50009733  0.62543452
   0.75001166  0.49997850  0.37526154
   0.25002123  0.99998983  0.37527982
   0.25003283  0.00010484  0.87456814
   0.74998863  0.50009663  0.87458392
   0.25000946  0.50000597  0.12474241
   0.75000886  0.00002268  0.12474955
   0.74994084  0.99991162  0.62538885
   0.24997219  0.49989775  0.62543645
   0.11399284  0.11397901  0.00018843
   0.61398703  0.61399552  0.00018863
   0.61398888  0.61399748  0.49981311
   0.11399987  0.11398615  0.49981421
   0.38600773  0.38600441  0.00018689
   0.88600752  0.88601680  0.00018946
   0.88599985  0.88601113  0.49981552
   0.38600404  0.38600492  0.49981355
   0.88601608  0.11396603  0.00018685
   0.38601839  0.61398490  0.00018361
   0.38601879  0.61398521  0.49981629
   0.88601044  0.11397557  0.49982083
   0.61398080  0.38601535  0.00018260
   0.11397880  0.88602387  0.00018694
   0.11398649  0.88601832  0.49981894
   0.61398404  0.38601585  0.49981760
   0.00000069  0.00000487  0.11413054
   0.49999523  0.49999834  0.11414319
   0.49999830  0.50000155  0.61382400
   0.00000344  0.00000415  0.61381250
   0.00000179  0.00000260  0.38588546
   0.49999969  0.49999478  0.38587537
   0.49999925  0.50000089  0.88616262
   0.00000183  0.00000253  0.88617849
   0.86389952  0.36388195  0.24998702
   0.36395320  0.86394734  0.24998900
   0.36415137  0.86415858  0.75000573
   0.86412508  0.36410826  0.75000797
   0.13609978  0.63611431  0.24998561
   0.63604763  0.13604559  0.24999000
   0.63584395  0.13583447  0.75000546
   0.13587842  0.63589567  0.75000677
   0.63602871  0.36389070  0.24998072
   0.13609833  0.86396458  0.24998085
   0.13587625  0.86415826  0.75001186
   0.63583139  0.36412503  0.75001311
   0.86389541  0.13603055  0.24998037
   0.36396922  0.63610755  0.24998179
   0.36416162  0.63587577  0.75001214
   0.86412886  0.13583775  0.75001272
   0.74996194  0.24995866  0.36386973
   0.25003377  0.75004359  0.36386791
   0.25003855  0.75003931  0.86392726
   0.74995876  0.24996209  0.86393277
   0.74996404  0.24995328  0.13610490
   0.25003564  0.75004475  0.13610774
   0.25004054  0.75003150  0.63608811
   0.74995889  0.24996740  0.63608338
   0.36396722  0.36390443  0.24998383
   0.86390729  0.86396378  0.24998252
   0.86410918  0.86414136  0.75001218
   0.36414588  0.36410623  0.75001250
   0.13609013  0.13604226  0.24998394
   0.63603972  0.63609825  0.24998173
   0.63585449  0.63589431  0.75001233
   0.13588988  0.13586200  0.75001189
   0.13610103  0.36388557  0.24999085
   0.63605670  0.86394772  0.24998742
   0.63583848  0.86417569  0.75000879
   0.13586488  0.36412084  0.75000899
   0.86389916  0.63611844  0.24999246
   0.36395174  0.13605723  0.24998410
   0.36416124  0.13582637  0.75000695
   0.86413458  0.63588166  0.75000849
   0.25004031  0.24995664  0.36387819
   0.74996062  0.75004554  0.36387837
   0.74996033  0.75003669  0.86395387
   0.25003727  0.24996470  0.86395421
   0.25003273  0.24995800  0.13609711
   0.74996895  0.75004118  0.13609985
   0.74996122  0.75003184  0.63606202
   0.25003968  0.24996845  0.63606243
   0.11398423  0.61399501  0.00016919
   0.61399037  0.11397400  0.00019158
   0.61399617  0.11398070  0.49982494
   0.11398365  0.61398949  0.49982864
   0.88601602  0.38601147  0.00016839
   0.38601428  0.88602306  0.00019290
   0.38601023  0.88601459  0.49982477
   0.88601563  0.38601649  0.49982947
   0.88599308  0.61401700  0.00018452
   0.38599288  0.11399663  0.00020544
   0.38598316  0.11400690  0.49981049
   0.88599446  0.61401277  0.49981521
   0.11401097  0.38598893  0.00018453
   0.61400763  0.88600426  0.00020384
   0.61401413  0.88599352  0.49980757
   0.11400750  0.38599373  0.49981425
   0.00000202  0.49999705  0.11413101
   0.49999833  0.00000425  0.11414269
   0.49999796  0.00000072  0.61382918
   0.00000049  0.49999792  0.61384060
   0.00000172  0.49999435  0.38586703
   0.49999458  0.00000540  0.38586389
   0.49999755  0.99999804  0.88619578
   0.00000257  0.49999681  0.88616004
 
 position of ions in cartesian coordinates  (Angst):
  -0.00052698  5.92161474  4.17316176
   5.92033840 11.84271094  4.17339929
   5.92047604 11.84264810 12.52012143
  11.84249062  5.92052903 12.52016791
   2.96043361  2.96035200 16.69132818
   8.88150953  8.88172365 16.69110838
   8.88126372  8.88171744  8.34899843
   2.96074190  2.96042226  8.34875936
   8.88215731  2.95976155 16.69071555
   2.95988011  8.88234814 16.69077748
   2.96014902  8.88225908  8.34925649
   8.88186591  2.95982745  8.34933180
   0.00003985  0.00002433  4.17337419
   5.92098251  5.92105438  4.17364687
   5.92108549  5.92109784 12.51978462
  11.84192182 11.84208379 12.52001335
  -0.00117194 11.84326570  0.00191396
   5.92098352  5.92109332  0.00185301
   5.92098169  5.92105268  8.34489573
  -0.00117287 11.84325692  8.34484347
   8.88170909  2.95950767  4.17309441
   2.96033882  8.88257499  4.17307588
   2.96020313  8.88243350 12.52017604
   8.88174356  2.95969423 12.52018706
   2.96087365  2.96015900  4.17311099
   8.88111914  8.88198879  4.17310688
   8.88121057  8.88182938 12.52017632
   2.96082181  2.96027451 12.52014898
  -0.00055806  5.92168274  0.00184024
   5.92040046 11.84269820  0.00239325
   5.92040106 11.84270062  8.34463287
  -0.00058186  5.92170791  8.34477976
  11.84270959  2.96019359  2.08249752
   5.92058802  8.88090425  2.08228264
   5.92183288  8.88234473 10.43993332
   0.00077634  2.96141503 10.44036419
  -0.00072648  8.88216574  6.26434045
   5.92150756  2.96013171  6.26458976
   5.92015047  2.96056059 14.59991741
  11.84112665  8.88066735 14.59948081
  -0.00075308  8.88194715  2.08228772
   5.92159165  2.96120659  2.08237229
   5.92021727  2.95969020 10.44014743
  11.84112574  8.88077868 10.44032828
  11.84271789  2.95997735  6.26415110
   5.92056067  8.88196440  6.26490278
   5.92190063  8.88154665 14.59975227
   0.00092594  2.96137395 14.59927896
   2.96012835  5.92139495  6.26422405
   8.88209714 -0.00062735  6.26473989
   8.88081124 11.84125039 14.59954360
   2.96037780  5.92009621 14.59971016
   8.88170356  5.92044139  2.08233415
   2.95954439 11.84294700  2.08253838
   2.96142099  0.00084933 10.43989513
   8.88210118  5.92191225 10.44061860
   8.88194319  5.92050932  6.26437868
   2.95986700 11.84288641  6.26468391
   2.96117276  0.00093190 14.59952087
   8.88166106  5.92189965 14.59977153
   2.96032114  5.92142800  2.08236671
   8.88250341 -0.00061701  2.08248556
   8.88051095 11.84136687 10.43984992
   2.95987062  5.92013757 10.44065726
   1.34990584  1.34975428  0.00314267
   7.27084878  7.27101476  0.00313335
   7.27086141  7.27102932  8.34356931
   1.34997985  1.34983010  8.34360039
   4.57111259  4.57111442  0.00311000
  10.49212169 10.49232616  0.00314014
  10.49202166 10.49225028  8.34360265
   4.57105964  4.57111168  8.34358236
  10.49313243  1.34869114  0.00310635
   4.57097026  7.27115748  0.00305247
   4.57096584  7.27115246  8.34362533
  10.49305638  1.34879543  8.34370094
   7.27104346  4.57097548  0.00303553
   1.34883026 10.49331921  0.00310819
   1.34891215 10.49324480  8.34366971
   7.27107258  4.57097268  8.34364716
   0.00000608  0.00005573  1.90522779
   5.92095310  5.92104333  1.90542623
   5.92098021  5.92107262 10.24680274
   0.00002931  0.00003836 10.24662338
   0.00001400  0.00002405  6.44174394
   5.92100089  5.92099643  6.44156285
   5.92098637  5.92106003 14.79306269
   0.00000521  0.00001447 14.79334044
  10.23090259  4.30854403  4.17311995
   4.30934882 10.23156126  4.17315321
   4.31168619 10.23405414 12.52013719
  10.23356437  4.31121526 12.52017445
   1.61110325  7.53353299  4.17310244
   7.53267520  1.61047627  4.17317556
   7.53025391  1.60796740 12.52013839
   1.60847262  7.53093502 12.52016041
   7.53218278  4.30891604  4.17301773
   1.61081773 10.23203386  4.17302008
   1.60817812 10.23431924 12.52024246
   7.52983633  4.31168281 12.52026326
  10.23112233  1.61002970  4.17301179
   4.30980680  7.53318445  4.17303567
   4.31207650  7.53043046 12.52024713
  10.23387810  1.60773732 12.52025664
   8.88164898  2.95944758  6.07421350
   2.96031015  8.88269630  6.07418336
   2.96035745  8.88263686 14.42187896
   8.88160206  2.95947951 14.42197071
   8.88167813  2.95938787  2.27204195
   2.96033648  8.88271403  2.27208960
   2.96038524  8.88254832 10.61846661
   8.88160780  2.95954638 10.61838752
   4.31010372  4.30939915  4.17307319
  10.23040563 10.23116712  4.17303868
  10.23278717 10.23326124 12.52023853
   4.31221016  4.31178013 12.52025649
   1.61157788  1.61102568  4.17308080
   7.53199248  7.53275388  4.17303128
   7.52978980  7.53033007 12.52024683
   1.60919724  1.60888235 12.52025220
   1.61143866  4.30944415  4.17319325
   7.53192529 10.23124526  4.17312334
   7.52933127 10.23393675 12.52018489
   1.60863237  4.31222214 12.52020086
  10.23057764  7.53272460  4.17320746
   4.31018885  1.61093465  4.17308057
   4.31266097  1.60819152 12.52016668
  10.23335686  7.52991130 12.52017968
   2.96097653  2.96001256  6.07436121
   8.88104436  8.88213060  6.07435165
   8.88103168  8.88201701 14.42231661
   2.96093129  2.96009926 14.42233510
   2.96089104  2.96003269  2.27191851
   8.88114723  8.88208288  2.27195147
   8.88104642  8.88196348 10.61802477
   2.96096408  2.96014763 10.61804418
   1.34921499  7.27159774  0.00281518
   7.27147719  1.34910597  0.00318877
   7.27153669  1.34917651  8.34377311
   1.34919885  7.27152363  8.34383507
  10.49281128  4.57060904  0.00279479
   4.57060123 10.49298928  0.00320412
   4.57054403 10.49288015  8.34376353
  10.49279746  4.57065982  8.34384177
  10.49227103  7.27094874  0.00306117
   4.57125700  1.34964249  0.00342301
   4.57113266  1.34975541  8.34353472
  10.49227814  7.27088990  8.34360085
   1.34980020  4.57125145  0.00307419
   7.27077230 10.49249809  0.00338382
   7.27084010 10.49236212  8.34347345
   1.34974982  4.57129953  8.34359770
  -0.00056712  5.92161707  1.90522942
   5.92157873 -0.00054063  1.90542423
   5.92156508 -0.00059110 10.24689547
  -0.00059440  5.92161861 10.24708616
  -0.00057561  5.92158031  6.44143001
   5.92152922 -0.00053169  6.44137753
   5.92037734 11.84268029 14.79361001
  -0.00057485  5.92160068 14.79302624
 
 Euler angles ALPHA=     0.0000000  BETA=     0.0000000

 transformation matrix from SAXIS to cartesian coordinates
 ---------------------------------------------------------
     1.0000000 m_x     0.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     0.0000000 m_y     1.0000000 m_z

 transformation matrix from cartesian coordinates to SAXIS
 ---------------------------------------------------------
     1.0000000 m_x     0.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     0.0000000 m_y     1.0000000 m_z




--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:  156350
 k-point  2 :   0.5000 0.0000-0.0000  plane waves:  156288
 k-point  3 :  -0.0000 0.5000-0.0000  plane waves:  156288
 k-point  4 :   0.5000 0.5000-0.0000  plane waves:  156232

 maximum and minimum number of plane-waves per node :      4404     4264

 maximum number of plane-waves:    156350
 maximum index in each direction: 
   IXMAX=   23   IYMAX=   23   IZMAX=   33
   IXMIN=  -24   IYMIN=  -24   IZMIN=  -33


 real space projection operators:
  total allocation   :          0.00 KBytes
  max/ min on nodes  :          0.00          0.00


 parallel 3D FFT for wavefunctions:
    minimum data exchange during FFTs selected (reduces bandwidth)
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP MPI-rank0   189163. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:      27813. kBytes
   fftplans  :       7976. kBytes
   grid      :      34406. kBytes
   one-center:        311. kBytes
   wavefun   :      88657. kBytes
 
     INWAV:  cpu time    0.0001: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 47   NGY = 47   NGZ = 67
  (NGX  =192   NGY  =192   NGZ  =280)
  gives a total of 148003 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron    1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for non-local projection operator          535
 Maximum index for augmentation-charges         1273 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.133
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0161: real time    0.0162


--------------------------------------- Iteration      1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.4872: real time    0.5096
    SETDIJ:  cpu time    0.4568: real time    0.4593
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  3
 
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 
spin component  4
 
  0.5983  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.5983  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.5983  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5983  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.0000  0.5983      0.0000  0.0000  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5983  v =  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
  o =  0.5983  v =  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  1.0000      0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
     EDDAV:  cpu time   58.7821: real time   59.4372
       DOS:  cpu time    0.1556: real time    0.1565
    --------------------------------------------
      LOOP:  cpu time   59.8817: real time   60.5627

 eigenvalue-minimisations  :  9984
 total energy-change (2. order) : 0.9084780E+04  (-0.5624688E+05)
 number of electron    1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000
 augmentation part     1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -16510.11511564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2374.36550559
  PAW double counting   =     57351.89416820   -56013.15603964
  entropy T*S    EENTRO =         0.00539777
  eigenvalues    EBANDS =      3089.25871016
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      9084.77988155 eV

  energy without entropy =     9084.77448378  energy(sigma->0) =     9084.77808229


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   2)  ---------------------------------------


     EDDAV:  cpu time   68.2935: real time   69.0238
       DOS:  cpu time    0.0434: real time    0.0436
    --------------------------------------------
      LOOP:  cpu time   68.3369: real time   69.0674

 eigenvalue-minimisations  : 12024
 total energy-change (2. order) :-0.9338987E+04  (-0.8927263E+04)
 number of electron    1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000
 augmentation part     1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -16510.11511564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2374.36550559
  PAW double counting   =     57351.89416820   -56013.15603964
  entropy T*S    EENTRO =        -0.14831269
  eigenvalues    EBANDS =     -6249.57426392
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -254.20680298 eV

  energy without entropy =     -254.05849029  energy(sigma->0) =     -254.15736542


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   3)  ---------------------------------------


     EDDAV:  cpu time   66.5588: real time   67.2522
       DOS:  cpu time    0.0470: real time    0.0472
    --------------------------------------------
      LOOP:  cpu time   66.6058: real time   67.2994

 eigenvalue-minimisations  : 11648
 total energy-change (2. order) :-0.1036639E+04  (-0.1022993E+04)
 number of electron    1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000
 augmentation part     1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -16510.11511564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2374.36550559
  PAW double counting   =     57351.89416820   -56013.15603964
  entropy T*S    EENTRO =        -0.57231987
  eigenvalues    EBANDS =     -7285.78924108
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1290.84578734 eV

  energy without entropy =    -1290.27346746  energy(sigma->0) =    -1290.65501405


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   4)  ---------------------------------------


     EDDAV:  cpu time   84.7815: real time   85.6223
       DOS:  cpu time    0.0471: real time    0.0473
    --------------------------------------------
      LOOP:  cpu time   84.8286: real time   85.6696

 eigenvalue-minimisations  : 15608
 total energy-change (2. order) :-0.6293803E+02  (-0.6257544E+02)
 number of electron    1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000
 augmentation part     1040.0000000 magnetization       0.0000000     -0.0000000     -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -16510.11511564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2374.36550559
  PAW double counting   =     57351.89416820   -56013.15603964
  entropy T*S    EENTRO =        -0.68300361
  eigenvalues    EBANDS =     -7348.61658395
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1353.78381394 eV

  energy without entropy =    -1353.10081033  energy(sigma->0) =    -1353.55614607


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   5)  ---------------------------------------


     EDDAV:  cpu time   82.0610: real time   82.9007
       DOS:  cpu time    0.0600: real time    0.0603
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.051   0.049   0.000   0.100
    2        0.051   0.049   0.000   0.101
    3        0.051   0.050   0.000   0.101
    4        0.051   0.049   0.000   0.101
    5        0.051   0.049   0.000   0.100
    6        0.051   0.049   0.000   0.100
    7        0.051   0.049   0.000   0.100
    8        0.051   0.049   0.000   0.100
    9        0.051   0.049   0.000   0.100
   10        0.051   0.049   0.000   0.100
   11        0.051   0.049   0.000   0.100
   12        0.051   0.049   0.000   0.100
   13        0.051   0.049   0.000   0.100
   14        0.051   0.049   0.000   0.100
   15        0.051   0.049   0.000   0.101
   16        0.051   0.049   0.000   0.101
   17        0.603   0.953   3.185   4.741
   18        0.603   0.953   3.204   4.759
   19        0.604   0.953   3.192   4.749
   20        0.604   0.953   3.188   4.745
   21        0.605   0.956   3.140   4.702
   22        0.605   0.956   3.137   4.698
   23        0.602   0.949   3.313   4.863
   24        0.602   0.948   3.316   4.866
   25        0.605   0.956   3.135   4.696
   26        0.605   0.956   3.131   4.692
   27        0.602   0.948   3.366   4.915
   28        0.602   0.948   3.366   4.916
   29        0.603   0.952   3.200   4.756
   30        0.603   0.953   3.190   4.746
   31        0.603   0.952   3.211   4.766
   32        0.603   0.952   3.202   4.757
   33        1.983   5.577   0.150   7.710
   34        1.983   5.577   0.150   7.710
   35        1.983   5.576   0.151   7.711
   36        1.983   5.576   0.151   7.710
   37        1.983   5.577   0.150   7.710
   38        1.983   5.577   0.150   7.710
   39        1.983   5.576   0.151   7.711
   40        1.983   5.576   0.151   7.711
   41        1.983   5.577   0.150   7.710
   42        1.983   5.577   0.150   7.710
   43        1.983   5.576   0.151   7.711
   44        1.983   5.576   0.151   7.710
   45        1.983   5.577   0.150   7.710
   46        1.983   5.577   0.150   7.710
   47        1.983   5.576   0.151   7.711
   48        1.983   5.576   0.151   7.710
   49        1.983   5.577   0.150   7.710
   50        1.983   5.577   0.150   7.710
   51        1.983   5.577   0.151   7.711
   52        1.983   5.577   0.151   7.711
   53        1.983   5.577   0.150   7.710
   54        1.983   5.577   0.150   7.710
   55        1.983   5.577   0.151   7.711
   56        1.983   5.577   0.151   7.711
   57        1.983   5.577   0.150   7.710
   58        1.983   5.577   0.150   7.710
   59        1.983   5.577   0.151   7.711
   60        1.983   5.577   0.151   7.711
   61        1.983   5.577   0.150   7.710
   62        1.983   5.577   0.150   7.710
   63        1.983   5.577   0.151   7.711
   64        1.983   5.577   0.151   7.711
   65        1.601   4.007   0.000   5.609
   66        1.601   4.008   0.000   5.609
   67        1.601   4.008   0.000   5.609
   68        1.601   4.008   0.000   5.609
   69        1.601   4.008   0.000   5.609
   70        1.601   4.007   0.000   5.609
   71        1.601   4.008   0.000   5.609
   72        1.601   4.008   0.000   5.609
   73        1.601   4.007   0.000   5.609
   74        1.601   4.008   0.000   5.609
   75        1.601   4.008   0.000   5.609
   76        1.601   4.007   0.000   5.609
   77        1.601   4.008   0.000   5.609
   78        1.601   4.007   0.000   5.609
   79        1.601   4.007   0.000   5.609
   80        1.601   4.008   0.000   5.609
   81        1.602   4.008   0.000   5.609
   82        1.602   4.008   0.000   5.610
   83        1.601   4.006   0.000   5.608
   84        1.601   4.006   0.000   5.608
   85        1.602   4.008   0.000   5.609
   86        1.602   4.008   0.000   5.610
   87        1.601   4.007   0.000   5.608
   88        1.601   4.006   0.000   5.608
   89        1.601   4.006   0.000   5.607
   90        1.601   4.006   0.000   5.607
   91        1.601   4.012   0.000   5.613
   92        1.601   4.012   0.000   5.613
   93        1.601   4.006   0.000   5.607
   94        1.601   4.006   0.000   5.607
   95        1.601   4.012   0.000   5.613
   96        1.601   4.012   0.000   5.613
   97        1.601   4.006   0.000   5.607
   98        1.601   4.006   0.000   5.607
   99        1.601   4.012   0.000   5.613
  100        1.601   4.012   0.000   5.613
  101        1.601   4.006   0.000   5.607
  102        1.601   4.006   0.000   5.607
  103        1.601   4.012   0.000   5.613
  104        1.601   4.012   0.000   5.613
  105        1.601   4.006   0.000   5.607
  106        1.601   4.006   0.000   5.607
  107        1.602   4.010   0.000   5.611
  108        1.602   4.010   0.000   5.611
  109        1.601   4.006   0.000   5.607
  110        1.601   4.006   0.000   5.607
  111        1.602   4.010   0.000   5.611
  112        1.602   4.010   0.000   5.611
  113        1.601   4.006   0.000   5.607
  114        1.601   4.006   0.000   5.607
  115        1.601   4.013   0.000   5.614
  116        1.601   4.013   0.000   5.614
  117        1.601   4.006   0.000   5.607
  118        1.601   4.006   0.000   5.607
  119        1.601   4.013   0.000   5.614
  120        1.601   4.013   0.000   5.614
  121        1.601   4.006   0.000   5.607
  122        1.601   4.006   0.000   5.607
  123        1.601   4.013   0.000   5.614
  124        1.601   4.013   0.000   5.614
  125        1.601   4.006   0.000   5.607
  126        1.601   4.006   0.000   5.607
  127        1.601   4.013   0.000   5.614
  128        1.601   4.013   0.000   5.614
  129        1.601   4.006   0.000   5.607
  130        1.601   4.006   0.000   5.607
  131        1.602   4.011   0.000   5.613
  132        1.602   4.011   0.000   5.613
  133        1.601   4.006   0.000   5.607
  134        1.601   4.006   0.000   5.607
  135        1.602   4.011   0.000   5.613
  136        1.602   4.011   0.000   5.613
  137        1.601   4.008   0.000   5.609
  138        1.601   4.007   0.000   5.609
  139        1.601   4.008   0.000   5.609
  140        1.601   4.008   0.000   5.609
  141        1.601   4.008   0.000   5.609
  142        1.601   4.007   0.000   5.609
  143        1.601   4.008   0.000   5.609
  144        1.601   4.008   0.000   5.609
  145        1.601   4.008   0.000   5.609
  146        1.601   4.008   0.000   5.609
  147        1.601   4.008   0.000   5.609
  148        1.601   4.008   0.000   5.609
  149        1.601   4.008   0.000   5.609
  150        1.601   4.008   0.000   5.609
  151        1.601   4.008   0.000   5.610
  152        1.601   4.008   0.000   5.609
  153        1.602   4.008   0.000   5.610
  154        1.602   4.008   0.000   5.609
  155        1.601   4.007   0.000   5.609
  156        1.601   4.007   0.000   5.608
  157        1.602   4.008   0.000   5.610
  158        1.602   4.008   0.000   5.610
  159        1.601   4.006   0.000   5.608
  160        1.601   4.007   0.000   5.608
--------------------------------------------------
tot        227.662 579.270  56.295 863.227
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15       -0.000  -0.000   0.000  -0.000
   16        0.000   0.000   0.000   0.000
   17       -0.000  -0.000   0.006   0.005
   18       -0.000  -0.000  -0.008  -0.008
   19        0.000  -0.000   0.002   0.002
   20        0.000  -0.000  -0.000  -0.000
   21       -0.000  -0.000  -0.002  -0.002
   22       -0.000  -0.000  -0.009  -0.009
   23        0.000   0.000   0.018   0.018
   24       -0.000  -0.000  -0.006  -0.006
   25       -0.000  -0.000  -0.002  -0.002
   26       -0.000  -0.000  -0.009  -0.009
   27        0.000   0.000   0.019   0.019
   28        0.000  -0.000  -0.006  -0.006
   29        0.000  -0.000   0.006   0.006
   30       -0.000  -0.000  -0.007  -0.007
   31        0.000  -0.000   0.002   0.002
   32        0.000  -0.000  -0.000  -0.000
   33       -0.001  -0.004  -0.002  -0.006
   34       -0.002  -0.006  -0.004  -0.012
   35        0.002   0.007   0.004   0.013
   36       -0.000  -0.001  -0.001  -0.002
   37       -0.002  -0.006  -0.004  -0.011
   38       -0.000  -0.001  -0.000  -0.001
   39        0.000   0.001   0.001   0.002
   40        0.001   0.005   0.003   0.010
   41        0.000   0.001   0.000   0.002
   42        0.001   0.002   0.001   0.004
   43       -0.002  -0.007  -0.004  -0.013
   44        0.002   0.007   0.004   0.013
   45        0.000   0.001   0.000   0.001
   46        0.001   0.003   0.002   0.005
   47       -0.001  -0.004  -0.002  -0.007
   48        0.000   0.002   0.001   0.004
   49       -0.000   0.000  -0.000  -0.000
   50        0.000   0.000  -0.000  -0.000
   51       -0.000  -0.000   0.000  -0.000
   52        0.000  -0.000   0.000   0.000
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000   0.000  -0.000  -0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57       -0.000   0.000  -0.000  -0.000
   58        0.000   0.000  -0.000   0.000
   59       -0.000  -0.000   0.000   0.000
   60        0.000  -0.000   0.000   0.000
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000   0.000  -0.000  -0.000
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65       -0.000   0.000   0.000   0.000
   66        0.000   0.001   0.000   0.001
   67       -0.000  -0.001   0.000  -0.001
   68       -0.000   0.000   0.000   0.000
   69       -0.000  -0.001   0.000  -0.001
   70       -0.000  -0.001   0.000  -0.001
   71       -0.000  -0.000   0.000  -0.000
   72        0.000   0.001   0.000   0.001
   73       -0.000   0.000   0.000   0.000
   74        0.000   0.001   0.000   0.001
   75       -0.000  -0.001   0.000  -0.001
   76        0.000   0.000   0.000   0.000
   77       -0.000  -0.000   0.000  -0.001
   78       -0.000  -0.001   0.000  -0.001
   79       -0.000  -0.000   0.000  -0.000
   80        0.000   0.001   0.000   0.001
   81       -0.000   0.000   0.000   0.000
   82        0.000   0.000   0.000   0.000
   83       -0.000   0.000   0.000   0.000
   84       -0.000  -0.001   0.000  -0.001
   85        0.000   0.001   0.000   0.001
   86       -0.000  -0.000   0.000  -0.000
   87        0.000   0.000   0.000   0.000
   88       -0.000  -0.001   0.000  -0.001
   89        0.000   0.000   0.000   0.000
   90        0.000   0.000   0.000   0.000
   91       -0.000   0.000   0.000   0.000
   92       -0.000  -0.000   0.000  -0.000
   93        0.000   0.000   0.000   0.000
   94       -0.000  -0.000   0.000  -0.000
   95        0.000   0.001   0.000   0.001
   96       -0.000  -0.001   0.000  -0.001
   97       -0.000  -0.000   0.000  -0.000
   98        0.000   0.000   0.000   0.000
   99       -0.000  -0.001   0.000  -0.001
  100        0.000   0.001   0.000   0.001
  101        0.000   0.000   0.000   0.000
  102        0.000   0.000   0.000   0.000
  103       -0.000   0.000   0.000   0.000
  104        0.000  -0.000   0.000  -0.000
  105        0.000  -0.000   0.000   0.000
  106        0.000   0.000   0.000   0.000
  107        0.000   0.000   0.000   0.000
  108       -0.000  -0.001   0.000  -0.001
  109        0.000   0.000   0.000   0.000
  110        0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112        0.000   0.001   0.000   0.001
  113       -0.000  -0.000   0.000  -0.000
  114        0.000   0.000   0.000   0.000
  115       -0.000  -0.001   0.000  -0.001
  116        0.000   0.001   0.000   0.001
  117        0.000   0.000   0.000   0.000
  118        0.000   0.000   0.000   0.000
  119       -0.000   0.000   0.000   0.000
  120        0.000  -0.000   0.000  -0.000
  121       -0.000   0.000   0.000   0.000
  122        0.000   0.000   0.000   0.000
  123       -0.000   0.000   0.000   0.000
  124       -0.000  -0.000   0.000  -0.000
  125        0.000   0.000   0.000   0.000
  126       -0.000  -0.000   0.000  -0.000
  127        0.000   0.001   0.000   0.001
  128       -0.000  -0.001   0.000  -0.001
  129        0.000  -0.000   0.000  -0.000
  130        0.000   0.000   0.000   0.000
  131        0.000   0.000   0.000   0.000
  132       -0.000  -0.001   0.000  -0.001
  133       -0.000   0.000   0.000   0.000
  134        0.000   0.000   0.000   0.000
  135       -0.000  -0.001   0.000  -0.001
  136        0.000   0.001   0.000   0.001
  137       -0.000  -0.001   0.000  -0.001
  138       -0.000  -0.000   0.000  -0.001
  139        0.000   0.001   0.000   0.001
  140       -0.000  -0.000   0.000  -0.000
  141        0.000   0.000   0.000   0.000
  142        0.000   0.001   0.000   0.001
  143       -0.000  -0.001   0.000  -0.001
  144        0.000   0.000   0.000   0.000
  145       -0.000  -0.001   0.000  -0.001
  146       -0.000  -0.001   0.000  -0.001
  147        0.000   0.001   0.000   0.001
  148        0.000  -0.000   0.000  -0.000
  149       -0.000   0.000   0.000   0.000
  150        0.000   0.001   0.000   0.001
  151       -0.000  -0.001   0.000  -0.001
  152        0.000   0.000   0.000   0.000
  153        0.000   0.000   0.000   0.000
  154        0.000   0.000   0.000   0.000
  155       -0.000   0.000   0.000   0.000
  156       -0.000  -0.001   0.000  -0.001
  157        0.000   0.001   0.000   0.001
  158       -0.000  -0.000   0.000  -0.000
  159        0.000   0.000   0.000   0.000
  160       -0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.001   0.000   0.005   0.004
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4       -0.000  -0.000   0.000  -0.000
    5       -0.000   0.000   0.000   0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8        0.000  -0.000   0.000  -0.000
    9       -0.000  -0.000   0.000  -0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12        0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.004  -0.004
   18        0.000   0.000   0.002   0.002
   19       -0.000   0.000  -0.002  -0.002
   20        0.000  -0.000   0.004   0.004
   21        0.000  -0.000   0.001   0.001
   22       -0.000  -0.000  -0.004  -0.004
   23        0.000   0.000   0.002   0.002
   24       -0.000   0.000   0.001   0.001
   25        0.000  -0.000   0.001   0.001
   26       -0.000  -0.000  -0.004  -0.004
   27        0.000  -0.000   0.002   0.002
   28        0.000  -0.000   0.000   0.000
   29       -0.000  -0.000  -0.004  -0.004
   30        0.000  -0.000   0.002   0.002
   31        0.000  -0.000  -0.002  -0.002
   32        0.000   0.000   0.003   0.003
   33        0.000   0.000   0.000   0.001
   34       -0.001  -0.003  -0.002  -0.006
   35        0.001   0.003   0.002   0.006
   36       -0.001  -0.005  -0.003  -0.009
   37        0.000   0.001   0.001   0.003
   38       -0.001  -0.005  -0.003  -0.009
   39        0.000   0.002   0.001   0.003
   40       -0.001  -0.006  -0.003  -0.011
   41        0.000   0.002   0.001   0.003
   42       -0.001  -0.002  -0.001  -0.004
   43        0.001   0.004   0.002   0.007
   44       -0.000  -0.001  -0.001  -0.003
   45        0.002   0.008   0.004   0.014
   46       -0.001  -0.003  -0.002  -0.006
   47        0.001   0.005   0.003   0.010
   48       -0.000  -0.000  -0.000  -0.000
   49       -0.000  -0.000   0.000  -0.000
   50        0.000   0.000  -0.000   0.000
   51       -0.000  -0.000   0.000  -0.000
   52       -0.000  -0.000   0.000  -0.000
   53        0.000   0.000  -0.000  -0.000
   54        0.000   0.000   0.000   0.000
   55        0.000   0.000   0.000   0.000
   56       -0.000  -0.000  -0.000  -0.000
   57       -0.000  -0.000  -0.000  -0.000
   58        0.000  -0.000   0.000   0.000
   59        0.000  -0.000   0.000   0.000
   60       -0.000  -0.000  -0.000  -0.000
   61       -0.000   0.000  -0.000  -0.000
   62        0.000   0.000  -0.000   0.000
   63       -0.000  -0.000   0.000  -0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.000   0.000  -0.000
   66       -0.000  -0.000   0.000  -0.000
   67        0.000  -0.000   0.000  -0.000
   68       -0.000  -0.000   0.000  -0.000
   69        0.000   0.000   0.000   0.000
   70        0.000   0.000   0.000   0.000
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.000   0.000  -0.000
   74        0.000  -0.000   0.000  -0.000
   75        0.000  -0.000   0.000  -0.000
   76       -0.000  -0.000   0.000  -0.000
   77        0.000   0.000   0.000   0.000
   78        0.000   0.000   0.000   0.000
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.000   0.000  -0.000
   82        0.000   0.001   0.000   0.001
   83       -0.000  -0.001   0.000  -0.001
   84        0.000   0.001   0.000   0.001
   85       -0.000  -0.001   0.000  -0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.001   0.000  -0.001
   88        0.000   0.001   0.000   0.001
   89       -0.000  -0.001   0.000  -0.001
   90        0.000   0.001   0.000   0.001
   91       -0.000  -0.001   0.000  -0.001
   92        0.000   0.001   0.000   0.001
   93        0.000  -0.001   0.000  -0.001
   94        0.000   0.001   0.000   0.001
   95       -0.000  -0.001   0.000  -0.001
   96        0.000   0.001   0.000   0.001
   97        0.000   0.001   0.000   0.001
   98       -0.000  -0.000   0.000  -0.000
   99        0.000   0.001   0.000   0.001
  100       -0.000  -0.001   0.000  -0.001
  101       -0.000  -0.001   0.000  -0.001
  102        0.000   0.001   0.000   0.001
  103       -0.000  -0.001   0.000  -0.001
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000   0.000   0.000   0.000
  107        0.000   0.000   0.000   0.000
  108       -0.000  -0.000   0.000  -0.000
  109        0.000   0.000   0.000   0.000
  110       -0.000   0.000   0.000   0.000
  111       -0.000  -0.000   0.000  -0.000
  112        0.000   0.000   0.000   0.000
  113        0.000   0.001   0.000   0.001
  114       -0.000  -0.000   0.000  -0.000
  115        0.000   0.001   0.000   0.001
  116       -0.000  -0.001   0.000  -0.001
  117       -0.000  -0.001   0.000  -0.001
  118        0.000   0.001   0.000   0.001
  119       -0.000  -0.001   0.000  -0.001
  120        0.000   0.001   0.000   0.001
  121       -0.000  -0.001   0.000  -0.001
  122        0.000   0.001   0.000   0.001
  123       -0.000  -0.001   0.000  -0.001
  124        0.000   0.001   0.000   0.001
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.001   0.000   0.001
  127       -0.000  -0.001   0.000  -0.001
  128        0.000   0.001   0.000   0.001
  129       -0.000  -0.000   0.000  -0.000
  130        0.000   0.000   0.000   0.000
  131        0.000   0.000   0.000   0.000
  132       -0.000  -0.000   0.000  -0.000
  133       -0.000   0.000   0.000   0.000
  134        0.000   0.000   0.000   0.000
  135       -0.000  -0.000   0.000  -0.000
  136        0.000   0.000   0.000   0.000
  137        0.000   0.000   0.000   0.000
  138        0.000   0.000   0.000   0.000
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141       -0.000  -0.000   0.000  -0.000
  142        0.000  -0.000   0.000  -0.000
  143       -0.000  -0.000   0.000  -0.000
  144       -0.000  -0.000   0.000  -0.000
  145        0.000   0.000   0.000   0.000
  146        0.000   0.000   0.000   0.000
  147       -0.000   0.000   0.000   0.000
  148       -0.000   0.000   0.000   0.000
  149        0.000  -0.000   0.000  -0.000
  150       -0.000  -0.000   0.000  -0.000
  151       -0.000  -0.000   0.000  -0.000
  152       -0.000  -0.000   0.000  -0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.001   0.000   0.001
  155       -0.000  -0.001   0.000  -0.001
  156        0.000   0.001   0.000   0.001
  157       -0.000  -0.001   0.000  -0.001
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.001   0.000  -0.001
  160        0.000   0.001   0.000   0.001
--------------------------------------------------
tot          0.000  -0.000  -0.001  -0.001
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4        0.000   0.000   0.000   0.000
    5        0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7       -0.000  -0.000   0.000  -0.000
    8        0.000   0.000   0.000   0.000
    9        0.000   0.000   0.000   0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000  -0.000   0.000   0.000
   12        0.000   0.000   0.000   0.000
   13        0.000   0.000   0.000   0.000
   14        0.000  -0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000   0.000   0.000  -0.000
   17        0.000  -0.000  -0.008  -0.008
   18       -0.000  -0.000  -0.009  -0.009
   19       -0.000  -0.000   0.001   0.001
   20        0.000   0.000   0.016   0.016
   21        0.000   0.000   0.022   0.022
   22       -0.000  -0.000  -0.013  -0.014
   23       -0.000   0.000   0.002   0.002
   24       -0.000  -0.000  -0.011  -0.011
   25        0.000   0.000   0.022   0.022
   26       -0.000  -0.000  -0.014  -0.014
   27       -0.000   0.000   0.002   0.002
   28       -0.000  -0.000  -0.011  -0.011
   29       -0.000  -0.000  -0.008  -0.008
   30       -0.000  -0.000  -0.009  -0.009
   31        0.000   0.000   0.002   0.002
   32        0.000   0.000   0.016   0.016
   33        0.002   0.007   0.004   0.013
   34       -0.001  -0.003  -0.002  -0.006
   35        0.000   0.002   0.001   0.003
   36        0.002   0.006   0.004   0.011
   37        0.001   0.004   0.003   0.008
   38        0.002   0.006   0.004   0.011
   39       -0.002  -0.008  -0.005  -0.014
   40        0.000   0.001   0.000   0.001
   41       -0.002  -0.008  -0.004  -0.014
   42        0.002   0.007   0.004   0.013
   43        0.000   0.000   0.000   0.000
   44        0.001   0.003   0.002   0.006
   45        0.000   0.000   0.001   0.001
   46       -0.002  -0.006  -0.004  -0.012
   47       -0.001  -0.004  -0.002  -0.008
   48       -0.002  -0.007  -0.004  -0.014
   49        0.000  -0.000   0.000   0.000
   50        0.000  -0.000   0.000   0.000
   51       -0.000   0.000  -0.000  -0.000
   52       -0.000   0.000  -0.000  -0.000
   53       -0.000   0.000   0.000   0.000
   54        0.000  -0.000   0.000   0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57        0.000  -0.000   0.000   0.000
   58       -0.000  -0.000   0.000   0.000
   59       -0.000   0.000  -0.000  -0.000
   60       -0.000   0.000  -0.000  -0.000
   61       -0.000  -0.000  -0.000  -0.000
   62        0.000  -0.000   0.000   0.000
   63        0.000  -0.000   0.000   0.000
   64       -0.000  -0.000   0.000   0.000
   65       -0.000  -0.000   0.000  -0.000
   66        0.000   0.001   0.000   0.001
   67        0.000   0.001   0.000   0.001
   68       -0.000  -0.000   0.000  -0.000
   69       -0.000  -0.000   0.000  -0.000
   70        0.000   0.001   0.000   0.001
   71       -0.000  -0.001   0.000  -0.001
   72       -0.000  -0.001   0.000  -0.001
   73        0.000  -0.000   0.000  -0.000
   74        0.000   0.001   0.000   0.001
   75        0.000   0.001   0.000   0.001
   76       -0.000  -0.000   0.000  -0.000
   77       -0.000  -0.000   0.000  -0.000
   78        0.000   0.001   0.000   0.001
   79       -0.000  -0.001   0.000  -0.001
   80       -0.000  -0.001   0.000  -0.001
   81        0.000  -0.000   0.000  -0.000
   82       -0.000  -0.001   0.000  -0.001
   83        0.000  -0.000   0.000  -0.000
   84       -0.000  -0.001   0.000  -0.001
   85       -0.000  -0.000   0.000  -0.000
   86        0.000   0.000   0.000   0.000
   87        0.000   0.001   0.000   0.001
   88        0.000   0.001   0.000   0.001
   89       -0.000  -0.000   0.000  -0.000
   90        0.000   0.001   0.000   0.001
   91        0.000   0.000   0.000   0.000
   92       -0.000  -0.000   0.000  -0.000
   93        0.000   0.000   0.000   0.000
   94       -0.000  -0.001   0.000  -0.001
   95        0.000   0.001   0.000   0.001
   96        0.000  -0.000   0.000  -0.000
   97       -0.000  -0.001   0.000  -0.001
   98       -0.000   0.000   0.000   0.000
   99       -0.000  -0.000   0.000  -0.000
  100        0.000   0.001   0.000   0.001
  101       -0.000  -0.000   0.000  -0.001
  102        0.000   0.001   0.000   0.001
  103        0.000   0.000   0.000   0.000
  104        0.000  -0.000   0.000  -0.000
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.000   0.000  -0.000
  107        0.000   0.000   0.000   0.000
  108        0.000   0.002   0.000   0.002
  109       -0.000  -0.001   0.000  -0.001
  110        0.000   0.001   0.000   0.001
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.001   0.000  -0.001
  113       -0.000  -0.001   0.000  -0.001
  114        0.000   0.000   0.000   0.000
  115       -0.000  -0.000   0.000  -0.000
  116        0.000   0.001   0.000   0.001
  117       -0.000  -0.000   0.000  -0.000
  118        0.000   0.001   0.000   0.001
  119        0.000   0.000   0.000   0.000
  120       -0.000  -0.000   0.000  -0.000
  121       -0.000  -0.000   0.000  -0.000
  122        0.000   0.001   0.000   0.001
  123        0.000   0.000   0.000   0.000
  124       -0.000  -0.000   0.000  -0.000
  125        0.000   0.000   0.000   0.000
  126       -0.000  -0.001   0.000  -0.001
  127        0.000   0.001   0.000   0.001
  128       -0.000  -0.000   0.000  -0.001
  129       -0.000  -0.000   0.000  -0.000
  130        0.000  -0.000   0.000  -0.000
  131        0.000   0.001   0.000   0.001
  132        0.000   0.002   0.000   0.002
  133       -0.000  -0.001   0.000  -0.001
  134        0.000   0.001   0.000   0.001
  135       -0.000  -0.001   0.000  -0.001
  136       -0.000  -0.001   0.000  -0.001
  137        0.000   0.001   0.000   0.001
  138        0.000  -0.000   0.000  -0.000
  139       -0.000  -0.001   0.000  -0.001
  140       -0.000  -0.001   0.000  -0.001
  141       -0.000  -0.000   0.000  -0.000
  142        0.000   0.001   0.000   0.001
  143        0.000   0.001   0.000   0.001
  144       -0.000  -0.000   0.000  -0.000
  145        0.000   0.001   0.000   0.001
  146        0.000  -0.000   0.000  -0.000
  147       -0.000  -0.001   0.000  -0.001
  148       -0.000  -0.000   0.000  -0.001
  149       -0.000  -0.000   0.000  -0.000
  150        0.000   0.001   0.000   0.001
  151        0.000   0.001   0.000   0.001
  152       -0.000  -0.000   0.000  -0.000
  153       -0.000  -0.000   0.000  -0.000
  154       -0.000  -0.001   0.000  -0.001
  155       -0.000  -0.000   0.000  -0.000
  156       -0.000  -0.001   0.000  -0.001
  157       -0.000  -0.000   0.000  -0.000
  158        0.000   0.000   0.000   0.000
  159        0.000   0.001   0.000   0.001
  160        0.000   0.001   0.000   0.001
--------------------------------------------------
tot         -0.000  -0.001  -0.001  -0.002
 
    CHARGE:  cpu time    1.2262: real time    1.2378
    MIXING:  cpu time    0.0289: real time    0.0303
    --------------------------------------------
      LOOP:  cpu time   83.3762: real time   84.2291

 eigenvalue-minimisations  : 15008
 total energy-change (2. order) :-0.1531907E+01  (-0.1529591E+01)
 number of electron    1039.9999582 magnetization       0.0012699     -0.0002891     -0.0003799
 augmentation part       35.3483971 magnetization      -0.0052189      0.0018372      0.0005586

 Broyden mixing:
  rms(total) = 0.25823E+02    rms(broyden)= 0.25823E+02
  rms(prec ) = 0.26581E+02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -16510.11511564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2374.36550559
  PAW double counting   =     57351.89416820   -56013.15603964
  entropy T*S    EENTRO =        -0.68703612
  eigenvalues    EBANDS =     -7350.14445889
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1355.31572139 eV

  energy without entropy =    -1354.62868527  energy(sigma->0) =    -1355.08670935


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.4864: real time    0.4918
    SETDIJ:  cpu time    0.4355: real time    0.4381
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5217 -0.0001 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0249
 -0.0001  0.4632 -0.0001  0.0000 -0.0002     -0.0000  0.0000  0.0000  0.0766 -0.0003
 -0.0000 -0.0001  0.5233  0.0000  0.0001     -0.0000 -0.0000  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0000  0.4634 -0.0000      0.0000 -0.0766  0.0000 -0.0000  0.0002
  0.0000 -0.0002  0.0001 -0.0000  0.4696     -0.0249  0.0003 -0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0122 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0122 -0.0002
 -0.0122  0.0015 -0.0000 -0.0001  0.0002     -0.0000  0.0010 -0.0198 -0.0003 -0.0912
 -0.0000  0.0000  0.0000 -0.0194  0.0000     -0.0000  0.0194 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0001  0.0198  0.0011 -0.0911      0.0122 -0.0002  0.0000  0.0010  0.0001
  0.0000 -0.0001  0.0000  0.0918  0.0020     -0.0001  0.0915 -0.0001 -0.0001  0.0011
 
spin component  3
 
 -0.0001 -0.0122 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0122  0.0001
  0.0122  0.0015  0.0000 -0.0001 -0.0001      0.0000 -0.0010 -0.0194  0.0002 -0.0915
 -0.0000 -0.0000  0.0000  0.0198  0.0000     -0.0000  0.0198  0.0000 -0.0000  0.0001
  0.0000 -0.0001 -0.0194  0.0011  0.0918      0.0122  0.0003  0.0000 -0.0010  0.0001
  0.0000  0.0002  0.0000 -0.0911  0.0020      0.0002  0.0912  0.0001 -0.0001 -0.0011
 
spin component  4
 
  0.5217  0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0250
  0.0001  0.4683  0.0001 -0.0000  0.0002      0.0000 -0.0000 -0.0000 -0.0776 -0.0004
 -0.0000  0.0001  0.5232 -0.0000 -0.0001      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.4682  0.0001     -0.0000  0.0776 -0.0000  0.0000  0.0002
  0.0000  0.0002 -0.0001  0.0001  0.4731      0.0250  0.0004  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.2929  v =  0.0018  0.4725 -0.0005 -0.2553  0.0043  0.0022 -0.2020 -0.0001  0.0066  0.2601      0.0000 -0.2533 -0.0003 -0.4705 -0.2135 -0.0013 -0.0011  0.0003 -0.1994  0.4819
  o =  0.2956  v = -0.0040  0.1781 -0.0001 -0.0953 -0.0117  0.0006  0.5311  0.0002 -0.0103  0.0972      0.0000 -0.0989 -0.0001 -0.1827  0.5552 -0.0003  0.0119 -0.0003  0.5320  0.1812
  o =  0.5029  v = -0.0760  0.2992  0.0021 -0.2951 -0.0012 -0.0065 -0.0160 -0.5641 -0.0000  0.0020      0.0000  0.2974  0.0046  0.2955  0.0399 -0.0034 -0.0006  0.5668 -0.0210 -0.0038
  o =  0.5043  v =  0.0159 -0.0210  0.8128  0.0168 -0.0001  0.0862  0.0574 -0.0022 -0.3888  0.0380      0.0000  0.0186  0.1132  0.0178 -0.0068 -0.0769 -0.3890 -0.0027 -0.0502  0.0411
  o =  0.5060  v =  0.7273 -0.0707 -0.0735  0.0377 -0.0004  0.4226  0.1525 -0.0427  0.0323  0.1084      0.0000  0.0755 -0.0214  0.1139 -0.3025 -0.2607  0.0320  0.0495  0.1717  0.1769
  o =  0.5066  v = -0.5048 -0.1396 -0.0822  0.0922  0.0000  0.6239 -0.1187  0.0332  0.0331  0.1545      0.0000  0.0666 -0.0288  0.1182  0.2024 -0.3836  0.0332 -0.0241 -0.0950  0.2509
  o =  0.5602  v = -0.0295 -0.4143 -0.0175  0.3874  0.0016 -0.0050  0.0210 -0.4090 -0.0185 -0.0047      0.0000 -0.3926 -0.0059 -0.4084 -0.0338 -0.0052 -0.0173  0.4318  0.0083  0.0060
  o =  0.5647  v = -0.0049  0.0133  0.3656  0.0172 -0.0005  0.0344 -0.4385 -0.0178  0.3832 -0.0018      0.0000 -0.0186  0.4223 -0.0240 -0.0058 -0.0007  0.3827  0.0061  0.4445 -0.0425
  o =  0.5795  v =  0.3839  0.1653 -0.0125 -0.0672  0.0010  0.2350 -0.3024 -0.0115 -0.0173 -0.1596      0.0000 -0.0971 -0.0038 -0.2105  0.5908 -0.1035 -0.0164  0.0168 -0.3159 -0.3664
  o =  0.5830  v =  0.2488 -0.2883  0.0212  0.1359 -0.0007 -0.3392 -0.2248 -0.0110  0.0295  0.2400      0.0000  0.1071  0.0118  0.2722  0.4021  0.1466  0.0295  0.0052 -0.1908  0.5529
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5217  0.0002  0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0254
  0.0002  0.4643  0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0793  0.0005
  0.0000  0.0001  0.5233 -0.0001  0.0001     -0.0000 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.4645  0.0001      0.0000 -0.0793  0.0000  0.0000 -0.0001
 -0.0000 -0.0000  0.0001  0.0001  0.4705     -0.0254 -0.0005 -0.0000  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0124 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0125  0.0002
 -0.0124 -0.0021  0.0000  0.0000  0.0002     -0.0000 -0.0004 -0.0203  0.0003 -0.0937
  0.0000 -0.0000  0.0000 -0.0198 -0.0001      0.0000  0.0197 -0.0000 -0.0000  0.0000
  0.0001  0.0001  0.0202 -0.0015 -0.0933      0.0124  0.0003  0.0000 -0.0005  0.0002
 -0.0000 -0.0002 -0.0001  0.0942 -0.0026      0.0002  0.0941  0.0001 -0.0001 -0.0005
 
spin component  3
 
  0.0000 -0.0124  0.0000  0.0001 -0.0000     -0.0000  0.0000 -0.0000 -0.0124 -0.0002
  0.0124 -0.0021 -0.0000  0.0001 -0.0002     -0.0000  0.0004 -0.0197 -0.0003 -0.0941
 -0.0000  0.0000  0.0000  0.0202 -0.0001     -0.0000  0.0203  0.0000 -0.0000 -0.0001
  0.0000  0.0000 -0.0198 -0.0015  0.0942      0.0125 -0.0003  0.0000  0.0005  0.0001
  0.0000  0.0002 -0.0001 -0.0933 -0.0026     -0.0002  0.0937 -0.0000 -0.0002  0.0005
 
spin component  4
 
  0.5217 -0.0002 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0254
 -0.0002  0.4699 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0804  0.0005
 -0.0000 -0.0001  0.5231  0.0001 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.4695 -0.0001     -0.0000  0.0804 -0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000 -0.0001  0.4747      0.0254 -0.0005  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.2889  v =  0.0020 -0.5253 -0.0002  0.0834 -0.0008 -0.0024 -0.2179  0.0001  0.0006 -0.0847      0.0000  0.0822 -0.0005  0.5226 -0.2286  0.0004  0.0024 -0.0003 -0.2120 -0.5343
  o =  0.2920  v = -0.0038 -0.2134 -0.0000  0.0356  0.0071 -0.0007  0.5251 -0.0001  0.0070 -0.0362      0.0000  0.0369 -0.0002  0.2198  0.5491  0.0001 -0.0065  0.0005  0.5273 -0.2166
  o =  0.5036  v = -0.0920 -0.3934  0.0219  0.0960 -0.0007  0.0081 -0.0261  0.1952 -0.0097 -0.0014      0.0000 -0.0977 -0.0092 -0.3886  0.0466  0.0006 -0.0104 -0.7905 -0.0175  0.0046
  o =  0.5051  v =  0.0138 -0.0129  0.4472 -0.0168  0.0001  0.1075 -0.3134  0.0074 -0.2012 -0.0440      0.0000 -0.0244 -0.7011  0.0332 -0.0055  0.0962 -0.2009  0.0214  0.3187  0.0484
  o =  0.5062  v = -0.7694 -0.0553  0.0347  0.0171 -0.0001  0.4215 -0.1424 -0.0198 -0.0144  0.0496      0.0000  0.0344  0.0544  0.1237  0.3093 -0.1242 -0.0143  0.0821 -0.1892  0.1712
  o =  0.5069  v = -0.4473  0.1623 -0.0520 -0.0463 -0.0003 -0.7394 -0.1374 -0.0097  0.0205 -0.0850      0.0000 -0.0409 -0.1162 -0.1307  0.1713  0.2200  0.0201  0.0387 -0.0429 -0.2857
  o =  0.5631  v =  0.0334 -0.5682  0.0051  0.1214 -0.0007 -0.0049 -0.0179 -0.1219  0.0064 -0.0043      0.0000 -0.1262  0.0005 -0.5619  0.0406 -0.0040  0.0054  0.5588 -0.0178  0.0061
  o =  0.5682  v =  0.0084  0.0195 -0.2668 -0.0017 -0.0004  0.0352  0.5098 -0.0052 -0.2965 -0.0142      0.0000 -0.0112 -0.4641 -0.0230  0.0112 -0.0098 -0.2974  0.0015 -0.5215 -0.0484
  o =  0.5825  v =  0.3802 -0.1617 -0.0040  0.0317 -0.0003 -0.2367 -0.3019  0.0031 -0.0050  0.0691      0.0000  0.0390 -0.0096  0.2289  0.6044  0.0440 -0.0054 -0.0237 -0.3308  0.3810
  o =  0.5867  v =  0.2315  0.3222  0.0125 -0.0631 -0.0004  0.3570 -0.2400  0.0054  0.0181 -0.1098      0.0000 -0.0476  0.0267 -0.2925  0.3898 -0.0645  0.0176 -0.0096 -0.1622 -0.6080
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5216 -0.0001 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0252
 -0.0001  0.4666 -0.0001 -0.0001 -0.0001     -0.0000 -0.0000 -0.0000  0.0781 -0.0001
 -0.0000 -0.0001  0.5233  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.4667 -0.0001      0.0000 -0.0781 -0.0000  0.0000  0.0001
  0.0000 -0.0001  0.0000 -0.0001  0.4721     -0.0252  0.0001 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0123  0.0000 -0.0001  0.0000      0.0000  0.0000  0.0000 -0.0123 -0.0000
 -0.0123  0.0006 -0.0001 -0.0000  0.0001     -0.0000  0.0006 -0.0197 -0.0001 -0.0925
 -0.0000 -0.0000 -0.0000 -0.0198  0.0001     -0.0000  0.0198 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0002  0.0197  0.0004 -0.0924      0.0123 -0.0001 -0.0000  0.0004  0.0000
  0.0000 -0.0001  0.0000  0.0925  0.0007     -0.0000  0.0925 -0.0001 -0.0001  0.0004
 
spin component  3
 
 -0.0000 -0.0123 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0123  0.0000
  0.0123  0.0006 -0.0000 -0.0002 -0.0001     -0.0000 -0.0006 -0.0198  0.0001 -0.0925
  0.0000 -0.0001 -0.0000  0.0197  0.0000     -0.0000  0.0197  0.0000  0.0000  0.0001
 -0.0001 -0.0000 -0.0198  0.0004  0.0925      0.0123  0.0001  0.0000 -0.0004  0.0001
  0.0000  0.0001  0.0001 -0.0924  0.0007      0.0000  0.0925  0.0000 -0.0000 -0.0004
 
spin component  4
 
  0.5217  0.0001  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0252
  0.0001  0.4658  0.0001  0.0001  0.0002     -0.0000  0.0000 -0.0000 -0.0779 -0.0001
  0.0000  0.0001  0.5233 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0000  0.4657  0.0001      0.0000  0.0779  0.0000 -0.0000  0.0001
 -0.0000  0.0002 -0.0000  0.0001  0.4718      0.0252  0.0001  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2924  v = -0.0029 -0.2793  0.0002  0.1614 -0.0071 -0.0019  0.4717  0.0000 -0.0075 -0.1671      0.0000  0.1603  0.0000  0.2777  0.4868  0.0010  0.0056 -0.0002  0.4712 -0.2892
  o =  0.2931  v =  0.0019 -0.3849  0.0001  0.2711 -0.0251 -0.0024 -0.3216 -0.0000 -0.0253 -0.2805      0.0000  0.2717  0.0001  0.3857 -0.3307  0.0017  0.0234  0.0001 -0.3221 -0.3984
  o =  0.5038  v =  0.0189 -0.0641  0.8093  0.0266  0.0003  0.0379  0.0087  0.0436 -0.4006  0.0119      0.0000 -0.0157  0.0078 -0.0468 -0.0082 -0.0221 -0.4002 -0.1112 -0.0010  0.0180
  o =  0.5040  v = -0.0476  0.1742  0.0887 -0.3540 -0.0012  0.0077  0.0288 -0.7283 -0.0431  0.0000      0.0000  0.3540  0.0817  0.1788  0.0220  0.0009 -0.0435  0.3635 -0.0503  0.0046
  o =  0.5063  v = -0.7659  0.0883  0.0315  0.0002  0.0002 -0.4509 -0.1600  0.0353 -0.0143 -0.0281      0.0000 -0.0301  0.0049 -0.1046  0.3097  0.0680 -0.0142 -0.0203 -0.1644 -0.1828
  o =  0.5064  v = -0.4582 -0.1647 -0.0295  0.0346  0.0009  0.7589 -0.1022  0.0229  0.0104  0.0470      0.0000  0.0146 -0.0174  0.1543  0.1827 -0.1164  0.0117 -0.0127 -0.0881  0.3038
  o =  0.5631  v =  0.0011  0.1341  0.5427  0.0162  0.0001  0.0099  0.1307 -0.0216  0.5488 -0.0131      0.0000 -0.0274 -0.1313  0.1246  0.0021 -0.0112  0.5484 -0.1272 -0.1322 -0.0104
  o =  0.5640  v = -0.0134 -0.4251  0.1025  0.3692  0.0009  0.0053 -0.0722 -0.3613  0.1044 -0.0056      0.0000 -0.3749  0.0769 -0.4322 -0.0159 -0.0033  0.1052  0.4165  0.0866 -0.0072
  o =  0.5823  v = -0.3417 -0.2208  0.0065  0.0768 -0.0010 -0.2769  0.2798  0.0023  0.0095  0.1540      0.0000  0.0830  0.0013  0.2367 -0.5484  0.0962  0.0087 -0.0062  0.2845  0.4426
  o =  0.5833  v =  0.2895 -0.2753  0.0090  0.1028  0.0006 -0.3196 -0.2479 -0.0071  0.0118  0.1810      0.0000  0.0832  0.0039  0.2590  0.4714  0.1105  0.0130  0.0058 -0.2354  0.5188
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5217  0.0000 -0.0000 -0.0001 -0.0000      0.0000  0.0000 -0.0000  0.0000  0.0252
  0.0000  0.4704  0.0000  0.0001  0.0001     -0.0000  0.0000 -0.0000  0.0780  0.0000
 -0.0000  0.0000  0.5233  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
 -0.0001  0.0001  0.0000  0.4707  0.0000     -0.0000 -0.0780  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000  0.0000  0.4752     -0.0252 -0.0000  0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0000  0.0122  0.0000  0.0001 -0.0001      0.0000 -0.0000 -0.0000 -0.0123  0.0000
 -0.0123 -0.0001  0.0000  0.0000  0.0001     -0.0000 -0.0007 -0.0192 -0.0000 -0.0924
  0.0000  0.0000 -0.0000 -0.0200 -0.0000      0.0000  0.0200 -0.0000  0.0000  0.0000
  0.0001  0.0001  0.0193 -0.0000 -0.0925      0.0122  0.0000 -0.0000 -0.0011  0.0001
 -0.0001 -0.0001 -0.0000  0.0916  0.0000     -0.0000  0.0916  0.0001  0.0000 -0.0012
 
spin component  3
 
 -0.0000 -0.0123  0.0000  0.0001 -0.0001     -0.0000  0.0000 -0.0000 -0.0122  0.0000
  0.0122 -0.0001  0.0000  0.0001 -0.0001      0.0000  0.0007 -0.0200 -0.0000 -0.0916
  0.0000  0.0000 -0.0000  0.0193 -0.0000      0.0000  0.0192  0.0000  0.0000 -0.0001
  0.0001  0.0000 -0.0200 -0.0000  0.0916      0.0123  0.0000 -0.0000  0.0011 -0.0000
 -0.0001  0.0001 -0.0000 -0.0925  0.0000     -0.0000  0.0924 -0.0000 -0.0001  0.0012
 
spin component  4
 
  0.5217 -0.0000 -0.0000  0.0001  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0251
 -0.0000  0.4613 -0.0000 -0.0001 -0.0001     -0.0000 -0.0000  0.0000 -0.0761 -0.0000
 -0.0000 -0.0000  0.5234 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0001 -0.0001 -0.0000  0.4611 -0.0000      0.0000  0.0761  0.0000  0.0000 -0.0002
  0.0000 -0.0001  0.0000 -0.0000  0.4683      0.0251  0.0000  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.2918  v = -0.0023  0.0013 -0.0001 -0.0785  0.0004  0.0001  0.5695 -0.0003  0.0002  0.0834      0.0000 -0.0755 -0.0001 -0.0011  0.5754 -0.0008 -0.0004  0.0001  0.5707  0.0012
  o =  0.2955  v =  0.0001  0.1419  0.0002 -0.5416  0.0185  0.0013 -0.0789  0.0001  0.0184  0.5751      0.0000 -0.5427 -0.0004 -0.1414 -0.0763 -0.0051 -0.0194  0.0001 -0.0756  0.1499
  o =  0.5022  v =  0.0061 -0.0024 -0.4860 -0.0150  0.0003  0.0250 -0.3388 -0.0164  0.2662 -0.0147      0.0000  0.0016 -0.6221  0.0102 -0.0043  0.0261  0.2669  0.0074  0.3427  0.0138
  o =  0.5050  v =  0.0647  0.0469  0.0059 -0.3799 -0.0000 -0.0062  0.0229 -0.8302 -0.0037  0.0033      0.0000  0.3828  0.0169  0.0440 -0.0304 -0.0059 -0.0035  0.0981  0.0056 -0.0031
  o =  0.5061  v =  0.1909 -0.0741  0.0110 -0.1759 -0.0007  0.3281  0.0567  0.0069 -0.0042 -0.3279      0.0000 -0.1800  0.0353  0.0699 -0.0793  0.8033 -0.0055 -0.0038  0.0252  0.1330
  o =  0.5066  v = -0.8736 -0.0128 -0.0014 -0.0637 -0.0007  0.0715 -0.1765 -0.0637  0.0010 -0.0696      0.0000 -0.0105  0.0044  0.0187  0.3492  0.1790  0.0002  0.0068 -0.1792  0.0292
  o =  0.5584  v =  0.0025  0.0042 -0.6052  0.0047  0.0005  0.0165  0.0826 -0.0028 -0.5522  0.0026      0.0000 -0.0023 -0.0928 -0.0129  0.0033  0.0019 -0.5523  0.0048 -0.0861 -0.0192
  o =  0.5669  v =  0.0182 -0.0654  0.0032  0.5879 -0.0003 -0.0007 -0.0159 -0.5412  0.0034 -0.0030      0.0000 -0.5903  0.0041 -0.0631  0.0248 -0.0012  0.0029  0.0585 -0.0062  0.0025
  o =  0.5808  v = -0.1343 -0.0138 -0.0008 -0.3552  0.0009 -0.0152  0.1256 -0.0033 -0.0015 -0.6801      0.0000 -0.3630 -0.0126  0.0095 -0.2134 -0.4366 -0.0006  0.0015  0.0913  0.0225
  o =  0.5838  v =  0.4216 -0.0018  0.0014 -0.1325 -0.0008 -0.0047 -0.3466  0.0148  0.0034 -0.2123      0.0000 -0.0895 -0.0041  0.0060  0.6981 -0.1314  0.0025 -0.0015 -0.3555  0.0076
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5221  0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0239
  0.0001  0.4687  0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0000  0.0721  0.0002
 -0.0001  0.0000  0.5236 -0.0000  0.0001     -0.0000  0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.4691  0.0001     -0.0000 -0.0721 -0.0000  0.0000 -0.0001
 -0.0000  0.0000  0.0001  0.0001  0.4731     -0.0239 -0.0002 -0.0000  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0115  0.0000 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0116  0.0000
 -0.0117 -0.0006  0.0000  0.0000  0.0004      0.0000 -0.0002 -0.0181 -0.0000 -0.0857
 -0.0000  0.0000 -0.0000 -0.0192 -0.0000     -0.0000  0.0191 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0181 -0.0003 -0.0851      0.0116  0.0001  0.0000 -0.0003  0.0005
 -0.0000 -0.0006 -0.0000  0.0838 -0.0007      0.0001  0.0833  0.0000 -0.0005 -0.0003
 
spin component  3
 
  0.0000 -0.0117 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0116 -0.0001
  0.0115 -0.0006  0.0000  0.0000 -0.0006     -0.0001  0.0002 -0.0191 -0.0001 -0.0833
  0.0000  0.0000 -0.0000  0.0181 -0.0000      0.0000  0.0181  0.0000 -0.0000 -0.0000
 -0.0001  0.0000 -0.0192 -0.0003  0.0838      0.0116  0.0000  0.0000  0.0003  0.0005
 -0.0000  0.0004 -0.0000 -0.0851 -0.0007     -0.0000  0.0857 -0.0000 -0.0005  0.0003
 
spin component  4
 
  0.5220 -0.0000 -0.0001  0.0001  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0237
 -0.0000  0.4565 -0.0000 -0.0001 -0.0000     -0.0000  0.0000  0.0000 -0.0693  0.0001
 -0.0001 -0.0000  0.5239  0.0000 -0.0001      0.0000 -0.0000 -0.0000 -0.0000 -0.0000
  0.0001 -0.0001  0.0000  0.4561 -0.0001     -0.0000  0.0693  0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0001 -0.0001  0.4625      0.0237 -0.0001  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3017  v = -0.0014  0.0348  0.0002 -0.0157  0.0023  0.0006  0.5767 -0.0001  0.0010  0.0169      0.0000 -0.0145 -0.0000 -0.0331  0.5752 -0.0003 -0.0032  0.0001  0.5763  0.0378
  o =  0.3070  v =  0.0001  0.0566 -0.0002  0.5585  0.0359  0.0008  0.0126 -0.0001  0.0379 -0.6011      0.0000  0.5584  0.0001 -0.0581  0.0116  0.0061 -0.0364 -0.0002  0.0114  0.0620
  o =  0.4990  v = -0.0183  0.0058  0.6136  0.0037  0.0006 -0.0103  0.2487  0.0094 -0.4176 -0.0052      0.0000 -0.0085  0.3773 -0.0012  0.0129  0.0076 -0.4178  0.0037 -0.2633 -0.0082
  o =  0.5040  v = -0.0367 -0.4186 -0.0057  0.0583  0.0003  0.0486 -0.0033  0.1668  0.0037 -0.0505      0.0000 -0.1153  0.0106 -0.3921  0.0201  0.0955  0.0032 -0.7809 -0.0154  0.0244
  o =  0.5047  v = -0.0689 -0.1890  0.0070  0.1318 -0.0010  0.7842 -0.0139  0.1016 -0.0032  0.1516      0.0000  0.0346  0.0083  0.2212  0.0341 -0.3185 -0.0041  0.0330 -0.0216  0.3731
  o =  0.5061  v =  0.8708 -0.0306  0.0189  0.0119  0.0005  0.0668  0.2023  0.0166 -0.0076  0.0092      0.0000 -0.0024  0.0127  0.0011 -0.3934 -0.0227 -0.0069 -0.0334  0.1922  0.0295
  o =  0.5502  v =  0.0164  0.0061 -0.5274  0.0018  0.0020  0.0091  0.3228 -0.0038 -0.3888 -0.0024      0.0000 -0.0039 -0.4494 -0.0019  0.0128 -0.0033 -0.3876 -0.0032 -0.3369 -0.0090
  o =  0.5608  v = -0.0162  0.5435 -0.0019 -0.1588 -0.0002  0.0099  0.0046  0.1908 -0.0026  0.0462      0.0000  0.2096  0.0037  0.5317 -0.0192  0.0408 -0.0022 -0.5581  0.0128 -0.0111
  o =  0.5697  v = -0.0573  0.3038  0.0059 -0.2377 -0.0001  0.4316  0.0372  0.0377  0.0067 -0.3639      0.0000 -0.1508  0.0021 -0.3063 -0.0784 -0.2754  0.0064  0.0022  0.0423 -0.5709
  o =  0.5745  v = -0.4810 -0.0510 -0.0082  0.0320  0.0011 -0.0462  0.3638 -0.0086 -0.0117  0.0405      0.0000  0.0107 -0.0090  0.0188 -0.7103  0.0282 -0.0103  0.0127  0.3435  0.0664
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5221  0.0003 -0.0001  0.0001  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0236
  0.0003  0.4584 -0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0001  0.0695  0.0005
 -0.0001 -0.0000  0.5238 -0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0001
  0.0001 -0.0001 -0.0001  0.4587  0.0005     -0.0000 -0.0695 -0.0000 -0.0000  0.0002
  0.0000 -0.0001 -0.0000  0.0005  0.4644     -0.0236 -0.0005 -0.0001 -0.0002  0.0000
 
spin component  2
 
  0.0001  0.0115 -0.0000 -0.0000  0.0001     -0.0000  0.0000  0.0000 -0.0116  0.0002
 -0.0116 -0.0028 -0.0001 -0.0001  0.0005     -0.0000  0.0008 -0.0189  0.0004 -0.0837
 -0.0000  0.0000  0.0000 -0.0182 -0.0001      0.0000  0.0183 -0.0000 -0.0000 -0.0000
  0.0001 -0.0002  0.0189 -0.0019 -0.0835      0.0115  0.0002  0.0000  0.0011  0.0004
  0.0001 -0.0005 -0.0001  0.0845 -0.0028      0.0003  0.0846 -0.0001 -0.0006  0.0012
 
spin component  3
 
  0.0001 -0.0116 -0.0000  0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0115 -0.0003
  0.0115 -0.0028  0.0000 -0.0002 -0.0005     -0.0000 -0.0008 -0.0183 -0.0002 -0.0846
 -0.0000 -0.0001  0.0000  0.0189 -0.0001     -0.0000  0.0189  0.0000 -0.0000  0.0001
 -0.0000 -0.0001 -0.0182 -0.0019  0.0845      0.0116 -0.0004  0.0000 -0.0011  0.0006
  0.0001  0.0005 -0.0001 -0.0835 -0.0028     -0.0002  0.0837  0.0000 -0.0004 -0.0012
 
spin component  4
 
  0.5221 -0.0003 -0.0001 -0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0001 -0.0237
 -0.0003  0.4664  0.0000 -0.0002  0.0002      0.0000  0.0000  0.0000 -0.0711  0.0007
 -0.0001  0.0000  0.5237  0.0001  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0001
 -0.0001 -0.0002  0.0001  0.4660 -0.0005     -0.0001  0.0711 -0.0000  0.0000  0.0003
 -0.0000  0.0002  0.0000 -0.0005  0.4708      0.0237 -0.0007  0.0001 -0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3030  v = -0.0023  0.5094 -0.0004  0.1598  0.0142  0.0021  0.2143 -0.0001  0.0155 -0.1629      0.0000  0.1605  0.0006 -0.5057  0.2283  0.0007 -0.0103  0.0004  0.2073  0.5152
  o =  0.3072  v =  0.0045  0.2006 -0.0005  0.0724 -0.0095  0.0004 -0.5230 -0.0004 -0.0071 -0.0740      0.0000  0.0769  0.0002 -0.2089 -0.5545  0.0002  0.0113 -0.0008 -0.5264  0.2027
  o =  0.4999  v =  0.0863  0.4514  0.0027  0.1766 -0.0003 -0.0176  0.0398  0.2598 -0.0008  0.0109      0.0000 -0.1629  0.0194  0.4387 -0.0597 -0.0147 -0.0012  0.6816  0.0149 -0.0124
  o =  0.5030  v =  0.0554  0.0122 -0.7695  0.0483 -0.0013 -0.0773  0.0134  0.0166  0.4267  0.0821      0.0000  0.0273 -0.0085 -0.0288 -0.0316 -0.1405  0.4266 -0.0155  0.0231 -0.0429
  o =  0.5049  v =  0.8012  0.0225  0.0958  0.0068  0.0005 -0.2492  0.1904 -0.0383 -0.0454  0.0475      0.0000  0.0435 -0.0343 -0.1065 -0.3819 -0.0985 -0.0450 -0.0850  0.2238 -0.1221
  o =  0.5059  v =  0.2897 -0.1785 -0.1018 -0.0728 -0.0004  0.7442  0.1107  0.0080  0.0491 -0.1455      0.0000 -0.0755  0.0948  0.1667 -0.1277  0.3201  0.0483 -0.0137  0.0238  0.3384
  o =  0.5517  v =  0.0553 -0.4903 -0.0064 -0.1883 -0.0000 -0.0100 -0.0278  0.2344 -0.0055 -0.0152      0.0000  0.1710  0.0059 -0.4803  0.0526 -0.0187 -0.0054  0.6335 -0.0199  0.0098
  o =  0.5579  v =  0.0315 -0.0043 -0.6106 -0.0361  0.0007 -0.0300 -0.0125  0.0001 -0.5515 -0.0765      0.0000 -0.0330 -0.0053  0.0265  0.0317 -0.0676 -0.5519 -0.0122 -0.0229  0.0333
  o =  0.5692  v =  0.4524 -0.1121  0.0457 -0.0323 -0.0004 -0.2266 -0.2921 -0.0198  0.0523 -0.1070      0.0000 -0.0781 -0.0229  0.2025  0.5990 -0.0795  0.0521 -0.0388 -0.3425  0.3067
  o =  0.5739  v =  0.2342  0.3087 -0.0254  0.1021  0.0001  0.4007 -0.2216  0.0046 -0.0316  0.2144      0.0000  0.1130  0.0385 -0.2790  0.3328  0.1468 -0.0317 -0.0125 -0.1244 -0.5840
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5208 -0.0004 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0291
 -0.0004  0.4736  0.0000 -0.0002  0.0001     -0.0000 -0.0000 -0.0000  0.0881 -0.0011
 -0.0001  0.0000  0.5233  0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0002  0.4733 -0.0008      0.0000 -0.0881  0.0000  0.0000 -0.0001
 -0.0000  0.0001 -0.0000 -0.0008  0.4839     -0.0291  0.0011 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0140  0.0000 -0.0001 -0.0000     -0.0000  0.0001 -0.0001 -0.0140 -0.0004
 -0.0140  0.0051 -0.0000 -0.0001  0.0003     -0.0000 -0.0005 -0.0215 -0.0007 -0.1124
 -0.0000  0.0001 -0.0000 -0.0215  0.0003     -0.0000  0.0216 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0215  0.0041 -0.1126      0.0140 -0.0006  0.0000 -0.0006  0.0004
 -0.0001 -0.0006  0.0004  0.1123  0.0056     -0.0003  0.1125  0.0000 -0.0005 -0.0004
 
spin component  3
 
 -0.0000 -0.0140 -0.0000  0.0000 -0.0001      0.0000  0.0000  0.0000 -0.0140  0.0003
  0.0140  0.0051  0.0001  0.0001 -0.0006     -0.0001  0.0005 -0.0216  0.0006 -0.1125
  0.0000 -0.0000 -0.0000  0.0215  0.0004      0.0001  0.0215  0.0000 -0.0000 -0.0000
 -0.0001 -0.0001 -0.0215  0.0041  0.1123      0.0140  0.0007  0.0000  0.0006  0.0005
 -0.0000  0.0003  0.0003 -0.1126  0.0056      0.0004  0.1124 -0.0000 -0.0004  0.0004
 
spin component  4
 
  0.5208  0.0004 -0.0000  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0291
  0.0004  0.4724 -0.0000 -0.0000 -0.0002      0.0000  0.0000 -0.0001 -0.0880 -0.0012
 -0.0000 -0.0000  0.5233 -0.0002  0.0000      0.0000  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0000 -0.0002  0.4727  0.0009      0.0000  0.0880 -0.0000 -0.0000 -0.0001
  0.0000 -0.0002  0.0000  0.0009  0.4829      0.0291  0.0012  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2651  v =  0.0042  0.3919  0.0001  0.0353  0.0006  0.0043 -0.4166 -0.0000  0.0002 -0.0373      0.0000  0.0353 -0.0009 -0.3821 -0.4343  0.0004 -0.0011  0.0009 -0.4072  0.4106
  o =  0.2702  v = -0.0029  0.4066  0.0003  0.0512 -0.0145  0.0034  0.3879 -0.0002 -0.0158 -0.0534      0.0000  0.0526 -0.0009 -0.4165  0.4033  0.0004  0.0124 -0.0008  0.3979  0.4254
  o =  0.5060  v = -0.1422  0.1450 -0.1746 -0.0231  0.0013 -0.2733 -0.3296 -0.0191  0.0681 -0.0340      0.0000 -0.0099 -0.7563  0.0497  0.0499  0.0989  0.0716  0.2444  0.2779 -0.0963
  o =  0.5063  v = -0.2858  0.3024  0.0911  0.0519 -0.0008  0.0321  0.0538  0.0983 -0.0363  0.0239      0.0000 -0.0266  0.2560  0.3102  0.0988 -0.0647 -0.0381  0.7746 -0.1500  0.0119
  o =  0.5074  v =  0.5797 -0.0205  0.0231  0.0225 -0.0000  0.6364  0.0093  0.0417 -0.0074  0.0150      0.0000 -0.0063 -0.2417  0.1924 -0.1745 -0.0496 -0.0079  0.2375  0.1836  0.1919
  o =  0.5079  v = -0.6613 -0.1629  0.0164  0.0035 -0.0002  0.6129 -0.1576 -0.0034 -0.0063  0.0103      0.0000  0.0076 -0.1582  0.0264  0.1914 -0.0361 -0.0072 -0.1947 -0.0465  0.1770
  o =  0.5773  v =  0.0107  0.0742 -0.4586  0.1546  0.0007 -0.0027  0.1441 -0.0969 -0.5746  0.0724      0.0000 -0.0927 -0.1207  0.0768  0.0155  0.0474 -0.5780 -0.0597 -0.1594  0.0048
  o =  0.5782  v = -0.0460 -0.6054 -0.0427 -0.0492  0.0005 -0.0131  0.1638  0.0345 -0.0540 -0.0052      0.0000  0.0409 -0.1067 -0.5874 -0.0715 -0.0036 -0.0540  0.4679 -0.1032  0.0189
  o =  0.6104  v = -0.2468 -0.2394 -0.0077  0.0059  0.0000 -0.2608  0.2155 -0.0083 -0.0138 -0.0173      0.0000 -0.0250  0.0298  0.3299 -0.5110 -0.0082 -0.0143 -0.0252  0.3224  0.5388
  o =  0.6183  v =  0.2481 -0.3104 -0.0012 -0.0066 -0.0007 -0.2349 -0.3187 -0.0020 -0.0017 -0.0209      0.0000 -0.0146  0.0193  0.2245  0.5502 -0.0092 -0.0030  0.0224 -0.2463  0.5195
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5207  0.0002 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0291
  0.0002  0.4702  0.0000 -0.0002 -0.0000     -0.0000  0.0000  0.0000  0.0879  0.0003
 -0.0001  0.0000  0.5233 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0001
 -0.0000 -0.0002 -0.0000  0.4699  0.0001     -0.0000 -0.0879  0.0000  0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0001  0.4813     -0.0291 -0.0003 -0.0001  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0140 -0.0000 -0.0000 -0.0000     -0.0000  0.0001  0.0000 -0.0140  0.0002
 -0.0140 -0.0016 -0.0000  0.0001  0.0003     -0.0000 -0.0001 -0.0219  0.0002 -0.1125
  0.0000  0.0000  0.0000 -0.0214 -0.0001     -0.0000  0.0214  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0219 -0.0011 -0.1128      0.0141  0.0002  0.0000 -0.0002  0.0004
 -0.0000 -0.0005 -0.0001  0.1130 -0.0018      0.0002  0.1134  0.0000 -0.0004 -0.0004
 
spin component  3
 
  0.0000 -0.0140  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0141 -0.0002
  0.0140 -0.0016  0.0000 -0.0001 -0.0005     -0.0001  0.0001 -0.0214 -0.0002 -0.1134
 -0.0000 -0.0000  0.0000  0.0219 -0.0001     -0.0000  0.0219 -0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0214 -0.0011  0.1130      0.0140 -0.0002  0.0000  0.0002  0.0004
 -0.0000  0.0003 -0.0001 -0.1128 -0.0018     -0.0002  0.1125 -0.0000 -0.0004  0.0004
 
spin component  4
 
  0.5208 -0.0002 -0.0001  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0292
 -0.0002  0.4763 -0.0000 -0.0000  0.0001      0.0000  0.0000  0.0000 -0.0891  0.0004
 -0.0001 -0.0000  0.5232  0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0001
  0.0000 -0.0000  0.0001  0.4765 -0.0001     -0.0000  0.0891  0.0000 -0.0000  0.0001
  0.0000  0.0001  0.0000 -0.0001  0.4860      0.0292 -0.0004  0.0001 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.2656  v =  0.0020 -0.5429 -0.0001  0.0690  0.0033 -0.0043 -0.1669  0.0001  0.0038 -0.0709      0.0000  0.0680 -0.0004  0.5414 -0.1769  0.0006 -0.0026 -0.0001 -0.1630 -0.5585
  o =  0.2684  v = -0.0059 -0.1646  0.0000  0.0231 -0.0035 -0.0011  0.5408 -0.0000 -0.0039 -0.0235      0.0000  0.0235 -0.0002  0.1686  0.5726 -0.0000  0.0031  0.0005  0.5421 -0.1692
  o =  0.5057  v = -0.0424 -0.3471  0.0064  0.0339  0.0002 -0.0263 -0.0112  0.0891 -0.0028 -0.0042      0.0000 -0.0389 -0.0094 -0.3563  0.0170  0.0079 -0.0027 -0.8595 -0.0038 -0.0086
  o =  0.5069  v =  0.0101 -0.0039  0.8364 -0.0231 -0.0009  0.0293  0.0976 -0.0077 -0.3117 -0.0412      0.0000 -0.0174  0.2592  0.0055 -0.0023  0.1245 -0.3133  0.0028 -0.0957  0.0078
  o =  0.5073  v = -0.9051 -0.0260 -0.0112 -0.0049 -0.0001  0.2267 -0.1398 -0.0006  0.0028 -0.0083      0.0000 -0.0038  0.0279  0.0490  0.2715  0.0305  0.0022  0.0349 -0.1581  0.0697
  o =  0.5076  v =  0.2308 -0.1522 -0.0736 -0.0138 -0.0009  0.8921  0.0690  0.0155  0.0283 -0.0337      0.0000 -0.0222  0.0940  0.1278 -0.0670  0.1129  0.0265 -0.0336  0.0032  0.2654
  o =  0.5754  v = -0.0125  0.6014  0.0023 -0.0911 -0.0007 -0.0041  0.0094  0.0786  0.0027  0.0086      0.0000  0.1008 -0.0015  0.6070 -0.0194  0.0066  0.0020 -0.4943  0.0068  0.0052
  o =  0.5819  v =  0.0068 -0.0025 -0.3959 -0.0076 -0.0008 -0.0077 -0.3363  0.0002 -0.5300 -0.0183      0.0000 -0.0073  0.2471  0.0091  0.0090 -0.0105 -0.5303 -0.0021  0.3257  0.0132
  o =  0.6129  v =  0.3097 -0.1750  0.0026  0.0450  0.0006 -0.1697 -0.3304 -0.0003  0.0048  0.0852      0.0000  0.0425 -0.0078  0.1982  0.6517  0.0402  0.0051 -0.0066 -0.3579  0.3613
  o =  0.6164  v = -0.1715 -0.3427 -0.0035  0.0849  0.0005 -0.2944  0.2080 -0.0044 -0.0065  0.1493      0.0000  0.0678 -0.0073  0.3165 -0.3703  0.0682 -0.0058  0.0072  0.1796  0.6440
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5221  0.0000  0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0237
  0.0000  0.4686  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0715  0.0001
  0.0000  0.0000  0.5236 -0.0000  0.0001      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.4684  0.0001     -0.0000 -0.0715 -0.0000  0.0000 -0.0000
  0.0000  0.0000  0.0001  0.0001  0.4726     -0.0237 -0.0001  0.0000  0.0000  0.0000
 
spin component  2
 
  0.0000  0.0116  0.0000  0.0000 -0.0000     -0.0000 -0.0001  0.0000 -0.0115 -0.0000
 -0.0116 -0.0004 -0.0000  0.0000  0.0002     -0.0001 -0.0003 -0.0181  0.0002 -0.0848
 -0.0000  0.0000 -0.0000 -0.0191 -0.0000      0.0000  0.0190  0.0000 -0.0000 -0.0000
  0.0001  0.0002  0.0180 -0.0006 -0.0844      0.0116  0.0001 -0.0000 -0.0003  0.0001
 -0.0000 -0.0001 -0.0001  0.0829 -0.0005      0.0000  0.0829  0.0000 -0.0001 -0.0003
 
spin component  3
 
  0.0000 -0.0116 -0.0000  0.0001 -0.0000      0.0000  0.0001 -0.0000 -0.0116 -0.0000
  0.0116 -0.0004  0.0000  0.0002 -0.0001      0.0001  0.0003 -0.0190 -0.0001 -0.0829
  0.0000 -0.0000 -0.0000  0.0180 -0.0001     -0.0000  0.0181 -0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0191 -0.0006  0.0829      0.0115 -0.0002  0.0000  0.0003  0.0001
 -0.0000  0.0002 -0.0000 -0.0844 -0.0005      0.0000  0.0848  0.0000 -0.0001  0.0003
 
spin component  4
 
  0.5221 -0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0236
 -0.0000  0.4561 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0688  0.0002
 -0.0000 -0.0000  0.5238  0.0000 -0.0001      0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.4561 -0.0002     -0.0000  0.0688  0.0000 -0.0000 -0.0001
 -0.0000 -0.0000 -0.0001 -0.0002  0.4623      0.0236 -0.0002  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3028  v = -0.0013  0.0271  0.0001 -0.0170  0.0058  0.0004  0.5775  0.0001  0.0060  0.0182      0.0000 -0.0161  0.0001 -0.0256  0.5754 -0.0002 -0.0065  0.0001  0.5763  0.0294
  o =  0.3080  v =  0.0001 -0.5351 -0.0002  0.1713 -0.0075 -0.0056  0.0312  0.0000 -0.0068 -0.1840      0.0000  0.1710 -0.0001  0.5354  0.0304  0.0018  0.0086 -0.0000  0.0326 -0.5757
  o =  0.4987  v =  0.0037 -0.0042 -0.3016  0.0043  0.0013  0.0254 -0.4456  0.0054  0.2067  0.0003      0.0000 -0.0036 -0.6488  0.0121 -0.0032 -0.0012  0.2078  0.0049  0.4499  0.0172
  o =  0.5038  v = -0.0344 -0.3759  0.0051  0.1504  0.0002 -0.0563 -0.0123  0.2917 -0.0023 -0.0057      0.0000 -0.1570 -0.0083 -0.4075  0.0183  0.0117 -0.0021 -0.7445 -0.0046 -0.0290
  o =  0.5046  v =  0.0604  0.2492 -0.0131 -0.0328  0.0015 -0.8448  0.0036 -0.0256  0.0054 -0.0384      0.0000 -0.0094 -0.0226 -0.1993 -0.0298  0.0779  0.0070  0.0463  0.0271 -0.4085
  o =  0.5059  v = -0.8685  0.0305 -0.0033 -0.0072  0.0005 -0.0583 -0.2014 -0.0144  0.0015 -0.0018      0.0000  0.0058 -0.0064  0.0021  0.3989  0.0068  0.0024  0.0352 -0.1984 -0.0269
  o =  0.5497  v = -0.0084 -0.0027  0.3002  0.0061  0.0021 -0.0157 -0.4528 -0.0092  0.2159 -0.0016      0.0000 -0.0076  0.6300  0.0098 -0.0078 -0.0014  0.2179 -0.0056  0.4615  0.0135
  o =  0.5601  v =  0.0139 -0.5335 -0.0076  0.1883 -0.0001  0.0011 -0.0126 -0.2004 -0.0064 -0.0038      0.0000 -0.1927  0.0050 -0.5347  0.0162 -0.0055 -0.0070  0.5620 -0.0019 -0.0014
  o =  0.5688  v = -0.0430  0.2641  0.0117 -0.2523 -0.0000  0.3771  0.0263  0.0032  0.0128 -0.4679      0.0000 -0.2475  0.0024 -0.2597 -0.0578 -0.3586  0.0122 -0.0003  0.0324 -0.4907
  o =  0.5732  v = -0.4886 -0.0355 -0.0048  0.0258 -0.0008 -0.0295  0.3595 -0.0040 -0.0054  0.0399      0.0000  0.0161 -0.0066  0.0080 -0.7098  0.0281 -0.0067  0.0117  0.3472  0.0422
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5221  0.0002  0.0000  0.0001  0.0000      0.0000  0.0000  0.0000  0.0000  0.0235
  0.0002  0.4584 -0.0000 -0.0000 -0.0001     -0.0000  0.0000  0.0000  0.0688  0.0006
  0.0000 -0.0000  0.5238 -0.0002 -0.0001     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0001 -0.0000 -0.0002  0.4579  0.0005     -0.0000 -0.0688 -0.0000  0.0000  0.0002
  0.0000 -0.0001 -0.0001  0.0005  0.4640     -0.0235 -0.0006 -0.0000 -0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0116 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0114  0.0001
 -0.0114 -0.0026 -0.0000 -0.0001  0.0002     -0.0000  0.0007 -0.0188  0.0003 -0.0824
 -0.0000  0.0000  0.0000 -0.0181 -0.0002      0.0000  0.0182 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0189 -0.0021 -0.0828      0.0115  0.0004 -0.0000  0.0011  0.0001
  0.0001 -0.0001 -0.0002  0.0836 -0.0025      0.0002  0.0842 -0.0001 -0.0001  0.0012
 
spin component  3
 
  0.0000 -0.0114 -0.0000  0.0000  0.0001      0.0000  0.0000 -0.0000 -0.0115 -0.0002
  0.0116 -0.0026  0.0000 -0.0001 -0.0001     -0.0000 -0.0007 -0.0182 -0.0004 -0.0842
 -0.0000 -0.0000  0.0000  0.0189 -0.0002     -0.0000  0.0188  0.0000  0.0000  0.0001
 -0.0000 -0.0001 -0.0181 -0.0021  0.0836      0.0114 -0.0003  0.0000 -0.0011  0.0001
  0.0000  0.0002 -0.0002 -0.0828 -0.0025     -0.0001  0.0824  0.0000 -0.0001 -0.0012
 
spin component  4
 
  0.5221 -0.0002 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0236
 -0.0002  0.4657  0.0000 -0.0001  0.0001      0.0000 -0.0000  0.0000 -0.0706  0.0005
 -0.0000  0.0000  0.5236  0.0002  0.0001      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0001  0.0002  0.4662 -0.0005      0.0000  0.0706 -0.0000 -0.0000  0.0003
 -0.0000  0.0001  0.0001 -0.0005  0.4704      0.0236 -0.0005  0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3040  v = -0.0021  0.4931 -0.0005  0.2331 -0.0076  0.0020  0.1836  0.0000 -0.0038 -0.2363      0.0000  0.2325  0.0004 -0.4900  0.1958  0.0010  0.0104  0.0003  0.1773  0.4988
  o =  0.3084  v =  0.0048  0.1685 -0.0003  0.0685 -0.0094  0.0001 -0.5349 -0.0003 -0.0077 -0.0694      0.0000  0.0723  0.0002 -0.1774 -0.5667  0.0001  0.0105 -0.0008 -0.5374  0.1704
  o =  0.4995  v = -0.0937 -0.4541 -0.0103 -0.1588 -0.0001 -0.0005 -0.0326 -0.2356  0.0062 -0.0032      0.0000  0.1547 -0.0064 -0.4553  0.0641  0.0025  0.0065 -0.6833 -0.0265 -0.0016
  o =  0.5027  v = -0.0702 -0.0317  0.5779 -0.0266 -0.0003  0.1362 -0.3036 -0.0076 -0.3251 -0.0443      0.0000 -0.0150 -0.5016  0.0416  0.0388  0.0782 -0.3254  0.0065  0.2603  0.0789
  o =  0.5046  v =  0.7901  0.0175  0.0906  0.0224  0.0003 -0.2321  0.1709 -0.0330 -0.0458  0.0746      0.0000  0.0558 -0.0772 -0.1047 -0.3845 -0.1525 -0.0453 -0.0871  0.2464 -0.1155
  o =  0.5058  v = -0.3003  0.1742  0.1005  0.1066  0.0007 -0.6754 -0.1065  0.0050 -0.0475  0.2025      0.0000  0.0998 -0.0751 -0.1431  0.1358 -0.4374 -0.0459  0.0330 -0.0364 -0.3113
  o =  0.5509  v = -0.0585  0.4809  0.0056  0.1725  0.0003 -0.0068  0.0094 -0.2235  0.0056  0.0084      0.0000 -0.1638  0.0188  0.4882 -0.0543  0.0088  0.0057 -0.6443  0.0395  0.0077
  o =  0.5574  v = -0.0304  0.0459  0.3413 -0.0021 -0.0003  0.0693  0.4742  0.0134  0.3051  0.0173      0.0000  0.0177 -0.5130 -0.0223 -0.0318  0.0166  0.3042 -0.0148 -0.4399 -0.0757
  o =  0.5682  v =  0.4751 -0.0854  0.0332 -0.0463 -0.0000 -0.1893 -0.2864 -0.0162  0.0370 -0.1256      0.0000 -0.0827 -0.0372  0.1719  0.6177 -0.0951  0.0370 -0.0392 -0.3671  0.2499
  o =  0.5727  v =  0.2043  0.3134 -0.0337  0.1455 -0.0003  0.4002 -0.1833 -0.0000 -0.0403  0.2888      0.0000  0.1454  0.0286 -0.2638  0.2879  0.2012 -0.0403 -0.0212 -0.1151 -0.5733
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5208 -0.0004 -0.0001 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0001  0.0302
 -0.0004  0.4771  0.0000 -0.0002  0.0001     -0.0000 -0.0000 -0.0001  0.0958 -0.0012
 -0.0001  0.0000  0.5232  0.0002  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0001
 -0.0001 -0.0002  0.0002  0.4773 -0.0009      0.0001 -0.0958  0.0000 -0.0000 -0.0001
  0.0001  0.0001  0.0000 -0.0009  0.4872     -0.0302  0.0012 -0.0001  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0145  0.0000 -0.0001 -0.0000      0.0000  0.0001 -0.0000 -0.0146 -0.0004
 -0.0146  0.0054 -0.0001 -0.0001  0.0010     -0.0002 -0.0004 -0.0226 -0.0006 -0.1193
  0.0000  0.0001  0.0000 -0.0227  0.0003     -0.0001  0.0227  0.0000 -0.0001 -0.0000
  0.0001 -0.0000  0.0226  0.0042 -0.1192      0.0146 -0.0006  0.0001 -0.0006  0.0009
 -0.0000 -0.0007  0.0003  0.1192  0.0057     -0.0004  0.1190  0.0000 -0.0007 -0.0005
 
spin component  3
 
 -0.0001 -0.0146  0.0000  0.0001 -0.0000     -0.0000  0.0002  0.0001 -0.0146  0.0004
  0.0145  0.0054  0.0001 -0.0000 -0.0007     -0.0001  0.0004 -0.0227  0.0006 -0.1190
  0.0000 -0.0001  0.0000  0.0226  0.0003      0.0000  0.0226 -0.0000 -0.0001 -0.0000
 -0.0001 -0.0001 -0.0227  0.0042  0.1192      0.0146  0.0006  0.0001  0.0006  0.0007
 -0.0000  0.0010  0.0003 -0.1192  0.0057      0.0004  0.1193  0.0000 -0.0009  0.0005
 
spin component  4
 
  0.5208  0.0004 -0.0001  0.0001 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0302
  0.0004  0.4762 -0.0000 -0.0004 -0.0001     -0.0000  0.0000 -0.0001 -0.0956 -0.0012
 -0.0001 -0.0000  0.5232 -0.0002 -0.0000     -0.0000  0.0001  0.0000  0.0000 -0.0001
  0.0001 -0.0004 -0.0002  0.4761  0.0009      0.0000  0.0956 -0.0000  0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0009  0.4863      0.0302  0.0012  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2545  v =  0.0039  0.3846 -0.0000  0.0372  0.0060  0.0039 -0.4242 -0.0001  0.0056 -0.0396      0.0000  0.0376 -0.0007 -0.3748 -0.4404  0.0004 -0.0059  0.0009 -0.4152  0.4011
  o =  0.2597  v = -0.0026  0.4173  0.0003  0.0182  0.0150  0.0032  0.3805 -0.0003  0.0132 -0.0202      0.0000  0.0210 -0.0010 -0.4268  0.3943  0.0001 -0.0162 -0.0008  0.3907  0.4346
  o =  0.5070  v =  0.3190 -0.2022 -0.0494  0.0137 -0.0014  0.4266  0.2764  0.0375  0.0204  0.0041      0.0000 -0.0101  0.6254 -0.0651 -0.0990 -0.0158  0.0167 -0.3760 -0.1724  0.1329
  o =  0.5073  v = -0.4199  0.1883  0.0723  0.0839  0.0001  0.1773  0.0918  0.2016 -0.0254  0.0265      0.0000 -0.0555  0.4401  0.2385  0.1279 -0.0810 -0.0281  0.6044 -0.2204  0.0536
  o =  0.5079  v =  0.4326  0.0203  0.1357  0.0128  0.0013  0.6235 -0.0572  0.0643 -0.0457 -0.0129      0.0000 -0.0274 -0.3741  0.2130 -0.1210  0.0521 -0.0442  0.3504  0.1927  0.1739
  o =  0.5082  v = -0.6497 -0.1920  0.0151 -0.0377  0.0007  0.5183 -0.1688 -0.0703 -0.0071 -0.0232      0.0000  0.0128 -0.2260 -0.0416  0.1763  0.0802 -0.0054 -0.3549 -0.0206  0.1406
  o =  0.5872  v =  0.0203  0.0656 -0.4393  0.0905  0.0011  0.0093 -0.0296 -0.0387 -0.6229  0.0781      0.0000 -0.0234  0.0087  0.0498  0.0336  0.0457 -0.6239 -0.0402 -0.0060 -0.0163
  o =  0.5884  v = -0.0449 -0.6333 -0.0469 -0.0526  0.0005 -0.0105  0.0829  0.0324 -0.0669 -0.0086      0.0000  0.0399 -0.0353 -0.6143 -0.0789 -0.0062 -0.0670  0.4335 -0.0157  0.0179
  o =  0.6199  v = -0.2314 -0.2320 -0.0129  0.0127 -0.0007 -0.2484  0.2144 -0.0095 -0.0245 -0.0108      0.0000 -0.0246  0.0276  0.3438 -0.5101 -0.0052 -0.0258 -0.0293  0.3209  0.5473
  o =  0.6280  v =  0.2380 -0.3102  0.0044 -0.0022  0.0011 -0.2217 -0.3274 -0.0033  0.0084 -0.0170      0.0000 -0.0146  0.0207  0.2226  0.5575 -0.0075  0.0091  0.0212 -0.2433  0.5192
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5208  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0302
  0.0001  0.4735 -0.0000 -0.0003 -0.0001     -0.0000  0.0000  0.0000  0.0951  0.0003
 -0.0001 -0.0000  0.5233 -0.0001  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0001
  0.0000 -0.0003 -0.0001  0.4735  0.0001     -0.0000 -0.0951 -0.0000 -0.0000 -0.0001
  0.0000 -0.0001  0.0000  0.0001  0.4843     -0.0302 -0.0003 -0.0001  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0145 -0.0000 -0.0001  0.0000      0.0000  0.0001  0.0000 -0.0146  0.0001
 -0.0146 -0.0014 -0.0001  0.0001  0.0011     -0.0002 -0.0000 -0.0229  0.0003 -0.1190
  0.0000  0.0001 -0.0000 -0.0224 -0.0001      0.0000  0.0224  0.0000 -0.0001  0.0000
  0.0001 -0.0000  0.0229 -0.0012 -0.1189      0.0146  0.0003  0.0001 -0.0000  0.0009
 -0.0000 -0.0008 -0.0001  0.1195 -0.0018      0.0001  0.1195 -0.0001 -0.0008 -0.0004
 
spin component  3
 
  0.0000 -0.0146  0.0000  0.0001 -0.0000     -0.0000  0.0002 -0.0000 -0.0146 -0.0001
  0.0145 -0.0014  0.0001 -0.0000 -0.0008     -0.0001  0.0000 -0.0224 -0.0003 -0.1195
 -0.0000 -0.0001 -0.0000  0.0229 -0.0001     -0.0000  0.0229 -0.0000 -0.0001  0.0001
 -0.0001  0.0001 -0.0224 -0.0012  0.1195      0.0146 -0.0003  0.0001  0.0000  0.0008
  0.0000  0.0011 -0.0001 -0.1189 -0.0018     -0.0001  0.1190 -0.0000 -0.0009  0.0004
 
spin component  4
 
  0.5208 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0302
 -0.0001  0.4799 -0.0000 -0.0003  0.0001      0.0000 -0.0000  0.0000 -0.0963  0.0003
 -0.0001 -0.0000  0.5231  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0001
 -0.0000 -0.0003  0.0001  0.4798 -0.0001      0.0000  0.0963  0.0000  0.0000  0.0000
  0.0000  0.0001  0.0000 -0.0001  0.4892      0.0302 -0.0003  0.0001 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2557  v =  0.0017 -0.5503 -0.0001  0.0250  0.0115 -0.0040 -0.1568  0.0002  0.0111 -0.0246      0.0000  0.0230 -0.0003  0.5489 -0.1653  0.0002 -0.0101 -0.0002 -0.1530 -0.5643
  o =  0.2585  v = -0.0054 -0.1551  0.0003  0.0195  0.0054 -0.0009  0.5446  0.0001  0.0042 -0.0193      0.0000  0.0192 -0.0001  0.1589  0.5741 -0.0000 -0.0065  0.0002  0.5458 -0.1589
  o =  0.5068  v =  0.1081  0.3121  0.0122 -0.0605  0.0005  0.0228  0.0209 -0.1572 -0.0043 -0.0071      0.0000  0.0544  0.0132  0.3190 -0.0344  0.0332 -0.0042  0.8683  0.0137  0.0062
  o =  0.5077  v = -0.8116 -0.0222 -0.0702  0.0309  0.0007  0.3487 -0.1489 -0.0335  0.0215  0.0837      0.0000  0.0571 -0.0644  0.0845  0.2312 -0.2918  0.0227  0.0890 -0.1038  0.1008
  o =  0.5078  v = -0.3745  0.0689  0.5027 -0.0440 -0.0018 -0.4068  0.0836  0.0139 -0.1688 -0.0960      0.0000 -0.0554  0.4208 -0.0512  0.1070  0.3340 -0.1717  0.0318 -0.2004 -0.1160
  o =  0.5080  v =  0.2741 -0.0842  0.4835  0.0542 -0.0006  0.4744  0.1659 -0.0185 -0.1595  0.1175      0.0000  0.0706  0.3790  0.0555 -0.0750 -0.4231 -0.1607 -0.0442 -0.0859  0.1321
  o =  0.5848  v = -0.0112  0.6283  0.0013  0.0214 -0.0006 -0.0003 -0.0127 -0.0087  0.0012  0.0175      0.0000 -0.0016  0.0148  0.6279 -0.0189  0.0115  0.0011 -0.4565  0.0283 -0.0003
  o =  0.5915  v = -0.0165  0.0002  0.4275 -0.0117 -0.0004  0.0015  0.0234  0.0140  0.6379  0.0220      0.0000  0.0301 -0.0049 -0.0036 -0.0285  0.0122  0.6376  0.0013  0.0090 -0.0036
  o =  0.6219  v =  0.2999 -0.1634  0.0118  0.0547  0.0003 -0.1516 -0.3423 -0.0032  0.0225  0.0932      0.0000  0.0411 -0.0042  0.1887  0.6672  0.0417  0.0233 -0.0061 -0.3593  0.3420
  o =  0.6254  v = -0.1545 -0.3445 -0.0064  0.1036  0.0006 -0.2826  0.2013 -0.0073 -0.0143  0.1738      0.0000  0.0741 -0.0086  0.3228 -0.3533  0.0749 -0.0136  0.0056  0.1670  0.6538
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5216 -0.0001 -0.0001  0.0002  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0254
 -0.0001  0.4645 -0.0000 -0.0002 -0.0002      0.0000  0.0000  0.0000  0.0788 -0.0004
 -0.0001 -0.0000  0.5232  0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0001
  0.0002 -0.0002  0.0000  0.4643 -0.0001      0.0000 -0.0788 -0.0000 -0.0000  0.0003
  0.0000 -0.0002  0.0000 -0.0001  0.4707     -0.0254  0.0004 -0.0001 -0.0003 -0.0000
 
spin component  2
 
 -0.0000  0.0125 -0.0000 -0.0001  0.0002     -0.0000  0.0001  0.0000 -0.0124 -0.0002
 -0.0124  0.0015 -0.0001 -0.0001  0.0008     -0.0001  0.0006 -0.0201 -0.0002 -0.0935
 -0.0000  0.0001  0.0000 -0.0198  0.0001     -0.0000  0.0198  0.0000 -0.0001 -0.0000
  0.0001 -0.0001  0.0201  0.0011 -0.0934      0.0124 -0.0002  0.0000  0.0014  0.0008
  0.0001 -0.0008  0.0000  0.0937  0.0019     -0.0001  0.0939 -0.0001 -0.0008  0.0015
 
spin component  3
 
 -0.0000 -0.0124 -0.0000  0.0001  0.0001      0.0000  0.0001  0.0000 -0.0124  0.0001
  0.0125  0.0015  0.0001 -0.0001 -0.0008     -0.0001 -0.0006 -0.0198  0.0002 -0.0939
 -0.0000 -0.0001  0.0000  0.0201  0.0000     -0.0000  0.0201 -0.0000 -0.0000  0.0001
 -0.0001 -0.0001 -0.0198  0.0011  0.0937      0.0124  0.0002  0.0001 -0.0014  0.0008
  0.0002  0.0008  0.0001 -0.0934  0.0019      0.0002  0.0935  0.0000 -0.0008 -0.0015
 
spin component  4
 
  0.5216  0.0001 -0.0001 -0.0002 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0254
  0.0001  0.4693  0.0000 -0.0004  0.0002      0.0000 -0.0000 -0.0000 -0.0798 -0.0003
 -0.0001  0.0000  0.5232 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0001
 -0.0002 -0.0004 -0.0000  0.4692  0.0001      0.0000  0.0798 -0.0000  0.0000  0.0003
 -0.0000  0.0002  0.0000  0.0001  0.4742      0.0254  0.0003  0.0001 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2895  v =  0.0021  0.3821 -0.0006 -0.3600  0.0042  0.0019 -0.2329 -0.0004  0.0076  0.3661      0.0000 -0.3568 -0.0002 -0.3784 -0.2461 -0.0017 -0.0014  0.0004 -0.2317  0.3890
  o =  0.2923  v = -0.0038  0.1685 -0.0000 -0.1629 -0.0038  0.0006  0.5188  0.0002 -0.0032  0.1654      0.0000 -0.1653 -0.0000 -0.1723  0.5413 -0.0005  0.0037 -0.0003  0.5189  0.1710
  o =  0.5035  v =  0.0706 -0.3368 -0.0647  0.2101 -0.0011 -0.0105  0.0040  0.4351  0.0321 -0.0118      0.0000 -0.2239 -0.0265 -0.3457 -0.0373  0.0212  0.0313 -0.6845  0.0305 -0.0079
  o =  0.5049  v =  0.0264  0.0480 -0.8268 -0.0266  0.0008 -0.0649 -0.0272 -0.0223  0.3774 -0.0360      0.0000 -0.0066 -0.0770  0.0193 -0.0141  0.0771  0.3780  0.0722  0.0441 -0.0310
  o =  0.5062  v =  0.7579 -0.0674 -0.0167  0.0362  0.0003  0.4151  0.1536 -0.0219  0.0100  0.0896      0.0000  0.0577 -0.0212  0.1078 -0.3033 -0.2186  0.0106  0.0469  0.1712  0.1679
  o =  0.5067  v =  0.4710  0.1471  0.0952 -0.0829 -0.0008 -0.6731  0.1130 -0.0367 -0.0360 -0.1362      0.0000 -0.0571  0.0432 -0.1222 -0.1812  0.3514 -0.0372  0.0343  0.0778 -0.2619
  o =  0.5628  v =  0.0298  0.4540 -0.0335 -0.3295  0.0017 -0.0163 -0.0003  0.3383 -0.0343  0.0179      0.0000  0.3493 -0.0158  0.4754  0.0375  0.0165 -0.0324 -0.4633 -0.0330  0.0201
  o =  0.5672  v = -0.0267  0.0519  0.5393 -0.0215  0.0003  0.0196 -0.0095  0.0095  0.5905 -0.0269      0.0000 -0.0013  0.0238  0.0271 -0.0312 -0.0198  0.5905 -0.0359  0.0441 -0.0281
  o =  0.5824  v = -0.3620 -0.1594 -0.0037  0.1342  0.0003 -0.2039  0.3011  0.0047 -0.0050  0.2767      0.0000  0.1489  0.0003  0.1775 -0.5778  0.1705 -0.0049 -0.0066  0.3032  0.3287
  o =  0.5864  v =  0.2557 -0.2569  0.0321  0.2168  0.0011 -0.2655 -0.2267 -0.0169  0.0474  0.3786      0.0000  0.1671  0.0030  0.1983  0.4287  0.2242  0.0481  0.0201 -0.2164  0.4495
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5217  0.0002 -0.0001 -0.0001  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0251
  0.0002  0.4634  0.0000 -0.0003  0.0001      0.0000 -0.0000  0.0000  0.0770  0.0005
 -0.0001  0.0000  0.5233 -0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0001
 -0.0001 -0.0003 -0.0001  0.4634  0.0001     -0.0000 -0.0770  0.0000  0.0000 -0.0001
  0.0000  0.0001  0.0000  0.0001  0.4698     -0.0251 -0.0005 -0.0001  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0123  0.0000 -0.0001 -0.0001      0.0000  0.0001  0.0000 -0.0122  0.0002
 -0.0123 -0.0021 -0.0001  0.0000  0.0007     -0.0001 -0.0003 -0.0199  0.0002 -0.0919
 -0.0000  0.0001  0.0000 -0.0195 -0.0001      0.0000  0.0194 -0.0000 -0.0000  0.0000
  0.0001  0.0001  0.0199 -0.0014 -0.0921      0.0123  0.0003  0.0001 -0.0007  0.0007
 -0.0001 -0.0007 -0.0001  0.0926 -0.0025      0.0002  0.0925  0.0000 -0.0008 -0.0007
 
spin component  3
 
  0.0000 -0.0123 -0.0000  0.0001 -0.0001     -0.0000  0.0001 -0.0000 -0.0123 -0.0002
  0.0123 -0.0021  0.0001  0.0001 -0.0007     -0.0001  0.0003 -0.0194 -0.0003 -0.0925
  0.0000 -0.0001  0.0000  0.0199 -0.0001     -0.0000  0.0199  0.0000 -0.0001 -0.0000
 -0.0001  0.0000 -0.0195 -0.0014  0.0926      0.0122 -0.0002  0.0000  0.0007  0.0008
 -0.0001  0.0007 -0.0001 -0.0921 -0.0025     -0.0002  0.0919 -0.0000 -0.0007  0.0007
 
spin component  4
 
  0.5217 -0.0002 -0.0001  0.0001 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0252
 -0.0002  0.4686 -0.0000 -0.0003 -0.0001     -0.0000 -0.0000  0.0000 -0.0781  0.0005
 -0.0001 -0.0000  0.5232  0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0001
  0.0001 -0.0003  0.0001  0.4688 -0.0001      0.0000  0.0781 -0.0000 -0.0000 -0.0002
 -0.0000 -0.0001 -0.0000 -0.0001  0.4739      0.0252 -0.0005  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2917  v =  0.0021 -0.4926 -0.0004  0.1934 -0.0095 -0.0026 -0.2236  0.0003 -0.0065 -0.1960      0.0000  0.1907 -0.0005  0.4895 -0.2355  0.0009  0.0110 -0.0002 -0.2185 -0.5020
  o =  0.2947  v = -0.0040 -0.2130  0.0002  0.0658 -0.0191 -0.0008  0.5216 -0.0001 -0.0186 -0.0666      0.0000  0.0666 -0.0001  0.2191  0.5469  0.0003  0.0180  0.0005  0.5238 -0.2165
  o =  0.5029  v = -0.0815 -0.4135  0.0465  0.0593  0.0012  0.0103 -0.0306  0.1326 -0.0242 -0.0175      0.0000 -0.0788 -0.0198 -0.4087  0.0438  0.0295 -0.0235 -0.7874 -0.0101  0.0043
  o =  0.5045  v = -0.0437  0.0048  0.3228 -0.0012  0.0023  0.0860 -0.3685  0.0294 -0.1548 -0.0346      0.0000 -0.0310 -0.7552  0.0436  0.0213  0.0721 -0.1506  0.0506  0.3447  0.0418
  o =  0.5060  v =  0.7914  0.0514  0.0024 -0.0116  0.0003 -0.3842  0.1377  0.0027  0.0022 -0.0257      0.0000 -0.0160 -0.0827 -0.1162 -0.3234  0.0587  0.0029 -0.0745  0.2098 -0.1596
  o =  0.5067  v = -0.3990  0.1717 -0.0533 -0.0313  0.0012 -0.7914 -0.1118 -0.0302  0.0203 -0.0413      0.0000 -0.0111 -0.0747 -0.1505  0.1554  0.1063  0.0218  0.0269 -0.0517 -0.3130
  o =  0.5605  v =  0.0330 -0.5542 -0.0214  0.1071  0.0004  0.0004 -0.0183 -0.1259 -0.0209 -0.0244      0.0000 -0.1337  0.0028 -0.5545  0.0389 -0.0226 -0.0208  0.5784 -0.0159 -0.0006
  o =  0.5654  v = -0.0260 -0.0249  0.5289  0.0201  0.0013  0.0010  0.1886  0.0001  0.5595  0.0443      0.0000  0.0183 -0.1619 -0.0242 -0.0305  0.0336  0.5606  0.0226 -0.1547  0.0005
  o =  0.5805  v = -0.3794  0.1688 -0.0081 -0.0742 -0.0005  0.2406  0.2834  0.0048 -0.0107 -0.1333      0.0000 -0.0623  0.0183 -0.2209 -0.5902 -0.0837 -0.0114  0.0192  0.3359 -0.3799
  o =  0.5848  v =  0.2454  0.3106  0.0250 -0.1216  0.0010  0.3429 -0.2306  0.0158  0.0357 -0.1939      0.0000 -0.0751  0.0150 -0.2680  0.4039 -0.1168  0.0363 -0.0144 -0.1873 -0.5718
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5217 -0.0000 -0.0001  0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0257
 -0.0000  0.4679  0.0000 -0.0003  0.0000      0.0000 -0.0000 -0.0000  0.0802 -0.0001
 -0.0001  0.0000  0.5232  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0001
  0.0001 -0.0003  0.0000  0.4680 -0.0000      0.0000 -0.0802 -0.0000  0.0000  0.0001
 -0.0000  0.0000 -0.0000 -0.0000  0.4735     -0.0257  0.0001 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0126 -0.0000 -0.0000  0.0001     -0.0000  0.0001 -0.0000 -0.0126 -0.0000
 -0.0125  0.0006 -0.0000 -0.0000  0.0008     -0.0001  0.0001 -0.0200 -0.0000 -0.0951
 -0.0000  0.0001 -0.0000 -0.0201  0.0000     -0.0000  0.0201  0.0000 -0.0001  0.0000
  0.0001  0.0000  0.0200  0.0005 -0.0952      0.0125 -0.0000  0.0001  0.0005  0.0009
  0.0001 -0.0008  0.0000  0.0952  0.0007     -0.0000  0.0953 -0.0000 -0.0007  0.0007
 
spin component  3
 
 -0.0000 -0.0125 -0.0000  0.0001  0.0001      0.0000  0.0001  0.0000 -0.0125  0.0000
  0.0126  0.0006  0.0001  0.0000 -0.0008     -0.0001 -0.0001 -0.0201  0.0000 -0.0953
 -0.0000 -0.0000 -0.0000  0.0200  0.0000      0.0000  0.0200 -0.0000 -0.0001  0.0000
 -0.0000 -0.0000 -0.0201  0.0005  0.0952      0.0126  0.0000  0.0001 -0.0005  0.0007
  0.0001  0.0008  0.0000 -0.0952  0.0007      0.0000  0.0951 -0.0000 -0.0009 -0.0007
 
spin component  4
 
  0.5216  0.0000 -0.0001 -0.0001  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0257
  0.0000  0.4669 -0.0000 -0.0003 -0.0000      0.0000  0.0000 -0.0000 -0.0801 -0.0002
 -0.0001 -0.0000  0.5232 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0001
 -0.0001 -0.0003 -0.0000  0.4669  0.0001      0.0000  0.0801 -0.0000 -0.0000  0.0001
  0.0000 -0.0000  0.0000  0.0001  0.4731      0.0257  0.0002  0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2885  v = -0.0031 -0.2079  0.0004  0.2463  0.0034 -0.0014  0.4720  0.0002  0.0011 -0.2551      0.0000  0.2445  0.0000  0.2052  0.4873  0.0017 -0.0045 -0.0003  0.4719 -0.2148
  o =  0.2894  v =  0.0019 -0.3129 -0.0000  0.3532  0.0063 -0.0020 -0.3219  0.0000  0.0059 -0.3654      0.0000  0.3528 -0.0001  0.3126 -0.3309  0.0022 -0.0062 -0.0001 -0.3222 -0.3234
  o =  0.5044  v =  0.0313 -0.0756 -0.8103  0.0272  0.0001 -0.0039  0.0205  0.0792  0.3816 -0.0197      0.0000 -0.0467  0.0218 -0.0782 -0.0175  0.0421  0.3817 -0.1634 -0.0006 -0.0032
  o =  0.5046  v =  0.0277 -0.3452  0.1842  0.1332 -0.0010 -0.0124 -0.0024  0.3072 -0.0849 -0.0145      0.0000 -0.1503 -0.0162 -0.3524 -0.0125  0.0284 -0.0854 -0.7556  0.0129 -0.0059
  o =  0.5065  v =  0.5721 -0.1064 -0.0005  0.0964  0.0003  0.5302  0.1089  0.0179  0.0020  0.1735      0.0000  0.0868 -0.0196  0.1100 -0.2228 -0.4488  0.0025  0.0001  0.1251  0.2050
  o =  0.5068  v =  0.6951  0.1022  0.0368 -0.0851 -0.0000 -0.4381  0.1459 -0.0316 -0.0130 -0.1401      0.0000 -0.0619  0.0156 -0.0731 -0.2669  0.3685 -0.0129  0.0401  0.1330 -0.1670
  o =  0.5657  v =  0.0253  0.1102 -0.5426 -0.0166  0.0001 -0.0047 -0.0273  0.0233 -0.5759  0.0162      0.0000  0.0319  0.0095  0.1173  0.0311  0.0132 -0.5760 -0.1069 -0.0064  0.0078
  o =  0.5668  v =  0.0054  0.3978  0.0923 -0.4019  0.0016 -0.0161 -0.0654  0.3804  0.0988  0.0183      0.0000  0.4223  0.0579  0.4178  0.0087  0.0162  0.1012 -0.3764  0.0591  0.0177
  o =  0.5859  v =  0.3226  0.1587  0.0091 -0.2082 -0.0010  0.1744 -0.2753  0.0040  0.0138 -0.3920      0.0000 -0.1969 -0.0011 -0.1428  0.5389 -0.2344  0.0127 -0.0054 -0.2791 -0.2909
  o =  0.5875  v = -0.2883  0.1886 -0.0182 -0.2405 -0.0007  0.1886  0.2510  0.0110 -0.0273 -0.4336      0.0000 -0.2064  0.0001 -0.1421 -0.4901 -0.2556 -0.0273 -0.0158  0.2514 -0.3211
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5216  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0255
  0.0000  0.4719  0.0001 -0.0004  0.0002     -0.0000  0.0000 -0.0000  0.0805  0.0000
 -0.0001  0.0001  0.5231 -0.0000 -0.0001      0.0000  0.0000  0.0000  0.0000  0.0001
 -0.0000 -0.0004 -0.0000  0.4715 -0.0000      0.0000 -0.0805 -0.0000 -0.0000 -0.0003
  0.0000  0.0002 -0.0001 -0.0000  0.4760     -0.0255 -0.0000 -0.0001  0.0003 -0.0000
 
spin component  2
 
 -0.0000  0.0124  0.0000 -0.0001 -0.0001     -0.0000  0.0001 -0.0000 -0.0124 -0.0000
 -0.0124 -0.0000 -0.0001  0.0002  0.0008     -0.0001 -0.0009 -0.0195 -0.0000 -0.0941
  0.0000  0.0000 -0.0000 -0.0204 -0.0000      0.0000  0.0204 -0.0000 -0.0001  0.0001
  0.0000  0.0002  0.0196 -0.0001 -0.0945      0.0125  0.0000  0.0000 -0.0009  0.0007
 -0.0001 -0.0009  0.0000  0.0930  0.0000      0.0000  0.0936  0.0001 -0.0010 -0.0009
 
spin component  3
 
 -0.0000 -0.0124  0.0000  0.0000 -0.0001      0.0000  0.0001 -0.0000 -0.0125 -0.0000
  0.0124 -0.0000  0.0000  0.0002 -0.0009     -0.0001  0.0009 -0.0204 -0.0000 -0.0936
  0.0000 -0.0001 -0.0000  0.0196  0.0000      0.0000  0.0195  0.0000 -0.0000 -0.0001
 -0.0001  0.0002 -0.0204 -0.0001  0.0930      0.0124  0.0000  0.0001  0.0009  0.0010
 -0.0001  0.0008 -0.0000 -0.0945  0.0000      0.0000  0.0941 -0.0001 -0.0007  0.0009
 
spin component  4
 
  0.5216 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0253
 -0.0000  0.4620 -0.0001 -0.0002 -0.0002      0.0000 -0.0000  0.0000 -0.0785 -0.0000
 -0.0001 -0.0001  0.5233  0.0000  0.0001     -0.0000 -0.0000 -0.0000 -0.0000 -0.0001
  0.0000 -0.0002  0.0000  0.4623  0.0000     -0.0000  0.0785  0.0000  0.0000 -0.0001
 -0.0000 -0.0002  0.0001  0.0000  0.4691      0.0253  0.0000  0.0001  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.2887  v = -0.0020 -0.0063  0.0003 -0.0642  0.0125  0.0000  0.5717 -0.0003  0.0114  0.0681      0.0000 -0.0614 -0.0000  0.0069  0.5765 -0.0007 -0.0141  0.0000  0.5724 -0.0069
  o =  0.2926  v =  0.0002 -0.1145 -0.0001 -0.5499 -0.0080 -0.0010 -0.0663  0.0001 -0.0079  0.5827      0.0000 -0.5512 -0.0003  0.1166 -0.0638 -0.0049  0.0086  0.0003 -0.0632 -0.1220
  o =  0.5028  v =  0.0111 -0.0133 -0.7998 -0.0013  0.0007  0.0438  0.0536 -0.0020  0.4144  0.0005      0.0000  0.0012  0.0940  0.0077 -0.0086  0.0003  0.4150 -0.0051 -0.0425  0.0220
  o =  0.5054  v =  0.1100 -0.0481  0.0106 -0.3791 -0.0001  0.1350  0.0217 -0.8298 -0.0041 -0.0276      0.0000  0.3489 -0.0038  0.0179 -0.0470  0.0647 -0.0048 -0.0337  0.0238  0.0594
  o =  0.5062  v =  0.1085  0.1003 -0.0038 -0.1666 -0.0007 -0.1934  0.0413  0.0397  0.0020 -0.3377      0.0000 -0.1985  0.0424  0.0175 -0.0444  0.8512  0.0017  0.1475  0.0050 -0.0768
  o =  0.5068  v = -0.8874  0.0062 -0.0155 -0.0642  0.0003 -0.0063 -0.1738 -0.1019  0.0017 -0.0435      0.0000  0.0181  0.0071  0.0042  0.3465  0.1146  0.0023  0.0139 -0.1785 -0.0020
  o =  0.5608  v = -0.0206 -0.0153  0.5608 -0.0019  0.0023 -0.0147  0.1898  0.0032  0.5403  0.0039      0.0000  0.0048 -0.1854 -0.0004 -0.0212  0.0033  0.5420  0.0083 -0.1662  0.0167
  o =  0.5698  v =  0.0227  0.0304  0.0022  0.6093 -0.0001  0.0429 -0.0053 -0.5237  0.0027  0.0207      0.0000 -0.5871 -0.0081 -0.0313  0.0308  0.0160  0.0030  0.0008 -0.0230 -0.0566
  o =  0.5832  v = -0.0867  0.0977 -0.0021 -0.3488 -0.0005  0.0527  0.0860 -0.0134 -0.0025 -0.6953      0.0000 -0.3836 -0.0101  0.0096 -0.1413 -0.4340 -0.0027 -0.0383  0.0578 -0.0841
  o =  0.5860  v = -0.4244 -0.0177 -0.0135  0.0973 -0.0008 -0.0079  0.3511 -0.0173 -0.0190  0.1404      0.0000  0.0488  0.0080 -0.0031 -0.7195  0.0842 -0.0203  0.0073  0.3719  0.0139
     EDDAV:  cpu time   71.9448: real time   72.7494
       DOS:  cpu time    0.0438: real time    0.0440
    CHARGE:  cpu time    1.1107: real time    1.1209
    MIXING:  cpu time    0.0296: real time    0.0301
    --------------------------------------------
      LOOP:  cpu time   74.0507: real time   74.8742

 eigenvalue-minimisations  : 12816
 total energy-change (2. order) : 0.2375350E+03  (-0.2089394E+03)
 number of electron    1039.9999743 magnetization      -0.0026786     -0.0037240      0.0039640
 augmentation part       31.7601072 magnetization       0.0162019      0.0087527     -0.0159446

 Broyden mixing:
  rms(total) = 0.74036E+01    rms(broyden)= 0.74022E+01
  rms(prec ) = 0.81902E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9192
  0.9192

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17658.34869157
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2501.93275252
  PAW double counting   =     68948.07030412   -67712.47858705
  entropy T*S    EENTRO =         0.20400529
  eigenvalues    EBANDS =     -5989.68504880
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1117.78075977 eV

  energy without entropy =    -1117.98476506  energy(sigma->0) =    -1117.84876153


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.4820: real time    0.4875
    SETDIJ:  cpu time    0.4517: real time    0.4538
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5901  0.0001 -0.0002  0.0002 -0.0002      0.0000 -0.0002  0.0000  0.0001  0.0042
  0.0001  0.5538  0.0001 -0.0000  0.0005      0.0002 -0.0000  0.0001  0.0003 -0.0003
 -0.0002  0.0001  0.5912 -0.0003  0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0001
  0.0002 -0.0000 -0.0003  0.5537 -0.0002     -0.0001 -0.0003 -0.0000  0.0000  0.0001
 -0.0002  0.0005  0.0000 -0.0002  0.5616     -0.0042  0.0003 -0.0001 -0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0017  0.0002 -0.0000  0.0008      0.0001  0.0000 -0.0001 -0.0017  0.0001
 -0.0015  0.0010  0.0000  0.0002  0.0002      0.0000  0.0007 -0.0038 -0.0002  0.0054
 -0.0002  0.0001  0.0002 -0.0041 -0.0001     -0.0000  0.0040 -0.0002 -0.0000 -0.0003
 -0.0002 -0.0001  0.0036  0.0015  0.0052      0.0015  0.0002 -0.0002  0.0008  0.0001
  0.0003 -0.0006  0.0001 -0.0054  0.0014     -0.0000 -0.0057 -0.0001 -0.0001  0.0004
 
spin component  3
 
 -0.0000 -0.0015 -0.0002 -0.0002  0.0003     -0.0001 -0.0000  0.0000 -0.0015  0.0000
  0.0017  0.0010  0.0001 -0.0001 -0.0006     -0.0000 -0.0007 -0.0040 -0.0002  0.0057
  0.0002  0.0000  0.0002  0.0036  0.0001      0.0001  0.0038  0.0002  0.0002  0.0001
 -0.0000  0.0002 -0.0041  0.0015 -0.0054      0.0017  0.0002  0.0000 -0.0008  0.0001
  0.0008  0.0002 -0.0001  0.0052  0.0014     -0.0001 -0.0054  0.0003 -0.0001 -0.0004
 
spin component  4
 
  0.5904 -0.0000  0.0001 -0.0002  0.0002     -0.0000  0.0003  0.0001 -0.0001 -0.0042
 -0.0000  0.5576 -0.0003 -0.0000 -0.0006     -0.0003  0.0000 -0.0001 -0.0014 -0.0005
  0.0001 -0.0003  0.5918  0.0001 -0.0001     -0.0001  0.0001  0.0000 -0.0000 -0.0001
 -0.0002 -0.0000  0.0001  0.5575  0.0003      0.0001  0.0014  0.0000 -0.0000  0.0005
  0.0002 -0.0006 -0.0001  0.0003  0.5636      0.0042  0.0005  0.0001 -0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5482  v =  0.0264 -0.3819  0.0203  0.4370  0.0082  0.0599  0.1751  0.0026 -0.1409  0.3472      0.0000  0.4549  0.0083  0.3466 -0.1887 -0.0666 -0.0713 -0.0053  0.1170  0.3183
  o =  0.5502  v = -0.0933  0.1283  0.0108  0.0998 -0.0018  0.0083 -0.5096 -0.0097 -0.0733  0.0863      0.0000  0.1933 -0.0011  0.3271  0.5138 -0.0372 -0.0382  0.0452 -0.5274  0.0268
  o =  0.5535  v = -0.0371 -0.6215  0.0135  0.3477 -0.0269  0.0047 -0.2006  0.0640  0.0210 -0.0088      0.0000 -0.2519 -0.0083 -0.5451  0.2076 -0.0096 -0.1100 -0.1239 -0.1202  0.0000
  o =  0.5584  v = -0.0035 -0.0009 -0.1101  0.1197 -0.0025 -0.0077  0.4324  0.0096  0.4830  0.1275      0.0000  0.0484  0.1067 -0.0788  0.0155 -0.0261  0.5194 -0.0032 -0.4962 -0.0036
  o =  0.5662  v =  0.0768  0.1655  0.0156  0.1501  0.1505  0.0308 -0.3305  0.0022  0.0887 -0.2943      0.0000  0.0759 -0.0005 -0.1530 -0.6603  0.0483 -0.1287 -0.0024 -0.3750  0.3032
  o =  0.5682  v =  0.0501 -0.3066  0.0011 -0.0566 -0.0938 -0.0915 -0.2104 -0.0102 -0.0543  0.1514      0.0000 -0.0538 -0.0009  0.2695 -0.4125 -0.0035  0.1016 -0.0073 -0.1586 -0.7291
  o =  0.5907  v = -0.9444 -0.0021 -0.1183  0.0127  0.0098  0.0080  0.0235 -0.0793 -0.0066  0.0231      0.0000  0.0045 -0.0266 -0.0003 -0.1205  0.2656 -0.0144  0.0008  0.0163 -0.0068
  o =  0.5911  v =  0.2660  0.0054 -0.1297  0.0117  0.0042  0.0844  0.0013  0.1172 -0.0100  0.1357      0.0000  0.0332 -0.1130  0.0006  0.0589  0.9236 -0.0116 -0.0421 -0.0228 -0.0054
  o =  0.5920  v =  0.0444 -0.0355 -0.8015 -0.0239  0.0043 -0.0123  0.0392  0.2155 -0.0853 -0.0286      0.0000  0.0188 -0.3843 -0.0359 -0.0078 -0.1828 -0.0953  0.3215 -0.0476 -0.0093
  o =  0.5928  v = -0.1268  0.0019  0.3338 -0.0972  0.0024  0.1009  0.0161  0.8979  0.0361 -0.0083      0.0000  0.0926 -0.1723 -0.0025 -0.0230 -0.0591  0.0430  0.0156 -0.0139 -0.0214
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5891 -0.0001  0.0001 -0.0000 -0.0000     -0.0000 -0.0003  0.0002  0.0000  0.0039
 -0.0001  0.5525 -0.0001  0.0001 -0.0003      0.0003  0.0000 -0.0001 -0.0031  0.0004
  0.0001 -0.0001  0.5908 -0.0000  0.0002     -0.0002  0.0001  0.0000  0.0003  0.0002
 -0.0000  0.0001 -0.0000  0.5526 -0.0001     -0.0000  0.0031 -0.0003 -0.0000 -0.0002
 -0.0000 -0.0003  0.0002 -0.0001  0.5589     -0.0039 -0.0004 -0.0002  0.0002  0.0000
 
spin component  2
 
 -0.0000  0.0014  0.0004  0.0004  0.0002     -0.0002 -0.0001  0.0006 -0.0015  0.0002
 -0.0014 -0.0011 -0.0003  0.0003 -0.0004     -0.0000 -0.0009 -0.0035 -0.0000  0.0093
  0.0001 -0.0005 -0.0004 -0.0034 -0.0002     -0.0001  0.0038  0.0002 -0.0001 -0.0001
 -0.0000  0.0001  0.0033 -0.0009  0.0086      0.0017  0.0002 -0.0003 -0.0002  0.0002
 -0.0002  0.0002 -0.0001 -0.0090 -0.0013      0.0000 -0.0089 -0.0001  0.0002 -0.0006
 
spin component  3
 
 -0.0000 -0.0014  0.0001 -0.0000 -0.0002      0.0002  0.0000  0.0001 -0.0017 -0.0000
  0.0014 -0.0011 -0.0005  0.0001  0.0002      0.0001  0.0009 -0.0038 -0.0002  0.0089
  0.0004 -0.0003 -0.0004  0.0033 -0.0001     -0.0006  0.0035 -0.0002  0.0003  0.0001
  0.0004  0.0003 -0.0034 -0.0009 -0.0090      0.0015  0.0000  0.0001  0.0002 -0.0002
  0.0002 -0.0004 -0.0002  0.0086 -0.0013     -0.0002 -0.0093  0.0001 -0.0002  0.0006
 
spin component  4
 
  0.5904  0.0001 -0.0002  0.0001  0.0000      0.0000  0.0002  0.0000  0.0000 -0.0039
  0.0001  0.5554  0.0001 -0.0001  0.0003     -0.0002 -0.0000  0.0001  0.0019  0.0006
 -0.0002  0.0001  0.5912  0.0000 -0.0002     -0.0000 -0.0001 -0.0000 -0.0002 -0.0002
  0.0001 -0.0001  0.0000  0.5552  0.0002     -0.0000 -0.0019  0.0002  0.0000 -0.0001
  0.0000  0.0003 -0.0002  0.0002  0.5622      0.0039 -0.0006  0.0002  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5438  v =  0.0697  0.4116  0.0095 -0.1859  0.0400 -0.0481  0.4396 -0.0080 -0.0450 -0.1473      0.0000 -0.0523  0.0094 -0.2050 -0.5283  0.0238 -0.0206  0.0132  0.3323 -0.3670
  o =  0.5462  v = -0.0607  0.2556  0.0108 -0.1890  0.0266 -0.0611 -0.2806  0.0054 -0.0701 -0.2273      0.0000 -0.2477 -0.0011 -0.5102  0.3876  0.0374 -0.0126 -0.0163 -0.3457 -0.4026
  o =  0.5491  v = -0.0258  0.6664  0.0113 -0.2006  0.0252 -0.0002 -0.0819 -0.0274 -0.0936  0.0069      0.0000  0.2167  0.0057  0.6130  0.1910 -0.0084 -0.0686  0.1135 -0.1446 -0.0131
  o =  0.5529  v =  0.0085  0.0162  0.0396 -0.0495 -0.0249 -0.0048 -0.6176 -0.0092 -0.2698  0.0687      0.0000  0.1117 -0.1184 -0.0730 -0.0008 -0.0119 -0.2683 -0.0015  0.6545 -0.0603
  o =  0.5706  v = -0.0677  0.1013 -0.0026  0.0092 -0.0256  0.0121  0.4871  0.0140 -0.0089 -0.0155      0.0000 -0.0162  0.0027 -0.1400  0.6894  0.0022  0.0037  0.0024  0.4638  0.1904
  o =  0.5719  v = -0.0312 -0.4160  0.0015  0.0858  0.0276 -0.0948  0.1189 -0.0161  0.0100 -0.1445      0.0000  0.0693  0.0025  0.4132  0.1990  0.0134 -0.0518 -0.0145  0.0946 -0.7391
  o =  0.5895  v =  0.9593  0.0069 -0.1471  0.0038  0.0006  0.0611  0.0006 -0.0425 -0.0141 -0.0300      0.0000 -0.0097 -0.0750  0.0066  0.1156 -0.1549 -0.0135 -0.0844 -0.0267 -0.0153
  o =  0.5904  v =  0.2392 -0.0253  0.5397 -0.0087 -0.0069 -0.4534 -0.0123  0.0876  0.0463  0.0798      0.0000  0.0097  0.0484 -0.0019  0.0249  0.6114  0.0502  0.2157  0.0050  0.0539
  o =  0.5915  v =  0.0805 -0.0622  0.1074 -0.0194  0.0019  0.4810 -0.0417  0.2498  0.0128 -0.0081      0.0000  0.0109  0.4890 -0.0543  0.0113 -0.0731  0.0063  0.6532  0.0427 -0.0763
  o =  0.5923  v =  0.0341  0.0633  0.0932  0.0016 -0.0085  0.2545 -0.0615  0.0132 -0.0025  0.0254      0.0000  0.0111  0.6354  0.0486  0.0128  0.2718  0.0074 -0.6578  0.0549 -0.0267
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5906 -0.0000  0.0001 -0.0001  0.0001     -0.0000 -0.0001  0.0001 -0.0001  0.0042
 -0.0000  0.5544  0.0002  0.0000  0.0007      0.0001  0.0000 -0.0002 -0.0001 -0.0002
  0.0001  0.0002  0.5915  0.0001  0.0002     -0.0001  0.0002  0.0000  0.0000 -0.0002
 -0.0001  0.0000  0.0001  0.5552  0.0002      0.0001  0.0001 -0.0000  0.0000  0.0000
  0.0001  0.0007  0.0002  0.0002  0.5622     -0.0042  0.0002  0.0002 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0018  0.0003  0.0001  0.0003      0.0002 -0.0003 -0.0002 -0.0015  0.0002
 -0.0015  0.0007 -0.0001  0.0002 -0.0002     -0.0001 -0.0000 -0.0038  0.0003  0.0071
 -0.0003 -0.0002  0.0002 -0.0037 -0.0001      0.0001  0.0040  0.0003 -0.0001  0.0004
  0.0002 -0.0002  0.0038  0.0007  0.0070      0.0017  0.0005 -0.0001 -0.0001 -0.0000
  0.0003 -0.0000  0.0001 -0.0068  0.0009      0.0000 -0.0073 -0.0001  0.0000 -0.0001
 
spin component  3
 
  0.0000 -0.0015 -0.0003  0.0002  0.0003     -0.0002  0.0001 -0.0001 -0.0017 -0.0000
  0.0018  0.0007 -0.0002 -0.0002 -0.0000      0.0003  0.0000 -0.0040 -0.0005  0.0073
  0.0003 -0.0001  0.0002  0.0038  0.0001      0.0002  0.0038 -0.0003  0.0001  0.0001
  0.0001  0.0002 -0.0037  0.0007 -0.0068      0.0015 -0.0003  0.0001  0.0001 -0.0000
  0.0003 -0.0002 -0.0001  0.0070  0.0009     -0.0002 -0.0071 -0.0004  0.0000  0.0001
 
spin component  4
 
  0.5896 -0.0000 -0.0002  0.0000 -0.0002      0.0000  0.0000 -0.0001  0.0001 -0.0041
 -0.0000  0.5552 -0.0003 -0.0001 -0.0008     -0.0000 -0.0000  0.0001  0.0003 -0.0002
 -0.0002 -0.0003  0.5911 -0.0001 -0.0001      0.0001 -0.0001 -0.0000  0.0000  0.0002
  0.0000 -0.0001 -0.0001  0.5540 -0.0003     -0.0001 -0.0003 -0.0000 -0.0000  0.0001
 -0.0002 -0.0008 -0.0001 -0.0003  0.5611      0.0041  0.0002 -0.0002 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5465  v =  0.0578 -0.2840  0.0021  0.3146 -0.0005  0.0489  0.3419 -0.0078 -0.0547  0.3997      0.0000  0.4364  0.0002  0.1821 -0.3557 -0.0620 -0.0175 -0.0085  0.3244  0.2745
  o =  0.5478  v =  0.0801  0.1550 -0.0051 -0.3060  0.0076 -0.0298  0.3834  0.0064  0.0485 -0.3039      0.0000 -0.2828 -0.0108 -0.1968 -0.4488  0.0555  0.0111 -0.0039  0.5365 -0.1481
  o =  0.5534  v =  0.0016 -0.0167  0.1114 -0.4207 -0.0224  0.0070 -0.1924 -0.0805 -0.5465 -0.0912      0.0000  0.3267 -0.0364  0.0509  0.0163  0.0110 -0.5773  0.0029  0.1212  0.0143
  o =  0.5543  v = -0.0164 -0.4378 -0.0598 -0.3498  0.0330  0.0025 -0.2876 -0.0795  0.2863  0.0099      0.0000  0.3619 -0.0481 -0.4909  0.0803  0.0008  0.2945 -0.0905  0.1853  0.0017
  o =  0.5679  v = -0.0608 -0.0703  0.0126 -0.3585 -0.0277 -0.0095  0.2099  0.0006 -0.0589  0.6538      0.0000 -0.3497 -0.0021  0.0819  0.4306 -0.0760  0.0159  0.0061  0.2347 -0.1064
  o =  0.5694  v =  0.0746 -0.0991 -0.0038 -0.2062 -0.0964 -0.0173 -0.3690  0.0147 -0.0664  0.3843      0.0000 -0.2150 -0.0003  0.0677 -0.6704 -0.0363  0.0731 -0.0094 -0.3139 -0.1962
  o =  0.5901  v = -0.1383  0.0085  0.0718 -0.0181  0.0051  0.0467 -0.0126  0.0068  0.0090 -0.1272      0.0000 -0.0191  0.1552  0.0097 -0.0274 -0.9564  0.0062 -0.1276  0.0185 -0.0005
  o =  0.5911  v =  0.9023 -0.0062 -0.0648 -0.0410  0.0015 -0.0344  0.0012  0.3268 -0.0016 -0.0119      0.0000  0.0288 -0.1551 -0.0085  0.1262 -0.1677 -0.0043  0.0387 -0.0351  0.0103
  o =  0.5918  v =  0.3791  0.0076  0.0550  0.0764  0.0109  0.0745 -0.0503 -0.7741  0.0106  0.0132      0.0000 -0.0820  0.4745  0.0086  0.0423  0.0310  0.0028 -0.0567  0.0390 -0.0112
  o =  0.5926  v =  0.0615  0.0623  0.7769  0.0064  0.0114  0.1549  0.0261 -0.0443  0.0794  0.0133      0.0000  0.0018 -0.3013  0.0454  0.0037  0.0739  0.0821 -0.4994 -0.0281 -0.0152
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5903  0.0001  0.0000  0.0002  0.0002     -0.0000  0.0000  0.0000  0.0000  0.0043
  0.0001  0.5576 -0.0001 -0.0001 -0.0000     -0.0000 -0.0000 -0.0000  0.0019  0.0000
  0.0000 -0.0001  0.5915 -0.0002 -0.0001     -0.0000  0.0000  0.0000  0.0000  0.0001
  0.0002 -0.0001 -0.0002  0.5572  0.0001     -0.0000 -0.0019 -0.0000 -0.0000 -0.0005
  0.0002 -0.0000 -0.0001  0.0001  0.5650     -0.0043 -0.0000 -0.0001  0.0005 -0.0000
 
spin component  2
 
 -0.0001  0.0018  0.0001 -0.0004 -0.0001      0.0002 -0.0002  0.0003 -0.0014  0.0002
 -0.0021  0.0005 -0.0003  0.0004 -0.0002     -0.0001 -0.0005 -0.0041 -0.0002  0.0066
  0.0000 -0.0002  0.0002 -0.0039  0.0002     -0.0001  0.0038 -0.0001  0.0001 -0.0001
 -0.0002  0.0001  0.0037  0.0004  0.0063      0.0016 -0.0001  0.0003 -0.0008  0.0001
  0.0002  0.0002 -0.0001 -0.0062  0.0003     -0.0001 -0.0057 -0.0002  0.0002 -0.0009
 
spin component  3
 
 -0.0001 -0.0021  0.0000 -0.0002  0.0002     -0.0002  0.0001  0.0001 -0.0016  0.0001
  0.0018  0.0005 -0.0002  0.0001  0.0002      0.0002  0.0005 -0.0038  0.0001  0.0057
  0.0001 -0.0003  0.0002  0.0037 -0.0001     -0.0003  0.0041  0.0001 -0.0003  0.0002
 -0.0004  0.0004 -0.0039  0.0004 -0.0062      0.0014  0.0002 -0.0001  0.0008 -0.0002
 -0.0001 -0.0002  0.0002  0.0063  0.0003     -0.0002 -0.0066  0.0001 -0.0001  0.0009
 
spin component  4
 
  0.5900 -0.0001 -0.0000 -0.0002 -0.0001      0.0000 -0.0001  0.0001  0.0000 -0.0043
 -0.0001  0.5526  0.0001  0.0000  0.0002      0.0001  0.0000  0.0000  0.0001 -0.0002
 -0.0000  0.0001  0.5916  0.0001  0.0000     -0.0001 -0.0000 -0.0000 -0.0001 -0.0001
 -0.0002  0.0000  0.0001  0.5529 -0.0001     -0.0000 -0.0001  0.0001  0.0000 -0.0000
 -0.0001  0.0002  0.0000 -0.0001  0.5595      0.0043  0.0002  0.0001  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5468  v =  0.0871 -0.1405  0.0001 -0.3110 -0.0131  0.0240  0.5395 -0.0114  0.0537 -0.3057      0.0000 -0.2069  0.0064  0.1274 -0.4140  0.0520  0.0028 -0.0015  0.4807  0.1531
  o =  0.5488  v = -0.0512 -0.2173 -0.0312 -0.3671  0.0146  0.0372 -0.3741  0.0031  0.0762 -0.4371      0.0000 -0.4046 -0.0117  0.2630  0.2379  0.0810  0.1576  0.0020 -0.2922  0.2638
  o =  0.5520  v =  0.0078  0.0527 -0.1276  0.0215 -0.0331 -0.0112  0.2365 -0.0056  0.7101  0.0605      0.0000  0.0610  0.0434 -0.0741 -0.0070 -0.0125  0.5910 -0.0042 -0.2069 -0.1090
  o =  0.5585  v = -0.0079 -0.2110 -0.0004 -0.6579  0.0258 -0.0022 -0.0575 -0.1572 -0.0171  0.0130      0.0000  0.6830 -0.0029 -0.1450  0.0504 -0.0130 -0.0179 -0.0399 -0.0311 -0.0183
  o =  0.5660  v =  0.0143 -0.0079 -0.0049  0.4519  0.0393  0.0124 -0.0630  0.0031  0.0332 -0.7581      0.0000  0.4381 -0.0122 -0.0580 -0.1040  0.0744 -0.0075 -0.0029 -0.0316  0.0349
  o =  0.5698  v = -0.1160  0.0412  0.0080  0.0428  0.0578 -0.0015  0.3444  0.0044  0.0326 -0.1075      0.0000  0.0341  0.0092 -0.0115  0.8535  0.0190 -0.0317 -0.0028  0.3383  0.0522
  o =  0.5905  v =  0.3628  0.0184  0.1370  0.0138 -0.0077  0.2905  0.0010 -0.0268  0.0081  0.1108      0.0000  0.0233 -0.1003 -0.0126  0.0524  0.8578  0.0146 -0.0180 -0.0204 -0.0343
  o =  0.5911  v =  0.9157  0.0042 -0.0960 -0.0022  0.0123 -0.1213 -0.0271 -0.0006 -0.0110 -0.0405      0.0000 -0.0103  0.0116  0.0139  0.1410 -0.3327 -0.0104 -0.0557 -0.0114  0.0209
  o =  0.5922  v =  0.0078  0.0259  0.7640  0.0574 -0.0085 -0.0042  0.0146 -0.5308  0.0684 -0.0228      0.0000 -0.0643 -0.2068  0.0243  0.0017 -0.1679  0.0823 -0.2048 -0.0234  0.0081
  o =  0.5927  v =  0.0755 -0.0899  0.4319 -0.0271  0.0015  0.0695 -0.0430  0.1971  0.0460 -0.0097      0.0000  0.0181  0.3593 -0.0927  0.0134 -0.0596  0.0416  0.7790  0.0297 -0.0041
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5922 -0.0002 -0.0002 -0.0002 -0.0003      0.0000 -0.0000  0.0000  0.0001  0.0058
 -0.0002  0.5727  0.0001 -0.0002  0.0001      0.0000  0.0000 -0.0000  0.0169 -0.0000
 -0.0002  0.0001  0.5934  0.0000 -0.0003     -0.0000  0.0000 -0.0000  0.0002  0.0001
 -0.0002 -0.0002  0.0000  0.5720 -0.0005     -0.0001 -0.0169 -0.0002 -0.0000 -0.0000
 -0.0003  0.0001 -0.0003 -0.0005  0.5797     -0.0058  0.0000 -0.0001  0.0000 -0.0000
 
spin component  2
 
  0.0004  0.0024 -0.0001  0.0001 -0.0000      0.0002 -0.0002 -0.0001 -0.0027  0.0001
 -0.0024  0.0005  0.0000  0.0000 -0.0004      0.0003 -0.0001 -0.0055  0.0001 -0.0132
  0.0001 -0.0002 -0.0005 -0.0053 -0.0003      0.0002  0.0052  0.0001  0.0001  0.0002
 -0.0002 -0.0000  0.0051  0.0001 -0.0135      0.0026  0.0002  0.0001  0.0001 -0.0003
 -0.0001  0.0001  0.0002  0.0137 -0.0005      0.0001  0.0138  0.0003  0.0002 -0.0003
 
spin component  3
 
  0.0004 -0.0024  0.0001 -0.0002 -0.0001     -0.0002 -0.0003 -0.0002 -0.0026 -0.0001
  0.0024  0.0005 -0.0002 -0.0000  0.0001      0.0002  0.0001 -0.0052 -0.0002 -0.0138
 -0.0001  0.0000 -0.0005  0.0051  0.0002      0.0001  0.0055 -0.0001 -0.0001 -0.0003
  0.0001  0.0000 -0.0053  0.0001  0.0137      0.0027 -0.0001 -0.0001 -0.0001 -0.0002
 -0.0000 -0.0004 -0.0003 -0.0135 -0.0005     -0.0001  0.0132 -0.0002  0.0003  0.0003
 
spin component  4
 
  0.5913  0.0002  0.0001  0.0003  0.0002     -0.0000  0.0000  0.0001 -0.0002 -0.0056
  0.0002  0.5615 -0.0001  0.0001  0.0000     -0.0000 -0.0000  0.0001 -0.0139  0.0003
  0.0001 -0.0001  0.5933 -0.0000  0.0003     -0.0001 -0.0001  0.0000 -0.0001  0.0000
  0.0003  0.0001 -0.0000  0.5622  0.0003      0.0002  0.0139  0.0001  0.0000 -0.0000
  0.0002  0.0000  0.0003  0.0003  0.5684      0.0056 -0.0003 -0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5391  v =  0.0136 -0.0708 -0.0005  0.0139  0.0617 -0.0035  0.6375  0.0003  0.0898 -0.0118      0.0000  0.0157  0.0080  0.0701  0.4123 -0.0028 -0.0866  0.0016  0.6229 -0.0745
  o =  0.5415  v = -0.0060 -0.5440 -0.0049 -0.1626  0.0208 -0.0072 -0.0708 -0.0050  0.0268  0.1552      0.0000 -0.1506  0.0009  0.5491 -0.0519  0.0014 -0.0226  0.0034 -0.0823 -0.5595
  o =  0.5730  v = -0.0020 -0.0114  0.3223 -0.0205 -0.0080  0.0152  0.2361 -0.0046 -0.6295  0.0064      0.0000  0.0082  0.1193  0.0056 -0.0306  0.0145 -0.6170  0.0018 -0.2161  0.0186
  o =  0.5788  v = -0.0737 -0.3321 -0.0002  0.0030 -0.0068  0.4657 -0.0290 -0.0292  0.0251  0.0467      0.0000  0.0387 -0.0038  0.3913  0.1035 -0.0408  0.0120  0.0089 -0.0339  0.7032
  o =  0.5831  v = -0.4400  0.4008 -0.0170 -0.1205 -0.0265 -0.0662 -0.1701 -0.1180 -0.0054 -0.0245      0.0000  0.0952  0.0362  0.2988  0.5502  0.0032 -0.0255  0.3726 -0.1811 -0.0879
  o =  0.5838  v = -0.4120 -0.3936  0.0121  0.1352 -0.0093 -0.0365 -0.1471  0.1247 -0.0098  0.0078      0.0000 -0.1147 -0.0089 -0.4183  0.4582  0.0031 -0.0187 -0.4443 -0.1449 -0.0358
  o =  0.5948  v = -0.1613  0.1625 -0.0130 -0.0830  0.0126  0.7506 -0.0062  0.0211 -0.0021 -0.1613      0.0000 -0.0798  0.1918 -0.1670 -0.1046 -0.3912  0.0032 -0.0120  0.0772 -0.3305
  o =  0.5961  v =  0.2415 -0.0761  0.4706  0.0308 -0.0325 -0.0279 -0.2466 -0.0354  0.1297  0.0656      0.0000  0.0309  0.7395 -0.0597  0.1562  0.1225  0.1111  0.0850  0.1337  0.0100
  o =  0.5976  v = -0.7240 -0.0426  0.1381 -0.0594  0.0110 -0.1641  0.1110  0.1473  0.0470  0.0617      0.0000  0.1187  0.1978  0.0337 -0.4996  0.1205  0.0566  0.0476  0.2308  0.0839
  o =  0.5991  v =  0.1499  0.0080 -0.1176 -0.4148  0.0076 -0.0055 -0.0487  0.7736 -0.0300 -0.0012      0.0000  0.4133  0.0509  0.0143  0.1075 -0.0382 -0.0237 -0.0427 -0.0266  0.0074
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5919 -0.0001 -0.0003  0.0001  0.0001     -0.0000 -0.0000 -0.0002  0.0000  0.0057
 -0.0001  0.5635 -0.0000 -0.0000 -0.0001      0.0000 -0.0000  0.0001  0.0153  0.0007
 -0.0003 -0.0000  0.5933 -0.0001 -0.0004      0.0002 -0.0001 -0.0000 -0.0000 -0.0001
  0.0001 -0.0000 -0.0001  0.5649 -0.0001     -0.0000 -0.0153  0.0000  0.0000  0.0004
  0.0001 -0.0001 -0.0004 -0.0001  0.5707     -0.0057 -0.0007  0.0001 -0.0004  0.0000
 
spin component  2
 
 -0.0002  0.0028  0.0000 -0.0001  0.0001      0.0002 -0.0001 -0.0000 -0.0025  0.0003
 -0.0025 -0.0024  0.0001  0.0002 -0.0005     -0.0002  0.0013 -0.0052 -0.0007 -0.0145
  0.0001 -0.0001 -0.0001 -0.0051  0.0001      0.0002  0.0049  0.0001 -0.0003 -0.0001
  0.0002 -0.0002  0.0055 -0.0020 -0.0145      0.0029 -0.0002 -0.0003  0.0011 -0.0004
  0.0001  0.0002  0.0003  0.0141 -0.0023      0.0003  0.0140 -0.0002  0.0001  0.0006
 
spin component  3
 
 -0.0002 -0.0025  0.0001  0.0002  0.0001     -0.0002  0.0002 -0.0002 -0.0029 -0.0003
  0.0028 -0.0024 -0.0001 -0.0002  0.0002      0.0001 -0.0013 -0.0049  0.0002 -0.0140
  0.0000  0.0001 -0.0001  0.0055  0.0003      0.0000  0.0052 -0.0001  0.0003  0.0002
 -0.0001  0.0002 -0.0051 -0.0020  0.0141      0.0025  0.0007  0.0003 -0.0011 -0.0001
  0.0001 -0.0005  0.0001 -0.0145 -0.0023     -0.0003  0.0145  0.0001  0.0004 -0.0006
 
spin component  4
 
  0.5919  0.0001  0.0002 -0.0001 -0.0002      0.0000  0.0001  0.0002 -0.0001 -0.0057
  0.0001  0.5719  0.0001  0.0000 -0.0001     -0.0001 -0.0000 -0.0000 -0.0172  0.0004
  0.0002  0.0001  0.5934  0.0001  0.0002     -0.0002  0.0000 -0.0000  0.0001  0.0000
 -0.0001  0.0000  0.0001  0.5701  0.0000      0.0001  0.0172 -0.0001 -0.0000  0.0002
 -0.0002 -0.0001  0.0002  0.0000  0.5785      0.0057 -0.0004 -0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5388  v =  0.0017  0.5767 -0.0045 -0.2733 -0.0255 -0.0145  0.0361 -0.0030 -0.0339  0.1926      0.0000 -0.2807  0.0019 -0.5573  0.0200  0.0054  0.0433 -0.0008 -0.0200  0.4002
  o =  0.5399  v = -0.0008  0.0090  0.0011  0.0087  0.4862  0.0011 -0.2683  0.0026  0.5218  0.0369      0.0000 -0.0396  0.0053 -0.0603 -0.2648 -0.0002 -0.5075 -0.0028 -0.2910  0.0164
  o =  0.5759  v = -0.1402 -0.6042 -0.0203 -0.1867 -0.0092  0.0572 -0.1436 -0.1170  0.0265  0.0207      0.0000  0.1903 -0.0194 -0.5443  0.2916 -0.0119  0.0204 -0.3285 -0.0631  0.1045
  o =  0.5804  v = -0.4438  0.1304 -0.0284  0.0374  0.0025  0.0771 -0.1636  0.0678  0.0410 -0.0879      0.0000 -0.0959  0.1329  0.2800  0.6147  0.0397  0.0452  0.1475 -0.4480  0.1670
  o =  0.5821  v =  0.0625 -0.0305  0.4295 -0.2342 -0.0183  0.0965  0.0231 -0.0697 -0.4114 -0.4507      0.0000 -0.0448 -0.0026  0.0445 -0.0110  0.3410 -0.4755  0.0040 -0.0092  0.1478
  o =  0.5843  v = -0.2218  0.1990  0.1964  0.0258  0.0190 -0.4858 -0.3729  0.0236 -0.1602  0.0710      0.0000  0.0152 -0.3203 -0.1507  0.2053 -0.0877 -0.1598  0.0272  0.1918 -0.4763
  o =  0.5954  v = -0.7177  0.1492 -0.0371  0.0460 -0.0061  0.3069  0.1893 -0.1982 -0.0366  0.0079      0.0000 -0.0344 -0.0820  0.0395 -0.3144  0.0388 -0.0414 -0.3818  0.1070 -0.1401
  o =  0.5967  v =  0.3053  0.1777 -0.0361  0.0752 -0.0110 -0.2459 -0.0939 -0.3062  0.0001 -0.0328      0.0000 -0.1003  0.0077  0.2938  0.1504 -0.0887 -0.0123 -0.7433 -0.0802  0.1342
  o =  0.5975  v =  0.3170  0.1991  0.2753  0.0428  0.0254  0.6401 -0.0830 -0.0912  0.1175  0.0069      0.0000 -0.0485 -0.1106 -0.1326  0.2253  0.0220  0.1456 -0.0746 -0.1128 -0.4690
  o =  0.5991  v =  0.1466  0.0542 -0.6931  0.0529 -0.0237  0.1430  0.0936  0.0232 -0.3479  0.1432      0.0000  0.0820 -0.2777 -0.0453  0.1138  0.1577 -0.3780  0.0124 -0.1894 -0.1341
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5865  0.0001  0.0002 -0.0000 -0.0000     -0.0000 -0.0001 -0.0002 -0.0001  0.0018
  0.0001  0.5435  0.0000  0.0000 -0.0001      0.0001  0.0000  0.0001 -0.0165 -0.0008
  0.0002  0.0000  0.5884 -0.0002  0.0003      0.0002 -0.0001  0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0002  0.5433  0.0001      0.0001  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0003  0.0001  0.5522     -0.0018  0.0008 -0.0001  0.0000  0.0000
 
spin component  2
 
  0.0001  0.0004  0.0000 -0.0001  0.0001      0.0003  0.0002  0.0001 -0.0005  0.0001
 -0.0008  0.0002  0.0002 -0.0000 -0.0004      0.0003 -0.0001 -0.0028 -0.0001  0.0287
 -0.0002  0.0000  0.0003 -0.0027 -0.0002     -0.0000  0.0029  0.0000  0.0000  0.0000
 -0.0001 -0.0003  0.0028 -0.0000  0.0288      0.0008 -0.0001 -0.0001 -0.0004 -0.0000
  0.0001  0.0002 -0.0004 -0.0286  0.0004      0.0003 -0.0285  0.0001  0.0002 -0.0003
 
spin component  3
 
  0.0001 -0.0008 -0.0002 -0.0001  0.0001     -0.0003 -0.0003  0.0000 -0.0008 -0.0003
  0.0004  0.0002  0.0000 -0.0003  0.0002     -0.0002  0.0001 -0.0029  0.0001  0.0285
  0.0000  0.0002  0.0003  0.0028 -0.0004     -0.0001  0.0028 -0.0000  0.0001 -0.0001
 -0.0001 -0.0000 -0.0027 -0.0000 -0.0286      0.0005  0.0001 -0.0000  0.0004 -0.0002
  0.0001 -0.0004 -0.0002  0.0288  0.0004     -0.0001 -0.0287 -0.0000  0.0000  0.0003
 
spin component  4
 
  0.5859 -0.0001 -0.0002 -0.0000 -0.0000      0.0000  0.0002  0.0000  0.0001 -0.0018
 -0.0001  0.5436  0.0001 -0.0002 -0.0001     -0.0002 -0.0000 -0.0002  0.0166 -0.0009
 -0.0002  0.0001  0.5882  0.0002 -0.0001     -0.0000  0.0002 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0002  0.0002  0.5438 -0.0002     -0.0001 -0.0166  0.0000 -0.0000 -0.0001
 -0.0000 -0.0001 -0.0001 -0.0002  0.5525      0.0018  0.0009  0.0001  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5144  v =  0.0253 -0.3188 -0.0010 -0.0727  0.0315  0.0164  0.3718  0.0003 -0.0123 -0.1127      0.0000 -0.0703  0.0070  0.2936 -0.5546  0.0052  0.0250 -0.0027  0.3374  0.4762
  o =  0.5165  v =  0.0169  0.3147  0.0015  0.0656  0.0345 -0.0177  0.2924 -0.0023 -0.0388  0.1315      0.0000  0.1055 -0.0039 -0.3778 -0.4884 -0.0022 -0.0001 -0.0039  0.3328 -0.5361
  o =  0.5265  v = -0.0041 -0.5509  0.0399 -0.0261 -0.0156  0.0013  0.0182  0.0030 -0.4411 -0.0319      0.0000 -0.0243  0.0036 -0.5312  0.0249 -0.0030 -0.4565 -0.0472 -0.0615  0.0155
  o =  0.5271  v =  0.0040 -0.4504 -0.0491 -0.0152 -0.0115 -0.0021 -0.0269 -0.0054  0.5450  0.0126      0.0000  0.0340 -0.0032 -0.4508  0.0151 -0.0015  0.5384 -0.0424  0.0104 -0.0006
  o =  0.5857  v =  0.3664 -0.0119  0.0089  0.0443 -0.0025 -0.2621 -0.0144  0.0034 -0.0024 -0.0261      0.0000  0.0420  0.0154  0.0018  0.0016  0.8876 -0.0029  0.0635 -0.0112 -0.0012
  o =  0.5866  v =  0.9114  0.0138 -0.0955 -0.0163 -0.0031  0.0952 -0.0343  0.1141 -0.0076  0.0046      0.0000 -0.0060  0.1146 -0.0055 -0.0017 -0.3446 -0.0058 -0.0620 -0.0255  0.0032
  o =  0.5883  v =  0.1607 -0.0151  0.4484  0.0284 -0.0146  0.0625  0.0079 -0.6752  0.0041 -0.0041      0.0000 -0.0313 -0.2585 -0.0285  0.0019 -0.0801  0.0322  0.4855 -0.0113  0.0077
  o =  0.5888  v = -0.0835 -0.0095 -0.1362  0.0055  0.0143  0.0173 -0.0382 -0.0433  0.0064 -0.0022      0.0000  0.0015  0.8282 -0.0396  0.0000 -0.0117 -0.0154  0.5299  0.0405  0.0143
  o =  0.5965  v =  0.0192  0.2511  0.0007 -0.3540  0.2628 -0.0342  0.1993 -0.0198  0.2061  0.4575      0.0000 -0.3546 -0.0078 -0.2515  0.2605  0.0417 -0.2046 -0.0176  0.2049  0.3261
  o =  0.5974  v =  0.0323 -0.2826  0.0224  0.0627  0.0251  0.0370  0.4358  0.0045  0.0213 -0.0785      0.0000  0.0562  0.0218  0.2778  0.5590 -0.0041 -0.0256 -0.0033  0.4366 -0.3628
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5859  0.0001 -0.0002  0.0001 -0.0002      0.0000  0.0000  0.0001  0.0000  0.0017
  0.0001  0.5434  0.0001  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0178  0.0003
 -0.0002  0.0001  0.5879 -0.0001  0.0000     -0.0001  0.0000 -0.0000  0.0002 -0.0001
  0.0001  0.0000 -0.0001  0.5438  0.0001     -0.0000  0.0178 -0.0002 -0.0000 -0.0001
 -0.0002  0.0000  0.0000  0.0001  0.5517     -0.0017 -0.0003  0.0001  0.0001 -0.0000
 
spin component  2
 
 -0.0004  0.0009  0.0000 -0.0000 -0.0005     -0.0002  0.0002 -0.0002 -0.0009 -0.0002
 -0.0007  0.0005 -0.0001 -0.0002 -0.0000      0.0000 -0.0001 -0.0028  0.0000  0.0289
 -0.0000  0.0001  0.0000 -0.0029  0.0001     -0.0002  0.0025 -0.0004 -0.0002 -0.0001
 -0.0001  0.0001  0.0027 -0.0001  0.0293      0.0011  0.0001  0.0000  0.0000 -0.0000
 -0.0001  0.0001 -0.0000 -0.0290  0.0001     -0.0002 -0.0291  0.0004  0.0002 -0.0000
 
spin component  3
 
 -0.0004 -0.0007 -0.0000 -0.0001 -0.0001      0.0002 -0.0000  0.0002 -0.0011  0.0002
  0.0009  0.0005  0.0001  0.0001  0.0001     -0.0002  0.0001 -0.0025 -0.0001  0.0291
  0.0000 -0.0001  0.0000  0.0027 -0.0000      0.0002  0.0028  0.0004 -0.0000 -0.0004
 -0.0000 -0.0002 -0.0029 -0.0001 -0.0290      0.0009 -0.0000  0.0002 -0.0000 -0.0002
 -0.0005 -0.0000  0.0001  0.0293  0.0001      0.0002 -0.0289  0.0001  0.0000  0.0000
 
spin component  4
 
  0.5862 -0.0001  0.0000  0.0001  0.0001     -0.0000 -0.0001 -0.0002  0.0000 -0.0019
 -0.0001  0.5437 -0.0000 -0.0003  0.0000      0.0001  0.0000  0.0001  0.0169  0.0002
  0.0000 -0.0000  0.5883  0.0001 -0.0002      0.0002 -0.0001  0.0000 -0.0002  0.0001
  0.0001 -0.0003  0.0001  0.5429 -0.0000     -0.0000 -0.0169  0.0002  0.0000  0.0000
  0.0001  0.0000 -0.0002 -0.0000  0.5526      0.0019 -0.0002 -0.0001 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5145  v =  0.0304 -0.0001 -0.0003 -0.0026  0.0361 -0.0007  0.4437 -0.0001 -0.0155 -0.0040      0.0000 -0.0020 -0.0008  0.0085 -0.7407 -0.0059  0.0312 -0.0001  0.5010  0.0054
  o =  0.5156  v = -0.0022 -0.4797  0.0031 -0.0401  0.0021  0.0318 -0.0018  0.0023  0.0028 -0.0891      0.0000 -0.0711  0.0016  0.4581  0.0072  0.0019  0.0079  0.0040 -0.0050  0.7378
  o =  0.5254  v =  0.0003 -0.6102  0.0100 -0.2207  0.0015 -0.0016  0.2786 -0.0194 -0.0796 -0.0193      0.0000  0.1965  0.0215 -0.6159 -0.0144 -0.0018 -0.0858 -0.0528 -0.2554 -0.0091
  o =  0.5263  v = -0.0041  0.2695  0.0113  0.0672  0.0047  0.0016  0.6495  0.0046 -0.1323 -0.0010      0.0000 -0.0608  0.0572  0.2755 -0.0288 -0.0003 -0.1291  0.0243 -0.6183  0.0010
  o =  0.5856  v =  0.8416  0.0097  0.0796 -0.0119  0.0110  0.4843 -0.0156  0.0230  0.0159  0.0044      0.0000 -0.0083 -0.0013 -0.0033  0.0123 -0.2159 -0.0105 -0.0442 -0.0204 -0.0108
  o =  0.5865  v = -0.5123  0.0168 -0.0562 -0.0118  0.0014  0.7469  0.0033  0.0412  0.0035 -0.0029      0.0000 -0.0040  0.1339 -0.0304 -0.0040 -0.3672 -0.0079  0.1421  0.0202 -0.0050
  o =  0.5879  v =  0.1524 -0.0441 -0.7669 -0.0128 -0.0172 -0.1212 -0.0197  0.2696 -0.0462  0.0022      0.0000  0.0092  0.2673 -0.0008 -0.0049 -0.0328 -0.0213  0.4720  0.0019 -0.0222
  o =  0.5888  v = -0.0663  0.0157 -0.3279 -0.0238  0.0047  0.0905  0.0305  0.5902 -0.0099 -0.0074      0.0000  0.0256 -0.4478  0.0328  0.0088  0.0071 -0.0196 -0.5715 -0.0105 -0.0103
  o =  0.5973  v = -0.0133  0.1486 -0.0014  0.0467  0.2870 -0.0050 -0.4476  0.0320  0.2274 -0.0576      0.0000  0.0450  0.0097 -0.1538 -0.5704  0.0174 -0.2225  0.0015 -0.4451  0.1941
  o =  0.5985  v =  0.0235  0.4438 -0.0258  0.2264 -0.1221 -0.0185  0.1284  0.0086 -0.0952 -0.2926      0.0000  0.2305 -0.0164 -0.4471  0.1602 -0.0203  0.0982  0.0161  0.1224  0.5655
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5922  0.0001  0.0000  0.0002 -0.0001     -0.0000 -0.0001  0.0000 -0.0003  0.0058
  0.0001  0.5746  0.0000 -0.0002  0.0005      0.0001  0.0000  0.0000  0.0183  0.0004
  0.0000  0.0000  0.5937 -0.0000 -0.0004     -0.0000 -0.0000  0.0000 -0.0003 -0.0001
  0.0002 -0.0002 -0.0000  0.5720  0.0002      0.0003 -0.0183  0.0003 -0.0000 -0.0002
 -0.0001  0.0005 -0.0004  0.0002  0.5808     -0.0058 -0.0004  0.0001  0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0025 -0.0000 -0.0003 -0.0001     -0.0003  0.0002  0.0001 -0.0026 -0.0001
 -0.0027  0.0000  0.0003  0.0002  0.0000      0.0001 -0.0003 -0.0052  0.0000 -0.0139
 -0.0003  0.0001 -0.0001 -0.0051 -0.0001     -0.0004  0.0055 -0.0000 -0.0002  0.0000
 -0.0001 -0.0001  0.0052 -0.0006 -0.0149      0.0025 -0.0002  0.0003  0.0001 -0.0005
 -0.0003  0.0002  0.0001  0.0145 -0.0000      0.0003  0.0150 -0.0004 -0.0002 -0.0001
 
spin component  3
 
  0.0001 -0.0027 -0.0003 -0.0001 -0.0003      0.0003 -0.0001  0.0004 -0.0025 -0.0003
  0.0025  0.0000  0.0001 -0.0001  0.0002     -0.0002  0.0003 -0.0055  0.0002 -0.0150
 -0.0000  0.0003 -0.0001  0.0052  0.0001     -0.0001  0.0052  0.0000 -0.0003  0.0004
 -0.0003  0.0002 -0.0051 -0.0006  0.0145      0.0026 -0.0000  0.0002 -0.0001  0.0002
 -0.0001  0.0000 -0.0001 -0.0149 -0.0000      0.0001  0.0139 -0.0000  0.0005  0.0001
 
spin component  4
 
  0.5916  0.0001 -0.0001 -0.0002  0.0001      0.0000  0.0001 -0.0000  0.0002 -0.0056
  0.0001  0.5615 -0.0000  0.0001 -0.0002     -0.0001 -0.0000  0.0000 -0.0154 -0.0000
 -0.0001 -0.0000  0.5934  0.0002  0.0004      0.0000 -0.0000 -0.0000  0.0002  0.0002
 -0.0002  0.0001  0.0002  0.5637 -0.0002     -0.0002  0.0154 -0.0002  0.0000  0.0000
  0.0001 -0.0002  0.0004 -0.0002  0.5687      0.0056  0.0000 -0.0002 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5376  v =  0.0165 -0.0524  0.0019 -0.0267 -0.0153 -0.0028  0.6500 -0.0019 -0.0103  0.0310      0.0000 -0.0241  0.0059  0.0529  0.4219  0.0036  0.0124 -0.0016  0.6237 -0.0442
  o =  0.5399  v = -0.0031 -0.0715  0.0011  0.5760 -0.0396  0.0002  0.0192  0.0036 -0.0540 -0.5788      0.0000  0.5523 -0.0071  0.0791  0.0095  0.0071  0.0642 -0.0046  0.0267 -0.0835
  o =  0.5750  v =  0.0364  0.0032 -0.0766  0.0044  0.0265 -0.0135  0.6554  0.0020  0.0941  0.0203      0.0000  0.0278  0.3539 -0.0250 -0.0717 -0.0149  0.1083  0.0023 -0.6386 -0.0387
  o =  0.5799  v = -0.0545  0.2312 -0.0140 -0.2706  0.0027 -0.3849 -0.0208 -0.0222  0.0350 -0.4289      0.0000 -0.1774 -0.0099 -0.3274  0.0421  0.3092  0.0320 -0.0108  0.0025 -0.5464
  o =  0.5843  v = -0.5729 -0.0535  0.0120  0.2497 -0.0264  0.0583 -0.1557  0.2794  0.0002  0.0055      0.0000 -0.2533  0.0702 -0.0348  0.6110  0.0116 -0.0103 -0.0194 -0.2360  0.0137
  o =  0.5851  v = -0.3148  0.0732  0.0016 -0.4083  0.0182 -0.0047 -0.0881 -0.5890 -0.0101  0.0566      0.0000  0.4912  0.0405  0.0941  0.2952 -0.0541  0.0098  0.1324 -0.1027  0.0231
  o =  0.5954  v = -0.0284  0.1253  0.1309  0.1359  0.0025  0.6855  0.0367 -0.0839  0.0235  0.2395      0.0000  0.0960 -0.0867 -0.1927 -0.0545  0.5025  0.0363  0.0434  0.0017 -0.3148
  o =  0.5965  v =  0.2374  0.0291  0.2784 -0.0292 -0.0164  0.1156 -0.2683  0.0133  0.0963 -0.0441      0.0000 -0.0065  0.8378 -0.0325  0.1208 -0.0731  0.0832  0.0075  0.1853 -0.0552
  o =  0.5984  v = -0.7123 -0.0184  0.0744  0.0164  0.0106 -0.0087  0.1237 -0.0135  0.0360 -0.0219      0.0000 -0.0477  0.2281 -0.0039 -0.5766 -0.0586  0.0332 -0.0187  0.2778  0.0144
  o =  0.6001  v =  0.0605 -0.1812 -0.0004  0.4017  0.0236 -0.0441  0.0039 -0.6901 -0.0187 -0.0621      0.0000 -0.4753  0.0085 -0.1383 -0.0005 -0.0515 -0.0023  0.2656 -0.0061  0.0274
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5921  0.0000 -0.0001 -0.0000  0.0001      0.0000 -0.0000  0.0002  0.0001  0.0055
  0.0000  0.5642 -0.0004  0.0001 -0.0001      0.0000  0.0000 -0.0001  0.0169  0.0007
 -0.0001 -0.0004  0.5932  0.0001  0.0004     -0.0002  0.0001 -0.0000  0.0001 -0.0002
 -0.0000  0.0001  0.0001  0.5656 -0.0004     -0.0001 -0.0169 -0.0001  0.0000  0.0004
  0.0001 -0.0001  0.0004 -0.0004  0.5712     -0.0055 -0.0007  0.0002 -0.0004  0.0000
 
spin component  2
 
 -0.0002  0.0023  0.0002  0.0000  0.0002      0.0005 -0.0002  0.0002 -0.0025 -0.0000
 -0.0028 -0.0027 -0.0001  0.0002  0.0002     -0.0000  0.0011 -0.0053 -0.0003 -0.0155
  0.0000 -0.0000 -0.0002 -0.0053  0.0002     -0.0001  0.0055 -0.0000 -0.0001  0.0002
 -0.0002  0.0004  0.0053 -0.0026 -0.0153      0.0024 -0.0003 -0.0001  0.0009  0.0002
 -0.0002  0.0002  0.0002  0.0158 -0.0023     -0.0001  0.0153  0.0000  0.0004  0.0010
 
spin component  3
 
 -0.0002 -0.0028  0.0000 -0.0002 -0.0002     -0.0005  0.0000  0.0001 -0.0024  0.0001
  0.0023 -0.0027 -0.0000  0.0004  0.0002      0.0002 -0.0011 -0.0055  0.0003 -0.0153
  0.0002 -0.0001 -0.0002  0.0053  0.0002     -0.0002  0.0053  0.0000  0.0001 -0.0000
  0.0000  0.0002 -0.0053 -0.0026  0.0158      0.0025  0.0003  0.0001 -0.0009 -0.0004
  0.0002  0.0002  0.0002 -0.0153 -0.0023      0.0000  0.0155 -0.0002 -0.0002 -0.0010
 
spin component  4
 
  0.5918 -0.0001 -0.0000 -0.0000 -0.0002     -0.0000  0.0001 -0.0002 -0.0001 -0.0056
 -0.0001  0.5728  0.0004 -0.0002 -0.0000     -0.0001 -0.0000  0.0002 -0.0188  0.0005
 -0.0000  0.0004  0.5939 -0.0000 -0.0003      0.0002 -0.0002  0.0000 -0.0001  0.0001
 -0.0000 -0.0002 -0.0000  0.5712  0.0005      0.0001  0.0188  0.0001 -0.0000  0.0001
 -0.0002 -0.0000 -0.0003  0.0005  0.5795      0.0056 -0.0005 -0.0001 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5365  v =  0.0020 -0.2228  0.0044 -0.5745 -0.0458  0.0023  0.0781  0.0055 -0.0916  0.4150      0.0000 -0.5844 -0.0064  0.2253  0.0625  0.0088  0.0268 -0.0004  0.0851 -0.1647
  o =  0.5385  v = -0.0020  0.0027  0.0047  0.0638 -0.5136  0.0021  0.2002 -0.0051 -0.5435 -0.0910      0.0000  0.1214  0.0011  0.0422  0.1943  0.0039  0.5383 -0.0019  0.2092 -0.0191
  o =  0.5776  v = -0.1438 -0.5440 -0.0201 -0.2868  0.0155  0.0321 -0.1151 -0.1957  0.0164  0.0228      0.0000  0.2887 -0.0131 -0.4927  0.3001  0.0002  0.0180 -0.3366 -0.0991  0.0862
  o =  0.5813  v =  0.4386 -0.0912 -0.1200 -0.0461 -0.0192 -0.1694  0.3140 -0.0727  0.1348  0.1228      0.0000  0.1314  0.0421 -0.2903 -0.5728 -0.0558  0.1161 -0.1743  0.2689 -0.2569
  o =  0.5841  v = -0.2046  0.0942 -0.3305  0.1377 -0.0049 -0.2038  0.2342  0.0680  0.2802  0.2436      0.0000  0.0109  0.3962 -0.0176  0.2132 -0.2643  0.2949  0.0174 -0.4134 -0.2267
  o =  0.5857  v =  0.2011 -0.2071 -0.0306 -0.0005  0.0138  0.5729  0.3549 -0.0142 -0.0039 -0.0142      0.0000 -0.0052  0.3733  0.1551 -0.1518  0.0475  0.0195 -0.0024 -0.2202  0.4726
  o =  0.5961  v =  0.7974 -0.0689  0.0007  0.0091 -0.0120 -0.2644 -0.1398  0.0754  0.0156  0.0527      0.0000  0.0268 -0.0747  0.0392  0.3948  0.0113  0.0126  0.1670 -0.2313  0.1251
  o =  0.5974  v =  0.1625  0.3020  0.0160 -0.0871  0.0363  0.1990  0.0464  0.0424  0.0130 -0.1967      0.0000 -0.0594 -0.2211  0.2100  0.1057 -0.2501  0.0262 -0.7560 -0.1713 -0.1379
  o =  0.5982  v =  0.1231  0.0541 -0.0579  0.0958  0.0632  0.5608  0.0632 -0.2398 -0.0674 -0.0380      0.0000 -0.1123 -0.2465 -0.3069  0.1252 -0.0460 -0.0017  0.3426 -0.1615 -0.5046
  o =  0.6001  v =  0.1652  0.1355 -0.0466  0.0222  0.0112  0.1907 -0.4920 -0.1027 -0.0349 -0.0261      0.0000 -0.0567  0.6750 -0.0380  0.1293 -0.0112 -0.0304 -0.1235  0.3627 -0.1892
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5851  0.0003  0.0000  0.0001 -0.0002     -0.0000 -0.0001 -0.0000  0.0001  0.0014
  0.0003  0.5420  0.0003 -0.0002  0.0000      0.0001 -0.0000  0.0001 -0.0212 -0.0008
  0.0000  0.0003  0.5864 -0.0001 -0.0000      0.0000 -0.0001 -0.0000 -0.0000  0.0002
  0.0001 -0.0002 -0.0001  0.5421 -0.0001     -0.0001  0.0212  0.0000 -0.0000 -0.0002
 -0.0002  0.0000 -0.0000 -0.0001  0.5504     -0.0014  0.0008 -0.0002  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0007 -0.0001  0.0001  0.0001      0.0001  0.0000 -0.0002 -0.0006  0.0000
 -0.0005 -0.0004  0.0003 -0.0002 -0.0005     -0.0001 -0.0001 -0.0024  0.0002  0.0326
 -0.0000 -0.0003  0.0003 -0.0024 -0.0000      0.0000  0.0028  0.0001 -0.0000 -0.0000
 -0.0004 -0.0001  0.0025 -0.0003  0.0327      0.0007 -0.0003  0.0001 -0.0002 -0.0004
 -0.0000  0.0007 -0.0004 -0.0327 -0.0005     -0.0002 -0.0327 -0.0003  0.0001  0.0001
 
spin component  3
 
  0.0000 -0.0005 -0.0000 -0.0004 -0.0000     -0.0001  0.0001 -0.0000 -0.0007  0.0002
  0.0007 -0.0004 -0.0003 -0.0001  0.0007     -0.0000  0.0001 -0.0028  0.0003  0.0327
 -0.0001  0.0003  0.0003  0.0025 -0.0004      0.0002  0.0024 -0.0001 -0.0001  0.0003
  0.0001 -0.0002 -0.0024 -0.0003 -0.0327      0.0006 -0.0002  0.0000  0.0002 -0.0001
  0.0001 -0.0005 -0.0000  0.0327 -0.0005     -0.0000 -0.0326  0.0000  0.0004 -0.0001
 
spin component  4
 
  0.5848 -0.0002 -0.0002 -0.0001  0.0000      0.0000  0.0000  0.0000 -0.0001 -0.0013
 -0.0002  0.5421 -0.0003 -0.0002 -0.0000     -0.0000  0.0000 -0.0002  0.0216 -0.0008
 -0.0002 -0.0003  0.5870 -0.0000  0.0000     -0.0000  0.0002  0.0000  0.0000 -0.0002
 -0.0001 -0.0002 -0.0000  0.5423  0.0001      0.0001 -0.0216 -0.0000 -0.0000  0.0001
  0.0000 -0.0000  0.0000  0.0001  0.5504      0.0013  0.0008  0.0002 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5100  v = -0.0104  0.3476 -0.0031 -0.2201  0.0488 -0.0155 -0.2617  0.0002 -0.0161 -0.3555      0.0000 -0.2097 -0.0037 -0.2959  0.4121  0.0099  0.0458  0.0033 -0.2480 -0.5175
  o =  0.5105  v =  0.0181  0.2014  0.0007 -0.1561 -0.0381 -0.0080  0.3733 -0.0001  0.0036 -0.2158      0.0000 -0.1070 -0.0041 -0.2352 -0.6295  0.0080 -0.0437  0.0011  0.3925 -0.3579
  o =  0.5203  v =  0.0041  0.0105 -0.0241 -0.3814  0.0304  0.0000 -0.4444 -0.0339  0.3498  0.0068      0.0000  0.3997 -0.0370  0.0443 -0.0030  0.0008  0.4036  0.0043  0.4536  0.0103
  o =  0.5208  v = -0.0037  0.5482  0.0260 -0.1768  0.0224 -0.0005 -0.1129 -0.0113 -0.3908  0.0144      0.0000  0.1924 -0.0074  0.5644 -0.0050 -0.0022 -0.3590  0.0423  0.1216  0.0104
  o =  0.5848  v = -0.3608  0.0069  0.1042 -0.0137  0.0012  0.2682  0.0076 -0.0048  0.0051 -0.0085      0.0000 -0.0139 -0.0153 -0.0028 -0.0019 -0.8828  0.0067 -0.0825  0.0080 -0.0038
  o =  0.5851  v =  0.9315 -0.0024  0.0255 -0.0061  0.0167  0.1014 -0.0152  0.0077  0.0106 -0.0008      0.0000 -0.0081  0.0191  0.0095  0.0058 -0.3443 -0.0118 -0.0321 -0.0163 -0.0092
  o =  0.5865  v = -0.0260  0.0238 -0.5535 -0.0197  0.0103 -0.0738 -0.0248  0.1417 -0.0089  0.0155      0.0000 -0.0025  0.7063  0.0053  0.0005 -0.0524 -0.0238 -0.4029  0.0301  0.0067
  o =  0.5874  v =  0.0121  0.0249 -0.0738  0.0185 -0.0007  0.0582  0.0130 -0.4111 -0.0042 -0.0022      0.0000 -0.0120 -0.4168  0.0391 -0.0061  0.0880 -0.0018 -0.7982 -0.0217 -0.0105
  o =  0.6030  v = -0.0239 -0.2889 -0.0225 -0.2915  0.2290  0.0098 -0.2776  0.0034  0.1937  0.3555      0.0000 -0.2922 -0.0157  0.2977 -0.3420  0.0081 -0.1824  0.0217 -0.2859 -0.3608
  o =  0.6044  v =  0.0165  0.0057 -0.0032 -0.3330 -0.4998 -0.0033  0.0811 -0.0018 -0.4027  0.4166      0.0000 -0.3394 -0.0056 -0.0019  0.0939 -0.0003  0.4092  0.0007  0.0721 -0.0014
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5848 -0.0000 -0.0001 -0.0001 -0.0002     -0.0000 -0.0002 -0.0000 -0.0001  0.0013
 -0.0000  0.5426 -0.0001 -0.0003  0.0001      0.0002 -0.0000  0.0001 -0.0219  0.0005
 -0.0001 -0.0001  0.5866 -0.0001 -0.0000      0.0000 -0.0001  0.0000 -0.0001 -0.0001
 -0.0001 -0.0003 -0.0001  0.5426  0.0001      0.0001  0.0219  0.0001 -0.0000  0.0000
 -0.0002  0.0001 -0.0000  0.0001  0.5503     -0.0013 -0.0005  0.0001 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0009 -0.0002 -0.0001 -0.0000      0.0001 -0.0001 -0.0000 -0.0006 -0.0000
 -0.0007  0.0005  0.0001  0.0002 -0.0005      0.0003  0.0000 -0.0023 -0.0001  0.0329
  0.0000  0.0002 -0.0001 -0.0024  0.0001      0.0002  0.0024  0.0003 -0.0002  0.0003
 -0.0002  0.0001  0.0024  0.0001  0.0326      0.0003 -0.0003 -0.0000  0.0001 -0.0007
  0.0001  0.0004 -0.0000 -0.0331  0.0002     -0.0002 -0.0326  0.0001  0.0001  0.0001
 
spin component  3
 
 -0.0001 -0.0007  0.0000 -0.0002  0.0001     -0.0001 -0.0003 -0.0002 -0.0003  0.0002
  0.0009  0.0005  0.0002  0.0001  0.0004      0.0001 -0.0000 -0.0024  0.0003  0.0326
 -0.0002  0.0001 -0.0001  0.0024 -0.0000      0.0000  0.0023 -0.0003  0.0000 -0.0001
 -0.0001  0.0002 -0.0024  0.0001 -0.0331      0.0006  0.0001  0.0002 -0.0001 -0.0001
 -0.0000 -0.0005  0.0001  0.0326  0.0002      0.0000 -0.0329 -0.0003  0.0007 -0.0001
 
spin component  4
 
  0.5850 -0.0000 -0.0001  0.0000  0.0002      0.0000  0.0001 -0.0000 -0.0001 -0.0015
 -0.0000  0.5418 -0.0000 -0.0001  0.0001     -0.0001 -0.0000 -0.0001  0.0210 -0.0000
 -0.0001 -0.0000  0.5869  0.0002  0.0001      0.0000  0.0001 -0.0000  0.0002  0.0000
  0.0000 -0.0001  0.0002  0.5416 -0.0001      0.0001 -0.0210 -0.0002  0.0000 -0.0001
  0.0002  0.0001  0.0001 -0.0001  0.5505      0.0015  0.0000 -0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5097  v = -0.0189  0.0792 -0.0012 -0.0064 -0.0911 -0.0047 -0.4630 -0.0018  0.0959 -0.0069      0.0000 -0.0021  0.0001 -0.0898  0.7327 -0.0002 -0.0190 -0.0010 -0.4431 -0.1404
  o =  0.5105  v =  0.0057  0.4342 -0.0017  0.0416  0.0363 -0.0239  0.0781 -0.0021 -0.0251  0.0706      0.0000  0.0480 -0.0017 -0.4678 -0.1362 -0.0014  0.0232  0.0000  0.0845 -0.7407
  o =  0.5204  v = -0.0051  0.3775  0.0257  0.3445  0.0172 -0.0019 -0.3684  0.0256 -0.3587 -0.0143      0.0000 -0.3568 -0.0258  0.3571  0.0149  0.0011 -0.3201  0.0233  0.3373 -0.0096
  o =  0.5207  v =  0.0056  0.4466 -0.0308  0.2227 -0.0163 -0.0041  0.2599  0.0152  0.4555  0.0034      0.0000 -0.2173  0.0167  0.4300 -0.0226  0.0010  0.4317  0.0337 -0.2325 -0.0086
  o =  0.5847  v =  0.8701 -0.0073  0.0835  0.0115  0.0021  0.2369 -0.0201 -0.0081  0.0042 -0.0013      0.0000  0.0115  0.0519  0.0009  0.0048  0.4089 -0.0037  0.0944 -0.0092 -0.0098
  o =  0.5851  v = -0.4805  0.0066  0.0198  0.0115 -0.0014  0.4493  0.0087 -0.0042  0.0005  0.0093      0.0000  0.0149  0.0889 -0.0026  0.0015  0.7471  0.0056 -0.0012  0.0134 -0.0096
  o =  0.5866  v =  0.0979  0.0216 -0.7858  0.0064 -0.0047  0.1140  0.0068 -0.0947 -0.0321 -0.0038      0.0000  0.0006 -0.2001  0.0208  0.0030  0.0377 -0.0231 -0.5540 -0.0088 -0.0016
  o =  0.5873  v =  0.0388  0.0241  0.3648 -0.0049 -0.0085 -0.0358 -0.0151  0.3589  0.0065 -0.0109      0.0000  0.0204  0.4346  0.0267 -0.0015 -0.0148  0.0238 -0.7371  0.0138 -0.0038
  o =  0.6031  v =  0.0152 -0.1400  0.0002 -0.0608 -0.3022  0.0025  0.4489  0.0076 -0.2499  0.0746      0.0000 -0.0568 -0.0022  0.1501  0.5516 -0.0073  0.2415  0.0098  0.4415 -0.1794
  o =  0.6046  v = -0.0156 -0.4520  0.0029  0.2479 -0.0735  0.0028 -0.1450 -0.0185 -0.0551 -0.2997      0.0000  0.2396 -0.0061  0.4488 -0.1803 -0.0134  0.0614  0.0049 -0.1442 -0.5461
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5897 -0.0001 -0.0002 -0.0002 -0.0000     -0.0000 -0.0001  0.0001 -0.0003  0.0039
 -0.0001  0.5528 -0.0003 -0.0003 -0.0005      0.0001 -0.0000 -0.0001 -0.0024 -0.0003
 -0.0002 -0.0003  0.5911  0.0001 -0.0004     -0.0001  0.0001  0.0000  0.0002  0.0001
 -0.0002 -0.0003  0.0001  0.5526  0.0002      0.0003  0.0024 -0.0002  0.0000  0.0004
 -0.0000 -0.0005 -0.0004  0.0002  0.5592     -0.0039  0.0003 -0.0001 -0.0004  0.0000
 
spin component  2
 
  0.0002  0.0017  0.0002 -0.0000  0.0004     -0.0003  0.0000  0.0002 -0.0017 -0.0001
 -0.0018  0.0010  0.0001  0.0004 -0.0001      0.0002  0.0003 -0.0036  0.0003  0.0083
 -0.0001 -0.0002 -0.0001 -0.0034  0.0001     -0.0001  0.0039  0.0000  0.0004  0.0000
  0.0001  0.0004  0.0036  0.0013  0.0087      0.0013  0.0003  0.0001  0.0006 -0.0006
 -0.0001  0.0003 -0.0003 -0.0086  0.0012     -0.0003 -0.0086  0.0000  0.0004  0.0005
 
spin component  3
 
  0.0002 -0.0018 -0.0001  0.0001 -0.0001      0.0003 -0.0002  0.0001 -0.0013  0.0003
  0.0017  0.0010 -0.0002  0.0004  0.0003     -0.0000 -0.0003 -0.0039 -0.0003  0.0086
  0.0002  0.0001 -0.0001  0.0036 -0.0003     -0.0002  0.0036 -0.0000 -0.0001 -0.0000
 -0.0000  0.0004 -0.0034  0.0013 -0.0086      0.0017 -0.0003 -0.0004 -0.0006 -0.0004
  0.0004 -0.0001  0.0001  0.0087  0.0012      0.0001 -0.0083 -0.0000  0.0006 -0.0005
 
spin component  4
 
  0.5900  0.0003  0.0000  0.0002  0.0000      0.0000 -0.0000 -0.0001  0.0002 -0.0038
  0.0003  0.5557  0.0002 -0.0003  0.0004      0.0000  0.0000  0.0000  0.0015 -0.0004
  0.0000  0.0002  0.5910 -0.0001  0.0003      0.0001 -0.0000 -0.0000 -0.0001 -0.0001
  0.0002 -0.0003 -0.0001  0.5557 -0.0003     -0.0002 -0.0015  0.0001  0.0000  0.0002
  0.0000  0.0004  0.0003 -0.0003  0.5625      0.0038  0.0004  0.0001 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5448  v = -0.0672  0.4443 -0.0026 -0.0762 -0.0037 -0.0572 -0.4044 -0.0108  0.0330  0.0039      0.0000  0.1022 -0.0020 -0.2724  0.5073 -0.0030  0.0246  0.0194 -0.3315 -0.4139
  o =  0.5459  v =  0.0595  0.3177  0.0006  0.1738  0.0339 -0.0721  0.2361  0.0239 -0.0268  0.0722      0.0000 -0.0668 -0.0176 -0.5290 -0.3974 -0.0101  0.0921 -0.0087  0.4205 -0.4107
  o =  0.5498  v =  0.0348  0.5697  0.0188 -0.3950 -0.0078 -0.0105  0.1564 -0.0735 -0.0656 -0.0199      0.0000  0.3970  0.0035  0.4917 -0.2079  0.0047 -0.1296  0.0952  0.1106 -0.0486
  o =  0.5537  v = -0.0151 -0.1058  0.0481 -0.1435  0.0015  0.0152 -0.6710 -0.0121 -0.2477 -0.0674      0.0000  0.0302 -0.1214 -0.0226  0.0094  0.0097 -0.2140 -0.0120  0.6175  0.0750
  o =  0.5702  v =  0.0636 -0.0067  0.0002 -0.1089 -0.1144  0.0039 -0.4550  0.0007 -0.0569  0.1576      0.0000 -0.0910 -0.0125 -0.0332 -0.6979  0.0052  0.0868 -0.0091 -0.4809 -0.0217
  o =  0.5715  v =  0.0317 -0.3619 -0.0174  0.2441  0.1106 -0.0735 -0.0670 -0.0035  0.0934 -0.4102      0.0000  0.2093 -0.0170  0.3329 -0.1195  0.0481 -0.0695  0.0027 -0.0263 -0.6573
  o =  0.5900  v =  0.8445  0.0051  0.0554 -0.0197 -0.0056 -0.2397 -0.0282  0.1118  0.0068 -0.0565      0.0000  0.0009  0.0140  0.0028  0.0898 -0.4351 -0.0018 -0.0969 -0.0133  0.0471
  o =  0.5906  v =  0.4732  0.0147  0.1666  0.0158  0.0103  0.4425  0.0209 -0.0229  0.0172  0.0837      0.0000  0.0121 -0.2321 -0.0100  0.0691  0.6925  0.0154 -0.0548 -0.0171 -0.0416
  o =  0.5916  v =  0.1904 -0.0562 -0.1968  0.0453  0.0023 -0.0205 -0.0413 -0.6595 -0.0145  0.0097      0.0000 -0.0695  0.3162 -0.0579  0.0185  0.0633 -0.0178  0.6073  0.0256  0.0095
  o =  0.5920  v =  0.1098  0.0085 -0.7984 -0.0380  0.0109  0.0005 -0.0358  0.3847 -0.0738  0.0444      0.0000  0.0304  0.3470  0.0064  0.0112  0.2382 -0.0755 -0.0822  0.0368 -0.0017
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5899 -0.0000 -0.0002 -0.0001 -0.0000      0.0000  0.0001  0.0000  0.0001  0.0040
 -0.0000  0.5535  0.0000 -0.0002  0.0005     -0.0001  0.0000 -0.0001 -0.0006  0.0006
 -0.0002  0.0000  0.5915  0.0002  0.0000     -0.0000  0.0001  0.0000 -0.0000 -0.0001
 -0.0001 -0.0002  0.0002  0.5534 -0.0001     -0.0001  0.0006  0.0000  0.0000 -0.0002
 -0.0000  0.0005  0.0000 -0.0001  0.5603     -0.0040 -0.0006  0.0001  0.0002  0.0000
 
spin component  2
 
  0.0001  0.0019 -0.0001 -0.0003  0.0001     -0.0001 -0.0001 -0.0001 -0.0017  0.0001
 -0.0018 -0.0010  0.0001 -0.0005 -0.0003      0.0002 -0.0006 -0.0037 -0.0001  0.0065
 -0.0000  0.0001 -0.0000 -0.0040  0.0000      0.0004  0.0041  0.0001  0.0001 -0.0001
 -0.0000 -0.0001  0.0041 -0.0005  0.0067      0.0019 -0.0000 -0.0001 -0.0005 -0.0007
 -0.0000  0.0003 -0.0001 -0.0065 -0.0015     -0.0003 -0.0068 -0.0002  0.0005 -0.0001
 
spin component  3
 
  0.0001 -0.0018 -0.0000 -0.0000 -0.0000      0.0001 -0.0002 -0.0004 -0.0019  0.0003
  0.0019 -0.0010  0.0001 -0.0001  0.0003      0.0001  0.0006 -0.0041  0.0000  0.0068
 -0.0001  0.0001 -0.0000  0.0041 -0.0001      0.0001  0.0037 -0.0001  0.0001  0.0002
 -0.0003 -0.0005 -0.0040 -0.0005 -0.0065      0.0017  0.0001 -0.0001  0.0005 -0.0005
  0.0001 -0.0003  0.0000  0.0067 -0.0015     -0.0001 -0.0065  0.0001  0.0007  0.0001
 
spin component  4
 
  0.5905 -0.0000 -0.0001 -0.0000  0.0001     -0.0000 -0.0002 -0.0001 -0.0001 -0.0040
 -0.0000  0.5566 -0.0001 -0.0001 -0.0005      0.0002 -0.0000  0.0001 -0.0006  0.0004
 -0.0001 -0.0001  0.5913 -0.0001  0.0001      0.0001 -0.0001 -0.0000  0.0000  0.0001
 -0.0000 -0.0001 -0.0001  0.5570  0.0001      0.0001  0.0006 -0.0000 -0.0000 -0.0001
  0.0001 -0.0005  0.0001  0.0001  0.5638      0.0040 -0.0004 -0.0001  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5467  v = -0.0737 -0.4785 -0.0058 -0.0741 -0.0017  0.0649 -0.4048  0.0118  0.0382 -0.1217      0.0000 -0.1998 -0.0068  0.3193  0.4381  0.0261  0.0522 -0.0173 -0.3037  0.3819
  o =  0.5489  v =  0.0728 -0.2689 -0.0073 -0.2259 -0.0096  0.0635  0.3316 -0.0179 -0.0039 -0.1335      0.0000 -0.0474 -0.0165  0.5160 -0.4204  0.0287  0.0505  0.0237  0.4443  0.3037
  o =  0.5522  v =  0.0321 -0.5079  0.0124  0.4444  0.0297  0.0108  0.1290  0.0978 -0.0847  0.0028      0.0000 -0.4814 -0.0014 -0.4650 -0.1632  0.0008 -0.0583 -0.0987  0.1409  0.0372
  o =  0.5567  v = -0.0082 -0.0274  0.1516 -0.0198  0.0082  0.0097  0.0814 -0.0168 -0.6531  0.0417      0.0000  0.0873  0.0262  0.1078 -0.0031 -0.0072 -0.7018  0.0066 -0.1566  0.0582
  o =  0.5676  v =  0.0596 -0.1414 -0.0081  0.0620  0.0089 -0.0211 -0.4114  0.0017  0.0439 -0.0897      0.0000  0.0380  0.0101  0.1481 -0.7098  0.0178  0.0149  0.0007 -0.4421 -0.2636
  o =  0.5696  v =  0.0248  0.3228 -0.0075 -0.1699 -0.0417  0.0800 -0.1426 -0.0092  0.0042  0.3460      0.0000 -0.1460  0.0110 -0.2901 -0.2894 -0.0473  0.0202  0.0076 -0.1361  0.7124
  o =  0.5903  v =  0.9513 -0.0229  0.1194 -0.0060  0.0018 -0.1006 -0.0255  0.0150  0.0121 -0.0211      0.0000  0.0059 -0.0203 -0.0174  0.1115 -0.1207  0.0072  0.1985 -0.0326  0.0169
  o =  0.5911  v = -0.1232  0.0012 -0.0103 -0.0205  0.0059 -0.4391  0.0175  0.0519 -0.0021 -0.1154      0.0000 -0.0158 -0.1572  0.0335 -0.0231 -0.8479  0.0022 -0.1626 -0.0149  0.0546
  o =  0.5923  v = -0.2234 -0.0993  0.0522 -0.0160  0.0035 -0.1433 -0.0108  0.1608  0.0076 -0.0212      0.0000  0.0181  0.2034 -0.0882 -0.0274 -0.0959  0.0040  0.9108  0.0283  0.0187
  o =  0.5924  v =  0.1179  0.0044 -0.8620 -0.0281 -0.0000  0.0741 -0.0457  0.2293 -0.1047 -0.0097      0.0000  0.0229  0.3857  0.0091  0.0213 -0.0949 -0.0910 -0.0460  0.0398 -0.0156
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5895  0.0002 -0.0001 -0.0001  0.0001     -0.0000  0.0002 -0.0003  0.0001  0.0038
  0.0002  0.5529 -0.0001  0.0001 -0.0001     -0.0002 -0.0000  0.0001 -0.0037 -0.0002
 -0.0001 -0.0001  0.5910  0.0000 -0.0000      0.0003 -0.0001 -0.0000  0.0000 -0.0002
 -0.0001  0.0001  0.0000  0.5531  0.0001     -0.0001  0.0037 -0.0000 -0.0000 -0.0000
  0.0001 -0.0001 -0.0000  0.0001  0.5598     -0.0038  0.0002  0.0002  0.0000 -0.0000
 
spin component  2
 
 -0.0000  0.0019  0.0000  0.0002  0.0002      0.0002  0.0001 -0.0002 -0.0017  0.0003
 -0.0016  0.0005  0.0002  0.0001 -0.0003      0.0001 -0.0001 -0.0038  0.0001  0.0110
 -0.0000 -0.0001 -0.0002 -0.0041 -0.0001      0.0003  0.0036 -0.0000  0.0001 -0.0000
  0.0003  0.0001  0.0034  0.0007  0.0107      0.0018  0.0000  0.0000  0.0000 -0.0003
  0.0002  0.0004  0.0002 -0.0103  0.0006     -0.0003 -0.0106  0.0003  0.0009  0.0002
 
spin component  3
 
 -0.0000 -0.0016 -0.0000  0.0003  0.0002     -0.0002 -0.0001 -0.0003 -0.0018  0.0003
  0.0019  0.0005 -0.0001  0.0001  0.0004     -0.0001  0.0001 -0.0036 -0.0000  0.0106
  0.0000  0.0002 -0.0002  0.0034  0.0002      0.0002  0.0038  0.0000 -0.0000 -0.0003
  0.0002  0.0001 -0.0041  0.0007 -0.0103      0.0017 -0.0001 -0.0001 -0.0000 -0.0009
  0.0002 -0.0003 -0.0001  0.0107  0.0006     -0.0003 -0.0110  0.0000  0.0003 -0.0002
 
spin component  4
 
  0.5896 -0.0002 -0.0000  0.0000 -0.0002     -0.0000 -0.0002  0.0002 -0.0001 -0.0039
 -0.0002  0.5533  0.0001 -0.0004  0.0001      0.0002 -0.0000 -0.0001  0.0038 -0.0001
 -0.0000  0.0001  0.5907 -0.0001  0.0000     -0.0002  0.0001  0.0000 -0.0000  0.0002
  0.0000 -0.0004 -0.0001  0.5531 -0.0001      0.0001 -0.0038  0.0000  0.0000  0.0002
 -0.0002  0.0001  0.0000 -0.0001  0.5599      0.0039  0.0001 -0.0002 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5423  v =  0.0772 -0.3260 -0.0014  0.0986  0.0256  0.0537  0.4651  0.0024 -0.0330  0.0797      0.0000  0.0209  0.0058  0.1787 -0.5785 -0.0113  0.0125 -0.0078  0.4109  0.3384
  o =  0.5431  v = -0.0516 -0.4261  0.0085  0.1942 -0.0012  0.0739 -0.2429  0.0058 -0.0307  0.1590      0.0000  0.0832  0.0003  0.4235  0.3372 -0.0250 -0.0244  0.0044 -0.3031  0.5424
  o =  0.5484  v =  0.0100  0.4137  0.0606  0.4071 -0.0470 -0.0077 -0.2308  0.0715 -0.3413  0.0071      0.0000 -0.3581 -0.0415  0.3617 -0.0521 -0.0013 -0.3743  0.0717  0.2711 -0.0064
  o =  0.5490  v =  0.0014  0.3549 -0.0791 -0.1100  0.0054  0.0079 -0.2477 -0.0285  0.4628  0.0612      0.0000  0.2010 -0.0511  0.4464 -0.0280 -0.0093  0.4749  0.0734  0.3144  0.0501
  o =  0.5731  v = -0.0199  0.4619  0.0144  0.0798  0.1164  0.0590 -0.0024 -0.0044  0.0940 -0.1524      0.0000  0.1069 -0.0031 -0.4594 -0.0042  0.0318 -0.0759 -0.0137 -0.0153  0.7078
  o =  0.5737  v =  0.0737 -0.0087 -0.0138  0.0736 -0.1398 -0.0028 -0.4667  0.0009 -0.0692 -0.1214      0.0000  0.0834 -0.0045 -0.0119 -0.7060  0.0267  0.1069 -0.0133 -0.4623 -0.0201
  o =  0.5899  v = -0.8574  0.0058 -0.0013  0.0041 -0.0119 -0.1855  0.0246 -0.0656 -0.0115 -0.0501      0.0000 -0.0154 -0.1810  0.0194 -0.1033 -0.3847  0.0103 -0.1745 -0.0004  0.0080
  o =  0.5902  v =  0.4203 -0.0062  0.1542 -0.0094  0.0035 -0.3865 -0.0148 -0.1017  0.0138 -0.0830      0.0000 -0.0270  0.0351 -0.0133  0.0357 -0.7862  0.0177  0.0832 -0.0089  0.0595
  o =  0.5914  v =  0.2479  0.0702  0.0067  0.0239 -0.0007 -0.0219  0.0398 -0.2132  0.0027  0.0120      0.0000 -0.0133 -0.4015  0.0847  0.0358  0.0628 -0.0053 -0.8429 -0.0305 -0.0038
  o =  0.5918  v =  0.1102 -0.0139 -0.6012 -0.0342 -0.0036  0.0904  0.0545  0.3510 -0.0511 -0.0295      0.0000  0.0309 -0.6362 -0.0296  0.0189 -0.1517 -0.0527  0.2276 -0.0521  0.0019
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5902 -0.0000  0.0000 -0.0001  0.0001      0.0000  0.0003 -0.0001 -0.0001  0.0041
 -0.0000  0.5561  0.0003 -0.0001  0.0006     -0.0003  0.0000 -0.0000 -0.0009 -0.0000
  0.0000  0.0003  0.5911 -0.0001  0.0001      0.0001  0.0000  0.0000 -0.0001 -0.0002
 -0.0001 -0.0001 -0.0001  0.5560 -0.0001      0.0001  0.0009  0.0001  0.0000 -0.0003
  0.0001  0.0006  0.0001 -0.0001  0.5629     -0.0041  0.0000  0.0002  0.0003 -0.0000
 
spin component  2
 
  0.0000  0.0017  0.0002  0.0005 -0.0002      0.0000 -0.0001 -0.0001 -0.0018  0.0001
 -0.0015  0.0003  0.0001 -0.0003 -0.0004     -0.0004 -0.0007 -0.0044  0.0001  0.0091
 -0.0003  0.0001 -0.0002 -0.0037 -0.0001     -0.0001  0.0035 -0.0001  0.0003  0.0001
  0.0003 -0.0002  0.0036  0.0004  0.0087      0.0012 -0.0002  0.0000 -0.0005 -0.0005
 -0.0002  0.0006 -0.0000 -0.0087  0.0003     -0.0003 -0.0084 -0.0001  0.0004  0.0001
 
spin component  3
 
  0.0000 -0.0015 -0.0003  0.0003 -0.0002     -0.0000  0.0004  0.0001 -0.0012  0.0003
  0.0017  0.0003  0.0001 -0.0002  0.0006      0.0001  0.0007 -0.0035  0.0002  0.0084
  0.0002  0.0001 -0.0002  0.0036 -0.0000      0.0001  0.0044  0.0001 -0.0000  0.0001
  0.0005 -0.0003 -0.0037  0.0004 -0.0087      0.0018 -0.0001 -0.0003  0.0005 -0.0004
 -0.0002 -0.0004 -0.0001  0.0087  0.0003     -0.0001 -0.0091 -0.0001  0.0005 -0.0001
 
spin component  4
 
  0.5893  0.0001 -0.0002  0.0001  0.0000      0.0000 -0.0003  0.0002  0.0002 -0.0039
  0.0001  0.5522 -0.0003 -0.0004 -0.0005      0.0003 -0.0000 -0.0001  0.0030 -0.0000
 -0.0002 -0.0003  0.5909  0.0001 -0.0001     -0.0002  0.0001 -0.0000  0.0000  0.0002
  0.0001 -0.0004  0.0001  0.5520 -0.0000     -0.0002 -0.0030 -0.0000 -0.0000 -0.0001
  0.0000 -0.0005 -0.0001 -0.0000  0.5585      0.0039  0.0000 -0.0002  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5445  v =  0.0537 -0.0180  0.0065  0.3794 -0.0380 -0.0084  0.4587  0.0049 -0.0014  0.5327      0.0000  0.4177  0.0267 -0.0544 -0.3525 -0.0819 -0.0752 -0.0031  0.2039 -0.0272
  o =  0.5458  v =  0.0700  0.0074 -0.0031 -0.3556  0.0106 -0.0030  0.3529 -0.0089 -0.0137 -0.3949      0.0000 -0.2327 -0.0066 -0.0384 -0.4784  0.0540  0.0121 -0.0079  0.5473 -0.0220
  o =  0.5484  v =  0.0112 -0.0916  0.1150 -0.0428 -0.0030  0.0179  0.2763  0.0087 -0.6033 -0.1009      0.0000 -0.0942  0.0580  0.0958 -0.0189  0.0113 -0.6175 -0.0032 -0.3246  0.1303
  o =  0.5545  v = -0.0203 -0.3286  0.0028 -0.6301  0.0213  0.0146 -0.0321 -0.1214 -0.0067  0.0105      0.0000  0.6359 -0.0025 -0.2459  0.0534  0.0053 -0.0129 -0.0634 -0.0778  0.0046
  o =  0.5698  v =  0.0156 -0.2586  0.0068 -0.3902 -0.0295 -0.0277  0.0167  0.0012 -0.0259  0.5815      0.0000 -0.4044  0.0111  0.3052  0.0252 -0.0496  0.0146  0.0099  0.0160 -0.4235
  o =  0.5720  v = -0.1145  0.0330  0.0140 -0.0076  0.0042 -0.0056  0.4337 -0.0014 -0.0239 -0.0044      0.0000  0.0078  0.0145 -0.0126  0.7867 -0.0009 -0.0231  0.0099  0.4184  0.0415
  o =  0.5898  v =  0.0848  0.0067 -0.0743  0.0111 -0.0074  0.4634  0.0110  0.1622 -0.0109  0.0916      0.0000  0.0349 -0.0560 -0.0072  0.0137  0.8500 -0.0060  0.0872  0.0009 -0.0515
  o =  0.5908  v =  0.9534  0.0127  0.0249 -0.0251  0.0027 -0.0835 -0.0102  0.1995  0.0075 -0.0162      0.0000  0.0325  0.0453  0.0077  0.1407 -0.0702  0.0117 -0.1174  0.0034  0.0238
  o =  0.5916  v = -0.2069  0.0328  0.5726 -0.0743 -0.0067 -0.0815 -0.0008  0.7301  0.0447  0.0040      0.0000  0.0655 -0.0388  0.0323 -0.0317  0.0003  0.0663 -0.2617 -0.0058  0.0145
  o =  0.5921  v = -0.1391  0.0233 -0.7271 -0.0359  0.0047 -0.1727 -0.0354  0.3978 -0.0601  0.0054      0.0000  0.0387  0.3356  0.0482 -0.0111  0.0270 -0.0724 -0.3653  0.0292  0.0167
     EDDAV:  cpu time   74.5989: real time   75.3681
       DOS:  cpu time    0.0460: real time    0.0462
    CHARGE:  cpu time    1.1537: real time    1.1647
    MIXING:  cpu time    0.0297: real time    0.0299
    --------------------------------------------
      LOOP:  cpu time   76.7620: real time   77.5502

 eigenvalue-minimisations  : 13408
 total energy-change (2. order) : 0.1832924E+02  (-0.6153602E+02)
 number of electron    1039.9999668 magnetization       0.0098223     -0.0014643     -0.0041378
 augmentation part       28.3244191 magnetization      -0.0734796     -0.0177786      0.0599460

 Broyden mixing:
  rms(total) = 0.99669E+01    rms(broyden)= 0.99667E+01
  rms(prec ) = 0.10563E+02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7837
  1.1970  0.3704

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17347.19302262
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2455.11928775
  PAW double counting   =     74745.41869142   -73518.33585871
  entropy T*S    EENTRO =         0.19810248
  eigenvalues    EBANDS =     -6227.18419570
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1099.45151507 eV

  energy without entropy =    -1099.64961755  energy(sigma->0) =    -1099.51754923


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.4724: real time    0.4777
    SETDIJ:  cpu time    0.4400: real time    0.4424
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5946  0.0002 -0.0001  0.0002 -0.0001      0.0000 -0.0000  0.0001 -0.0000  0.0045
  0.0002  0.5238  0.0001 -0.0001  0.0002      0.0000 -0.0000  0.0001 -0.0033 -0.0003
 -0.0001  0.0001  0.5953 -0.0001 -0.0000     -0.0001 -0.0001 -0.0000  0.0000 -0.0001
  0.0002 -0.0001 -0.0001  0.5237 -0.0000      0.0000  0.0033 -0.0000  0.0000  0.0002
 -0.0001  0.0002 -0.0000 -0.0000  0.5285     -0.0045  0.0003  0.0001 -0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0021 -0.0004 -0.0001  0.0003      0.0002 -0.0001 -0.0003 -0.0021  0.0001
 -0.0022  0.0002 -0.0000  0.0001 -0.0002      0.0000  0.0001 -0.0041  0.0001  0.0069
  0.0001  0.0001  0.0003 -0.0043 -0.0001     -0.0002  0.0043 -0.0004 -0.0001 -0.0000
 -0.0001 -0.0000  0.0041  0.0005  0.0068      0.0022  0.0002 -0.0001  0.0002 -0.0001
  0.0002  0.0000 -0.0001 -0.0070  0.0002      0.0001 -0.0070 -0.0000  0.0002 -0.0000
 
spin component  3
 
  0.0001 -0.0022  0.0001 -0.0001  0.0002     -0.0002 -0.0000  0.0002 -0.0022 -0.0001
  0.0021  0.0002  0.0001 -0.0000  0.0000      0.0001 -0.0001 -0.0043 -0.0002  0.0070
 -0.0004 -0.0000  0.0003  0.0041 -0.0001      0.0003  0.0041  0.0004  0.0001  0.0000
 -0.0001  0.0001 -0.0043  0.0005 -0.0070      0.0021 -0.0001  0.0001 -0.0002 -0.0002
  0.0003 -0.0002 -0.0001  0.0068  0.0002     -0.0001 -0.0069  0.0000  0.0001  0.0000
 
spin component  4
 
  0.5944 -0.0001 -0.0000 -0.0001  0.0001     -0.0000  0.0001  0.0001 -0.0000 -0.0046
 -0.0001  0.5246 -0.0003  0.0000 -0.0003     -0.0001  0.0000 -0.0001  0.0024 -0.0004
 -0.0000 -0.0003  0.5968 -0.0000 -0.0000     -0.0001  0.0001  0.0000 -0.0000  0.0000
 -0.0001  0.0000 -0.0000  0.5245  0.0001      0.0000 -0.0024  0.0000 -0.0000  0.0003
  0.0001 -0.0003 -0.0000  0.0001  0.5285      0.0046  0.0004 -0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5171  v = -0.0425  0.2652 -0.0092 -0.3636 -0.0235 -0.0280 -0.3397 -0.0046  0.1012 -0.4448      0.0000 -0.3107 -0.0024 -0.1304  0.4284  0.0423  0.0493  0.0082 -0.3040 -0.2775
  o =  0.5178  v = -0.0545 -0.0580  0.0062  0.2950  0.0056  0.0180 -0.3850 -0.0009 -0.0567  0.3850      0.0000  0.3006  0.0009  0.2276  0.5165 -0.0429 -0.0279  0.0091 -0.4026  0.1813
  o =  0.5200  v = -0.0102 -0.6466  0.0009  0.2625 -0.0223  0.0007 -0.0890  0.0300  0.0261 -0.0051      0.0000 -0.2831 -0.0005 -0.6337  0.1048  0.0003 -0.0167 -0.0723 -0.0669  0.0125
  o =  0.5217  v =  0.0024 -0.0187 -0.0760  0.0652  0.0034  0.0044 -0.1408  0.0005  0.6807  0.0714      0.0000  0.0479 -0.0166  0.0344 -0.0085 -0.0071  0.6812  0.0035  0.1761  0.0487
  o =  0.5371  v = -0.0171  0.1569  0.0008 -0.2724 -0.0498  0.0075  0.3658  0.0005 -0.0438  0.3961      0.0000 -0.2646  0.0017 -0.1509  0.5616 -0.0146  0.0293  0.0032  0.3653  0.2512
  o =  0.5380  v =  0.0119  0.1921 -0.0007 -0.3192  0.0407  0.0071 -0.3197 -0.0020  0.0213  0.4836      0.0000 -0.3213 -0.0007 -0.1829 -0.4627 -0.0153 -0.0179  0.0009 -0.3050  0.2800
  o =  0.5945  v = -0.3503  0.0154  0.3254 -0.0151  0.0036  0.5982  0.0115 -0.0394  0.0173 -0.0413      0.0000 -0.0187 -0.0320 -0.0120 -0.0247 -0.6357  0.0200 -0.0346  0.0085 -0.0392
  o =  0.5950  v =  0.8968  0.0133  0.3264  0.0024 -0.0015  0.1706 -0.0175 -0.0816  0.0168 -0.0069      0.0000 -0.0095 -0.0976  0.0033  0.0559 -0.1500  0.0188 -0.1272 -0.0283 -0.0118
  o =  0.5959  v =  0.2466 -0.0007 -0.7972 -0.0188  0.0013  0.2336 -0.0215  0.1941 -0.0451 -0.0212      0.0000  0.0030  0.2650 -0.0115  0.0144 -0.3553 -0.0448  0.0945  0.0077 -0.0165
  o =  0.5974  v = -0.0829  0.0529 -0.2184  0.0064 -0.0001  0.0141  0.0110 -0.1395 -0.0116  0.0022      0.0000 -0.0087 -0.1318  0.0536 -0.0035  0.0140 -0.0087 -0.9498 -0.0045 -0.0004
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5939 -0.0001  0.0001 -0.0001 -0.0000     -0.0000 -0.0001  0.0001  0.0000  0.0046
 -0.0001  0.5230 -0.0001  0.0000 -0.0001      0.0001  0.0000  0.0000 -0.0044  0.0004
  0.0001 -0.0001  0.5950 -0.0001  0.0000     -0.0001 -0.0000 -0.0000  0.0001 -0.0000
 -0.0001  0.0000 -0.0001  0.5230  0.0000     -0.0000  0.0044 -0.0001 -0.0000 -0.0001
 -0.0000 -0.0001  0.0000  0.0000  0.5271     -0.0046 -0.0004  0.0000  0.0001  0.0000
 
spin component  2
 
  0.0002  0.0022  0.0004  0.0002  0.0001     -0.0001 -0.0001  0.0003 -0.0020 -0.0000
 -0.0021 -0.0001 -0.0000  0.0001 -0.0004     -0.0000 -0.0003 -0.0042 -0.0000  0.0082
 -0.0001 -0.0002 -0.0006 -0.0042 -0.0000     -0.0000  0.0044  0.0006 -0.0000  0.0000
 -0.0000 -0.0000  0.0043 -0.0001  0.0079      0.0022  0.0001 -0.0001 -0.0000 -0.0002
 -0.0001  0.0003  0.0000 -0.0082 -0.0000      0.0000 -0.0082 -0.0000  0.0003 -0.0002
 
spin component  3
 
  0.0002 -0.0021 -0.0001 -0.0000 -0.0001      0.0001  0.0000  0.0000 -0.0022 -0.0000
  0.0022 -0.0001 -0.0002 -0.0000  0.0003      0.0001  0.0003 -0.0044 -0.0001  0.0082
  0.0004 -0.0000 -0.0006  0.0043  0.0000     -0.0003  0.0042 -0.0006  0.0001  0.0000
  0.0002  0.0001 -0.0042 -0.0001 -0.0082      0.0020  0.0000  0.0000  0.0000 -0.0003
  0.0001 -0.0004 -0.0000  0.0079 -0.0000      0.0000 -0.0082 -0.0000  0.0002  0.0002
 
spin component  4
 
  0.5943  0.0001 -0.0002  0.0002  0.0000     -0.0000  0.0000  0.0003  0.0001 -0.0047
  0.0001  0.5236  0.0001 -0.0001  0.0001     -0.0000 -0.0000  0.0000  0.0035  0.0004
 -0.0002  0.0001  0.5961  0.0001 -0.0001     -0.0003 -0.0000  0.0000 -0.0001 -0.0000
  0.0002 -0.0001  0.0001  0.5234  0.0001     -0.0001 -0.0035  0.0001  0.0000 -0.0001
  0.0000  0.0001 -0.0001  0.0001  0.5274      0.0047 -0.0004  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5148  v = -0.0526 -0.3374 -0.0055  0.2221 -0.0114  0.0358 -0.4134  0.0069  0.0468  0.2239      0.0000  0.0789 -0.0016  0.1776  0.5494 -0.0205  0.0480 -0.0085 -0.3617  0.3689
  o =  0.5157  v =  0.0427 -0.3055 -0.0010  0.2528 -0.0189  0.0430  0.2912  0.0024  0.0064  0.3141      0.0000  0.1959 -0.0009  0.3404 -0.4332 -0.0311 -0.0150  0.0007  0.3201  0.4579
  o =  0.5182  v =  0.0081 -0.5475 -0.0080  0.3243  0.0055 -0.0034  0.0208  0.0408  0.0578 -0.0583      0.0000 -0.4314 -0.0068 -0.6076 -0.0881  0.0096  0.0789 -0.0653  0.1052 -0.0361
  o =  0.5196  v =  0.0037  0.0876 -0.0699 -0.0630  0.0106 -0.0028 -0.3052 -0.0050  0.6054 -0.0163      0.0000  0.0293 -0.0372  0.0635 -0.0155  0.0004  0.6163  0.0062  0.3695 -0.0225
  o =  0.5383  v =  0.0181  0.1892 -0.0014 -0.0766  0.0244  0.0091 -0.4627 -0.0001  0.0238  0.1027      0.0000 -0.0593 -0.0003 -0.1924 -0.6467 -0.0014  0.0017  0.0014 -0.4520  0.2628
  o =  0.5390  v =  0.0064 -0.4206 -0.0006  0.1968 -0.0124 -0.0181 -0.2105 -0.0009 -0.0037 -0.2650      0.0000  0.1838  0.0005  0.4148 -0.2811  0.0085  0.0095 -0.0014 -0.1955 -0.5883
  o =  0.5942  v = -0.7146  0.0107  0.1078  0.0045  0.0002  0.3589  0.0306  0.1551  0.0078  0.0340      0.0000  0.0222 -0.2284 -0.0055 -0.0437  0.5169  0.0064 -0.0115  0.0064 -0.0223
  o =  0.5944  v = -0.6652 -0.0101 -0.0444  0.0033  0.0004 -0.2327 -0.0105 -0.2464 -0.0030 -0.0295      0.0000 -0.0259  0.4511 -0.0020 -0.0418 -0.4730 -0.0030  0.0881  0.0423  0.0154
  o =  0.5955  v =  0.2006 -0.0079  0.1478  0.0128  0.0008  0.4923 -0.0430 -0.1274  0.0085  0.0159      0.0000 -0.0039  0.6960 -0.0297  0.0125  0.2586  0.0086  0.3495  0.0369 -0.0315
  o =  0.5971  v = -0.0389 -0.0314 -0.4623 -0.0391 -0.0003 -0.0754 -0.0016  0.7104 -0.0247 -0.0055      0.0000  0.0375  0.0663 -0.0265 -0.0020 -0.0773 -0.0255  0.5081  0.0041  0.0039
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5953 -0.0000 -0.0002  0.0000  0.0001     -0.0000 -0.0001  0.0002 -0.0000  0.0046
 -0.0000  0.5236  0.0001 -0.0000  0.0003      0.0001 -0.0000 -0.0001 -0.0030 -0.0002
 -0.0002  0.0001  0.5964 -0.0000  0.0001     -0.0002  0.0001  0.0000  0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.5237  0.0000      0.0000  0.0030 -0.0000  0.0000  0.0001
  0.0001  0.0003  0.0001  0.0000  0.5280     -0.0046  0.0002  0.0001 -0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0022  0.0004  0.0000  0.0001      0.0003 -0.0001  0.0001 -0.0021  0.0001
 -0.0020  0.0001 -0.0000  0.0001 -0.0004     -0.0000 -0.0001 -0.0043  0.0002  0.0076
 -0.0004 -0.0000 -0.0004 -0.0044  0.0000      0.0003  0.0045 -0.0001 -0.0000  0.0001
  0.0001 -0.0000  0.0043  0.0002  0.0075      0.0022  0.0002  0.0000 -0.0001 -0.0002
  0.0001  0.0003  0.0000 -0.0073  0.0002     -0.0000 -0.0075 -0.0000  0.0003 -0.0001
 
spin component  3
 
 -0.0000 -0.0020 -0.0004  0.0001  0.0001     -0.0003  0.0000 -0.0003 -0.0022  0.0000
  0.0022  0.0001 -0.0000 -0.0000  0.0003      0.0001  0.0001 -0.0045 -0.0002  0.0075
  0.0004 -0.0000 -0.0004  0.0043  0.0000     -0.0001  0.0043  0.0001 -0.0000  0.0000
  0.0000  0.0001 -0.0044  0.0002 -0.0073      0.0021 -0.0002  0.0000  0.0001 -0.0003
  0.0001 -0.0004  0.0000  0.0075  0.0002     -0.0001 -0.0076 -0.0001  0.0002  0.0001
 
spin component  4
 
  0.5935 -0.0000 -0.0000 -0.0001 -0.0001      0.0000 -0.0000 -0.0001 -0.0000 -0.0045
 -0.0000  0.5240 -0.0002 -0.0001 -0.0004      0.0000 -0.0000 -0.0000  0.0032 -0.0002
 -0.0000 -0.0002  0.5952 -0.0000 -0.0001      0.0001  0.0000 -0.0000  0.0000  0.0001
 -0.0001 -0.0001 -0.0000  0.5235 -0.0001      0.0000 -0.0032 -0.0000 -0.0000  0.0001
 -0.0001 -0.0004 -0.0001 -0.0001  0.5278      0.0045  0.0002 -0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5161  v =  0.0412 -0.2402  0.0027  0.3166 -0.0002  0.0266  0.3351 -0.0026 -0.0381  0.4713      0.0000  0.3787  0.0020  0.1234 -0.4320 -0.0450 -0.0285 -0.0059  0.3006  0.2553
  o =  0.5166  v =  0.0534  0.1570  0.0035 -0.3174  0.0021 -0.0191  0.3464 -0.0019 -0.0270 -0.3878      0.0000 -0.2552 -0.0045 -0.1335 -0.5331  0.0396 -0.0381  0.0015  0.4426 -0.1851
  o =  0.5199  v = -0.0054 -0.1867  0.0525 -0.4860 -0.0256  0.0034  0.1692 -0.0516 -0.4522 -0.0517      0.0000  0.4030  0.0236 -0.1155  0.0436  0.0051 -0.4856 -0.0190 -0.2683  0.0260
  o =  0.5203  v =  0.0033  0.4949  0.0105  0.1676 -0.0018 -0.0008  0.4851  0.0205 -0.0858  0.0043      0.0000 -0.1444  0.0539  0.4975 -0.0503 -0.0029 -0.1095  0.0585 -0.4410 -0.0039
  o =  0.5375  v = -0.0141  0.2054  0.0024 -0.3651  0.0191  0.0086  0.2642  0.0007 -0.0063  0.5325      0.0000 -0.3610  0.0005 -0.1854  0.3902 -0.0154 -0.0192  0.0031  0.2560  0.2956
  o =  0.5384  v =  0.0175  0.1188 -0.0028 -0.2386 -0.0550  0.0053 -0.4205 -0.0004 -0.0375  0.3526      0.0000 -0.2350  0.0003 -0.1111 -0.6038 -0.0098  0.0546  0.0021 -0.4030  0.1593
  o =  0.5938  v = -0.1541 -0.0028 -0.0148 -0.0258  0.0011 -0.1074 -0.0049  0.0278 -0.0007 -0.0609      0.0000 -0.0222  0.1395  0.0039 -0.0112 -0.9685 -0.0008 -0.0315  0.0135  0.0081
  o =  0.5952  v =  0.6716 -0.0231  0.1855 -0.0370  0.0012 -0.0136 -0.0193  0.5959  0.0115 -0.0059      0.0000  0.0335  0.0393 -0.0227  0.0427 -0.0977  0.0096  0.3768 -0.0147  0.0023
  o =  0.5961  v =  0.6782  0.0160 -0.0689  0.0292 -0.0001 -0.0061  0.0049 -0.5745 -0.0032 -0.0071      0.0000 -0.0391 -0.3154  0.0159  0.0414 -0.1596 -0.0035 -0.2725 -0.0349  0.0002
  o =  0.5971  v = -0.2453 -0.0158  0.3266 -0.0033 -0.0017  0.0136  0.0532  0.0260  0.0175 -0.0068      0.0000 -0.0013 -0.8527 -0.0169 -0.0171 -0.0995  0.0182  0.2987 -0.0420 -0.0016
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5946  0.0000 -0.0002  0.0002  0.0001     -0.0000 -0.0000 -0.0002  0.0000  0.0046
  0.0000  0.5242  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0020 -0.0000
 -0.0002  0.0000  0.5965 -0.0001 -0.0000      0.0002  0.0000  0.0000 -0.0000 -0.0001
  0.0002 -0.0001 -0.0001  0.5239 -0.0000     -0.0000  0.0020  0.0000 -0.0000 -0.0003
  0.0001  0.0001 -0.0000 -0.0000  0.5286     -0.0046  0.0000  0.0001  0.0003 -0.0000
 
spin component  2
 
 -0.0003  0.0023  0.0001 -0.0003  0.0000      0.0003 -0.0001 -0.0002 -0.0020  0.0001
 -0.0021  0.0002 -0.0002  0.0001 -0.0003      0.0000 -0.0001 -0.0044 -0.0000  0.0075
  0.0001 -0.0001 -0.0002 -0.0042  0.0000     -0.0003  0.0042 -0.0002 -0.0001 -0.0001
 -0.0002  0.0000  0.0043  0.0002  0.0074      0.0020 -0.0000  0.0001 -0.0001 -0.0002
  0.0000  0.0003 -0.0000 -0.0071  0.0001     -0.0001 -0.0069 -0.0001  0.0003 -0.0002
 
spin component  3
 
 -0.0003 -0.0021  0.0001 -0.0002  0.0000     -0.0003 -0.0000  0.0003 -0.0020  0.0001
  0.0023  0.0002 -0.0001  0.0000  0.0003      0.0001  0.0001 -0.0042  0.0000  0.0069
  0.0001 -0.0002 -0.0002  0.0043 -0.0000      0.0002  0.0044  0.0002 -0.0001  0.0001
 -0.0003  0.0001 -0.0042  0.0002 -0.0071      0.0020  0.0000  0.0001  0.0001 -0.0003
  0.0000 -0.0003  0.0000  0.0074  0.0001     -0.0001 -0.0075  0.0001  0.0002  0.0002
 
spin component  4
 
  0.5942 -0.0001  0.0002 -0.0001  0.0000      0.0000 -0.0001  0.0002  0.0000 -0.0045
 -0.0001  0.5235 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000  0.0036 -0.0001
  0.0002 -0.0000  0.5958  0.0000 -0.0001     -0.0002  0.0000 -0.0000 -0.0000  0.0001
 -0.0001 -0.0000  0.0000  0.5237  0.0000     -0.0000 -0.0036  0.0000 -0.0000 -0.0002
  0.0000  0.0001 -0.0001  0.0000  0.5279      0.0045  0.0001 -0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5165  v = -0.0313  0.1443  0.0022  0.4670 -0.0021 -0.0205 -0.2448  0.0041 -0.0194  0.5629      0.0000  0.3962 -0.0021 -0.1900  0.3065 -0.0578 -0.0196 -0.0018 -0.2118 -0.2165
  o =  0.5171  v =  0.0596  0.0471  0.0131  0.1765 -0.0117 -0.0098  0.4900 -0.0044 -0.0851  0.2712      0.0000  0.2466  0.0046 -0.1309 -0.6041 -0.0277 -0.1133 -0.0042  0.4150 -0.1141
  o =  0.5195  v =  0.0095 -0.0330 -0.0749  0.0414 -0.0216  0.0013 -0.1504 -0.0010  0.6703  0.0585      0.0000  0.0442 -0.0241 -0.0431 -0.0745 -0.0042  0.6487 -0.0041  0.2915 -0.0021
  o =  0.5216  v =  0.0037  0.4545 -0.0016  0.5692 -0.0054 -0.0044  0.0628  0.0652  0.0206 -0.0140      0.0000 -0.5621  0.0039  0.3711 -0.0523  0.0038  0.0291  0.0452  0.0208 -0.0302
  o =  0.5369  v = -0.0018 -0.0222 -0.0002  0.4773  0.0356  0.0034  0.0139 -0.0014  0.0277 -0.7344      0.0000  0.4776 -0.0014 -0.0082  0.0250  0.0213 -0.0249 -0.0031  0.0116 -0.0114
  o =  0.5384  v =  0.0232 -0.0296 -0.0051  0.0207  0.0144 -0.0004 -0.4835 -0.0018  0.0169 -0.0197      0.0000  0.0091 -0.0012  0.0202 -0.7253  0.0008  0.0042 -0.0003 -0.4852 -0.0385
  o =  0.5942  v = -0.5383 -0.0300  0.0019 -0.0117  0.0002 -0.6441  0.0170  0.0323  0.0027 -0.0321      0.0000 -0.0110 -0.0610  0.0064 -0.0354 -0.5005  0.0014  0.1864  0.0096  0.0386
  o =  0.5953  v =  0.8063 -0.0066  0.1277 -0.0011  0.0004 -0.4541 -0.0221 -0.0620  0.0061 -0.0207      0.0000 -0.0114  0.0380  0.0176  0.0505 -0.3276  0.0079 -0.0979 -0.0164  0.0287
  o =  0.5962  v = -0.1814  0.0505  0.2128  0.0024 -0.0026 -0.0527  0.0219 -0.0937  0.0111 -0.0008      0.0000 -0.0053 -0.3082  0.0519 -0.0120 -0.0397  0.0145 -0.8984 -0.0139  0.0040
  o =  0.5972  v =  0.1482 -0.0046 -0.4264 -0.0202 -0.0007  0.0663  0.0439  0.3410 -0.0256 -0.0043      0.0000  0.0159 -0.8062 -0.0067  0.0098 -0.0850 -0.0218  0.1102 -0.0476 -0.0037
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5980 -0.0001 -0.0003 -0.0001 -0.0001      0.0000 -0.0000  0.0001 -0.0000  0.0031
 -0.0001  0.5304  0.0001 -0.0001 -0.0000      0.0000  0.0000  0.0000  0.0023  0.0001
 -0.0003  0.0001  0.5985  0.0000 -0.0003     -0.0001 -0.0000 -0.0000  0.0000  0.0000
 -0.0001 -0.0001  0.0000  0.5302 -0.0002      0.0000 -0.0023 -0.0000 -0.0000 -0.0000
 -0.0001 -0.0000 -0.0003 -0.0002  0.5368     -0.0031 -0.0001 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0002  0.0017 -0.0003  0.0002  0.0001      0.0000 -0.0001  0.0003 -0.0019  0.0001
 -0.0015  0.0003 -0.0000 -0.0000 -0.0002      0.0001  0.0000 -0.0031  0.0000  0.0019
  0.0001  0.0000 -0.0007 -0.0028 -0.0000     -0.0002  0.0028 -0.0007  0.0001  0.0000
 -0.0002 -0.0001  0.0031  0.0000  0.0017      0.0016  0.0001 -0.0000  0.0000 -0.0001
 -0.0000  0.0001  0.0000 -0.0014 -0.0000      0.0000 -0.0014  0.0001  0.0002 -0.0001
 
spin component  3
 
 -0.0002 -0.0015  0.0001 -0.0002 -0.0000     -0.0000 -0.0001  0.0002 -0.0016 -0.0000
  0.0017  0.0003  0.0000 -0.0001  0.0001      0.0001 -0.0000 -0.0028 -0.0001  0.0014
 -0.0003 -0.0000 -0.0007  0.0031  0.0000     -0.0003  0.0031  0.0007  0.0000 -0.0001
  0.0002 -0.0000 -0.0028  0.0000 -0.0014      0.0019 -0.0000 -0.0001 -0.0000 -0.0002
  0.0001 -0.0002 -0.0000  0.0017 -0.0000     -0.0001 -0.0019 -0.0000  0.0001  0.0001
 
spin component  4
 
  0.5973  0.0002  0.0003  0.0002 -0.0000     -0.0000 -0.0000  0.0002  0.0000 -0.0028
  0.0002  0.5288 -0.0001 -0.0000  0.0001      0.0000 -0.0000  0.0001  0.0001  0.0002
  0.0003 -0.0001  0.5983 -0.0000  0.0002     -0.0002 -0.0001  0.0000  0.0000  0.0002
  0.0002 -0.0000 -0.0000  0.5291  0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
 -0.0000  0.0001  0.0002  0.0000  0.5354      0.0028 -0.0002 -0.0002 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5273  v =  0.0020  0.4836  0.0012  0.4818  0.0130 -0.0326 -0.0713  0.0013 -0.0236  0.1798      0.0000  0.4580 -0.0082 -0.4939 -0.0153 -0.0312 -0.0335  0.0014  0.0997 -0.1698
  o =  0.5281  v = -0.0399  0.0287 -0.0038  0.0054 -0.0128  0.0031 -0.8476 -0.0013  0.0339  0.0128      0.0000  0.0007 -0.0164  0.0489  0.2851 -0.0002  0.0410  0.0040 -0.4372  0.0295
  o =  0.5287  v = -0.0142  0.0522  0.0159  0.0177  0.0292 -0.0072  0.4386  0.0017 -0.1940 -0.0006      0.0000  0.0209  0.0568 -0.1126  0.0775  0.0020 -0.1677 -0.0026 -0.8445 -0.0443
  o =  0.5323  v =  0.0024  0.6822 -0.0005  0.2254  0.0010 -0.0004  0.0613  0.0178 -0.0111 -0.0508      0.0000 -0.2264  0.0042  0.6495 -0.0053 -0.0011 -0.0246  0.0566 -0.0067  0.0066
  o =  0.5359  v = -0.0038 -0.1821 -0.0011  0.0680  0.0151 -0.0339 -0.0206  0.0056  0.0043 -0.1517      0.0000  0.0000 -0.0005  0.1673  0.0577  0.0046 -0.0139  0.0016  0.0152 -0.9516
  o =  0.5375  v =  0.0384 -0.0164 -0.0010  0.0048  0.0304  0.0015 -0.2136  0.0003  0.0200  0.0128      0.0000  0.0009 -0.0048  0.0284 -0.9510  0.0007  0.0152  0.0001 -0.2079 -0.0498
  o =  0.5970  v =  0.3034  0.0360  0.3658  0.0115 -0.0018  0.6606  0.0080 -0.0626  0.0176  0.0107      0.0000  0.0012 -0.2829  0.0021  0.0187  0.2319  0.0171 -0.4428 -0.0188 -0.0320
  o =  0.5980  v =  0.3414  0.0046  0.3980 -0.0314 -0.0016 -0.3879 -0.0063  0.3764  0.0161 -0.0233      0.0000  0.0029 -0.0500  0.0233  0.0163 -0.5629  0.0161 -0.3319 -0.0108  0.0164
  o =  0.5984  v = -0.8807  0.0159  0.1993 -0.0101  0.0005  0.0887  0.0242  0.2047  0.0111 -0.0039      0.0000  0.0051 -0.1659  0.0109 -0.0422 -0.1281  0.0100 -0.2962  0.0115 -0.0040
  o =  0.5996  v = -0.1117 -0.0062  0.6381  0.0237 -0.0026 -0.0902 -0.0138 -0.6332  0.0278 -0.0045      0.0000 -0.0274  0.3836 -0.0034 -0.0076 -0.0818  0.0278  0.1181  0.0186  0.0016
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5987 -0.0003  0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0027
 -0.0003  0.5293 -0.0000  0.0000 -0.0001      0.0000 -0.0000  0.0001  0.0006  0.0005
  0.0000 -0.0000  0.5983 -0.0000 -0.0001     -0.0000 -0.0001 -0.0000  0.0001 -0.0001
  0.0000  0.0000 -0.0000  0.5295 -0.0001     -0.0000 -0.0006 -0.0001 -0.0000  0.0003
 -0.0000 -0.0001 -0.0001 -0.0001  0.5359     -0.0027 -0.0005  0.0001 -0.0003 -0.0000
 
spin component  2
 
 -0.0004  0.0017  0.0000  0.0000  0.0001      0.0008 -0.0001 -0.0003 -0.0015 -0.0001
 -0.0015 -0.0003  0.0001  0.0001 -0.0002      0.0000  0.0002 -0.0030 -0.0003  0.0014
  0.0006  0.0000 -0.0003 -0.0029  0.0003      0.0002  0.0029  0.0002 -0.0001 -0.0000
 -0.0000 -0.0001  0.0031 -0.0003  0.0014      0.0017 -0.0001 -0.0002  0.0002 -0.0001
 -0.0000  0.0001  0.0002 -0.0016 -0.0003     -0.0000 -0.0015 -0.0000  0.0001 -0.0000
 
spin component  3
 
 -0.0004 -0.0015  0.0006 -0.0000 -0.0000     -0.0008 -0.0000 -0.0002 -0.0017  0.0000
  0.0017 -0.0003  0.0000 -0.0001  0.0001      0.0001 -0.0002 -0.0029  0.0001  0.0015
  0.0000  0.0001 -0.0003  0.0031  0.0002      0.0003  0.0030 -0.0002  0.0002  0.0000
  0.0000  0.0001 -0.0029 -0.0003 -0.0016      0.0015  0.0003  0.0001 -0.0002 -0.0001
  0.0001 -0.0002  0.0003  0.0014 -0.0003      0.0001 -0.0014  0.0000  0.0001  0.0000
 
spin component  4
 
  0.5975  0.0002 -0.0002 -0.0000 -0.0001      0.0000  0.0001 -0.0001 -0.0000 -0.0028
  0.0002  0.5308  0.0000  0.0000 -0.0001     -0.0001 -0.0000  0.0000 -0.0021  0.0004
 -0.0002  0.0000  0.5986  0.0000 -0.0002      0.0001 -0.0000  0.0000  0.0001  0.0001
 -0.0000  0.0000  0.0000  0.5302  0.0000      0.0000  0.0021 -0.0001 -0.0000  0.0002
 -0.0001 -0.0001 -0.0002  0.0000  0.5370      0.0028 -0.0004 -0.0001 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5276  v = -0.0402 -0.2466  0.0025 -0.1226 -0.0102  0.0094 -0.6206 -0.0031 -0.0049 -0.0368      0.0000 -0.0146  0.0038 -0.0527  0.2508  0.0030  0.0094 -0.0123 -0.6821  0.0667
  o =  0.5280  v = -0.0042  0.2521 -0.0044  0.5616  0.0220 -0.0166 -0.1245 -0.0026  0.1373  0.2209      0.0000  0.6360 -0.0008 -0.3352  0.0066 -0.0373 -0.0064 -0.0051 -0.0879 -0.1047
  o =  0.5299  v = -0.0066  0.5456  0.0034  0.4503  0.0271 -0.0003 -0.1014  0.0351 -0.0683  0.0028      0.0000 -0.3516  0.0046  0.5572  0.0178 -0.0028 -0.0040  0.0455 -0.2126  0.0296
  o =  0.5323  v =  0.0015 -0.0352  0.0536  0.0135  0.0047 -0.0027  0.4097 -0.0042 -0.5262 -0.0173      0.0000  0.1141  0.0368 -0.0440 -0.0572  0.0001 -0.6152 -0.0035 -0.3892 -0.0325
  o =  0.5364  v =  0.0324 -0.0721 -0.0045 -0.0105 -0.0085 -0.0006 -0.1884 -0.0023  0.0299 -0.0884      0.0000  0.0249 -0.0023  0.0391 -0.9569  0.0054  0.0492  0.0027 -0.1586 -0.0621
  o =  0.5375  v =  0.0057  0.1570 -0.0006 -0.0877  0.0452  0.0331  0.0279 -0.0022  0.0200  0.3524      0.0000 -0.0510 -0.0001 -0.1657 -0.1119 -0.0116 -0.0365  0.0031 -0.0268  0.8913
  o =  0.5970  v =  0.4841 -0.0004 -0.1659  0.0258  0.0010  0.3316 -0.0156 -0.2162 -0.0086  0.0326      0.0000  0.0076  0.1173 -0.0140  0.0230  0.7292 -0.0048  0.1809 -0.0072 -0.0165
  o =  0.5984  v =  0.0711  0.0026 -0.5696  0.0160 -0.0013 -0.0180 -0.0218 -0.5751 -0.0281 -0.0174      0.0000 -0.0323  0.4227  0.0037  0.0028 -0.3897 -0.0266 -0.0707  0.0164  0.0016
  o =  0.5987  v = -0.5163  0.0006 -0.5098 -0.0152  0.0038 -0.0054 -0.0065  0.4946 -0.0242  0.0104      0.0000  0.0289  0.3605 -0.0041 -0.0210  0.3017 -0.0223  0.0653  0.0282  0.0011
  o =  0.5998  v = -0.7009  0.0049  0.2030  0.0289 -0.0020  0.2309  0.0214 -0.5723  0.0095  0.0126      0.0000 -0.0180 -0.1420 -0.0061 -0.0283  0.2421  0.0107  0.0701  0.0092 -0.0113
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5908  0.0002  0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0003 -0.0001  0.0234
  0.0002  0.5956  0.0001  0.0001 -0.0002     -0.0000 -0.0000 -0.0001  0.1617  0.0001
  0.0001  0.0001  0.5946  0.0002  0.0000      0.0003  0.0001 -0.0000  0.0000  0.0001
  0.0000  0.0001  0.0002  0.5954  0.0018      0.0001 -0.1617 -0.0000  0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.0018  0.6059     -0.0234 -0.0001 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0111 -0.0001 -0.0001  0.0001      0.0002  0.0000 -0.0001 -0.0112  0.0001
 -0.0114  0.0054  0.0001 -0.0004 -0.0000      0.0001 -0.0011 -0.0203  0.0020 -0.1397
 -0.0003  0.0001  0.0002 -0.0203 -0.0003      0.0000  0.0203  0.0000 -0.0001 -0.0001
 -0.0001 -0.0004  0.0203  0.0092 -0.1396      0.0114  0.0020  0.0000 -0.0009  0.0001
  0.0000 -0.0001 -0.0004  0.1399  0.0039      0.0002  0.1398 -0.0001 -0.0000 -0.0006
 
spin component  3
 
 -0.0000 -0.0114 -0.0003 -0.0001  0.0000     -0.0002 -0.0001 -0.0000 -0.0114 -0.0002
  0.0111  0.0054  0.0001 -0.0004 -0.0001     -0.0000  0.0011 -0.0203 -0.0020 -0.1398
 -0.0001  0.0001  0.0002  0.0203 -0.0004      0.0001  0.0203 -0.0000 -0.0000  0.0001
 -0.0001 -0.0004 -0.0203  0.0092  0.1399      0.0112 -0.0020  0.0001  0.0009  0.0000
  0.0001 -0.0000 -0.0003 -0.1396  0.0039     -0.0001  0.1397  0.0001 -0.0001  0.0006
 
spin component  4
 
  0.5908 -0.0001 -0.0002 -0.0000 -0.0001      0.0000  0.0001 -0.0001  0.0000 -0.0233
 -0.0001  0.5959  0.0001 -0.0001  0.0002     -0.0001  0.0000 -0.0002 -0.1616  0.0001
 -0.0002  0.0001  0.5943 -0.0002  0.0001      0.0001  0.0002  0.0000 -0.0000 -0.0001
 -0.0000 -0.0001 -0.0002  0.5961 -0.0018     -0.0000  0.1616  0.0000 -0.0000 -0.0000
 -0.0001  0.0002  0.0001 -0.0018  0.6066      0.0233 -0.0001  0.0001  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3018  v =  0.0018  0.4266 -0.0002  0.0569 -0.0087 -0.0016  0.3941 -0.0003 -0.0115 -0.0526      0.0000  0.0589 -0.0000 -0.4414  0.3661 -0.0002  0.0075 -0.0003  0.4092  0.3958
  o =  0.3071  v = -0.0012  0.4031  0.0001  0.0453  0.0010 -0.0007 -0.4410 -0.0002 -0.0004 -0.0419      0.0000  0.0436 -0.0000 -0.3877 -0.4081 -0.0000 -0.0034 -0.0001 -0.4265  0.3722
  o =  0.5851  v = -0.7524  0.0324  0.0390  0.0244 -0.0011 -0.4216 -0.0652 -0.0724 -0.0052  0.0722      0.0000  0.0413 -0.0721 -0.0324  0.1210 -0.4567 -0.0071 -0.0139 -0.0459 -0.0692
  o =  0.5857  v = -0.6233 -0.0267  0.0014 -0.0411  0.0006  0.5211 -0.0442 -0.0208 -0.0001 -0.0863      0.0000 -0.0368 -0.0171  0.0442  0.0982  0.5502  0.0020  0.0594 -0.0424  0.0802
  o =  0.5893  v = -0.0902 -0.0650 -0.4069  0.0772  0.0042 -0.0377  0.0199  0.6549  0.0487 -0.0059      0.0000 -0.0817  0.2244 -0.0702  0.0127  0.0261  0.0494 -0.5627 -0.0338 -0.0039
  o =  0.5899  v = -0.0521  0.0571  0.1232  0.0207  0.0002 -0.0527  0.0993  0.1519 -0.0153  0.0050      0.0000 -0.0168  0.8565  0.0491  0.0111 -0.0260 -0.0152  0.4400 -0.1073 -0.0042
  o =  0.7382  v =  0.1391  0.3156 -0.0046  0.0387  0.0001  0.1257 -0.3314 -0.0021 -0.0166  0.0704      0.0000  0.0276  0.0152 -0.1975  0.5970  0.0168 -0.0167 -0.0178 -0.2285 -0.5469
  o =  0.7433  v = -0.1219  0.2055 -0.0058  0.0281  0.0001  0.1307  0.1866  0.0033 -0.0187  0.0775      0.0000  0.0423  0.0192 -0.3371 -0.5557  0.0170 -0.0184  0.0183  0.3182 -0.5975
  o =  0.7624  v =  0.0180 -0.6009 -0.0830 -0.0996 -0.0030 -0.0023 -0.0187  0.0168 -0.3415 -0.0491      0.0000  0.0414 -0.0079 -0.5897  0.0843 -0.0100 -0.3436  0.1433 -0.0809  0.0124
  o =  0.7631  v =  0.0100 -0.3499  0.1399  0.0607  0.0011 -0.0019 -0.1706 -0.0028  0.5844  0.0809      0.0000  0.0358  0.0341 -0.3379  0.0493  0.0170  0.5815  0.0831  0.1124  0.0111
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5905 -0.0001 -0.0003 -0.0000 -0.0001      0.0000  0.0000  0.0001  0.0001  0.0234
 -0.0001  0.5936  0.0000 -0.0000 -0.0001     -0.0000  0.0000 -0.0000  0.1634  0.0001
 -0.0003  0.0000  0.5941 -0.0001  0.0001     -0.0001  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0001  0.5940 -0.0002     -0.0001 -0.1634 -0.0000  0.0000 -0.0001
 -0.0001 -0.0001  0.0001 -0.0002  0.6021     -0.0234 -0.0001  0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0004  0.0112  0.0001 -0.0001 -0.0002     -0.0002  0.0001 -0.0002 -0.0112 -0.0001
 -0.0115 -0.0009 -0.0001 -0.0001  0.0001     -0.0001 -0.0007 -0.0205 -0.0002 -0.1414
 -0.0000  0.0001 -0.0001 -0.0205  0.0001     -0.0004  0.0204 -0.0002  0.0000 -0.0000
 -0.0001 -0.0001  0.0204 -0.0018 -0.1416      0.0116 -0.0001 -0.0000 -0.0003  0.0001
 -0.0001 -0.0001  0.0001  0.1392 -0.0008     -0.0002  0.1393  0.0001 -0.0001 -0.0002
 
spin component  3
 
 -0.0004 -0.0115 -0.0000 -0.0001 -0.0001      0.0002  0.0001  0.0004 -0.0116  0.0002
  0.0112 -0.0009  0.0001 -0.0001 -0.0001     -0.0001  0.0007 -0.0204  0.0001 -0.1393
  0.0001 -0.0001 -0.0001  0.0204  0.0001      0.0002  0.0205  0.0002  0.0000 -0.0001
 -0.0001 -0.0001 -0.0205 -0.0018  0.1392      0.0112  0.0002 -0.0000  0.0003  0.0001
 -0.0002  0.0001  0.0001 -0.1416 -0.0008      0.0001  0.1414  0.0000 -0.0001  0.0002
 
spin component  4
 
  0.5910  0.0001  0.0000  0.0001  0.0000     -0.0000 -0.0001 -0.0002  0.0000 -0.0236
  0.0001  0.5993  0.0001 -0.0001  0.0001      0.0001 -0.0000  0.0001 -0.1636  0.0000
  0.0000  0.0001  0.5945  0.0001 -0.0002      0.0002 -0.0001 -0.0000 -0.0001  0.0000
  0.0001 -0.0001  0.0001  0.5986  0.0003     -0.0000  0.1636  0.0001 -0.0000  0.0002
  0.0000  0.0001 -0.0002  0.0003  0.6106      0.0236 -0.0000 -0.0000 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3019  v = -0.0022  0.1060 -0.0002 -0.0774 -0.0829 -0.0005 -0.5662  0.0001 -0.0887  0.0695      0.0000 -0.0781 -0.0001 -0.1097 -0.5340  0.0004  0.0877  0.0003 -0.5677  0.0965
  o =  0.3040  v =  0.0004  0.1452 -0.0001 -0.5611  0.0935 -0.0005  0.0858  0.0001  0.0959  0.5103      0.0000 -0.5622 -0.0005 -0.1441  0.0821  0.0019 -0.0996  0.0001  0.0868  0.1314
  o =  0.5848  v =  0.8511 -0.0289  0.0684  0.0246  0.0007  0.3596  0.0615  0.0147 -0.0082  0.0515      0.0000  0.0211  0.0016  0.0195 -0.1350 -0.3251 -0.0070 -0.0429  0.0621  0.0554
  o =  0.5858  v = -0.4791 -0.0348 -0.0180  0.0450  0.0013  0.6214 -0.0291  0.0322  0.0019  0.0925      0.0000  0.0368  0.0564  0.0541  0.0763 -0.5815  0.0029  0.0843 -0.0417  0.0998
  o =  0.5892  v =  0.1003  0.0616 -0.7509 -0.0090  0.0002 -0.0663  0.0565 -0.0903  0.0883  0.0053      0.0000  0.0130  0.4143  0.0514 -0.0170 -0.0293  0.0886  0.4620 -0.0407 -0.0109
  o =  0.5896  v = -0.0378 -0.0980 -0.2270 -0.0375  0.0007  0.0222  0.0470 -0.3187  0.0273  0.0047      0.0000  0.0408  0.4216 -0.0964  0.0066 -0.0305  0.0275 -0.7986 -0.0528  0.0022
  o =  0.7408  v =  0.1800 -0.1145 -0.0008  0.0426 -0.0018 -0.0478 -0.3717 -0.0021 -0.0010  0.0781      0.0000  0.0289  0.0011  0.0745  0.7870  0.0166 -0.0025  0.0057 -0.3711  0.2058
  o =  0.7425  v =  0.0473  0.3297 -0.0023 -0.1271  0.0035  0.1645 -0.0887 -0.0012 -0.0119 -0.2945      0.0000 -0.1403 -0.0043 -0.3424  0.2193 -0.0660 -0.0082  0.0032 -0.1158 -0.7404
  o =  0.7623  v = -0.0050 -0.6397  0.0060  0.2754  0.0010 -0.0007  0.0482 -0.0670  0.0252  0.0044      0.0000 -0.2715 -0.0078 -0.6385 -0.0251  0.0013  0.0266  0.1556 -0.0196  0.0022
  o =  0.7673  v = -0.0010 -0.0071 -0.1614  0.0519 -0.0011 -0.0016  0.1315 -0.0101 -0.6830  0.0165      0.0000 -0.0330 -0.0297  0.0021 -0.0064  0.0030 -0.6850 -0.0002 -0.1251  0.0071
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5980  0.0001  0.0001  0.0001 -0.0000     -0.0000 -0.0000 -0.0001 -0.0001  0.0030
  0.0001  0.5315 -0.0000 -0.0001  0.0003      0.0000  0.0000 -0.0000  0.0026  0.0002
  0.0001 -0.0000  0.5990  0.0000 -0.0002      0.0001  0.0000 -0.0000 -0.0001 -0.0000
  0.0001 -0.0001  0.0000  0.5306  0.0000      0.0001 -0.0026  0.0001 -0.0000 -0.0001
 -0.0000  0.0003 -0.0002  0.0000  0.5373     -0.0030 -0.0002  0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0003  0.0015  0.0007 -0.0000  0.0000     -0.0001  0.0001  0.0004 -0.0016  0.0001
 -0.0016  0.0001  0.0001  0.0001 -0.0001      0.0002  0.0000 -0.0030  0.0000  0.0016
 -0.0002 -0.0000 -0.0001 -0.0029  0.0000     -0.0001  0.0031  0.0003  0.0000 -0.0000
 -0.0001 -0.0000  0.0029 -0.0001  0.0013      0.0014  0.0000  0.0000 -0.0001 -0.0003
 -0.0000  0.0001  0.0000 -0.0013  0.0000      0.0001 -0.0012 -0.0003 -0.0001 -0.0001
 
spin component  3
 
 -0.0003 -0.0016 -0.0002 -0.0001 -0.0000      0.0001 -0.0002  0.0001 -0.0014 -0.0001
  0.0015  0.0001 -0.0000 -0.0000  0.0001     -0.0001 -0.0000 -0.0031 -0.0000  0.0012
  0.0007  0.0001 -0.0001  0.0029  0.0000     -0.0004  0.0030 -0.0003 -0.0000  0.0003
 -0.0000  0.0001 -0.0029 -0.0001 -0.0013      0.0016 -0.0000 -0.0000  0.0001  0.0001
  0.0000 -0.0001  0.0000  0.0013  0.0000     -0.0001 -0.0016  0.0000  0.0003  0.0001
 
spin component  4
 
  0.5978  0.0000  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0002  0.0001 -0.0027
  0.0000  0.5291 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0003  0.0001
  0.0000 -0.0000  0.5980  0.0001  0.0001     -0.0002 -0.0000 -0.0000  0.0000  0.0001
 -0.0000  0.0000  0.0001  0.5296 -0.0000     -0.0001  0.0003 -0.0000  0.0000 -0.0000
  0.0000 -0.0000  0.0001 -0.0000  0.5356      0.0027 -0.0001 -0.0001  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5279  v = -0.0074  0.5556 -0.0010  0.3528  0.0008 -0.0355 -0.1072  0.0035 -0.0065  0.0925      0.0000  0.2745 -0.0003 -0.6457  0.0180 -0.0175  0.0350 -0.0017 -0.0829 -0.2108
  o =  0.5283  v = -0.0373 -0.0544 -0.0010 -0.0546 -0.0082  0.0052 -0.8585  0.0012  0.0642 -0.0255      0.0000 -0.0800 -0.0177  0.0776  0.2360  0.0040 -0.0134  0.0016 -0.4255  0.0319
  o =  0.5295  v = -0.0099 -0.0421  0.0173 -0.0010  0.0366  0.0010  0.4221  0.0008 -0.2340  0.0056      0.0000 -0.0026  0.0541 -0.0036  0.0503 -0.0008 -0.1868 -0.0006 -0.8504 -0.0016
  o =  0.5334  v = -0.0017 -0.3933  0.0009  0.5634 -0.0089  0.0036  0.0165  0.0559 -0.0142 -0.0288      0.0000 -0.6393 -0.0022 -0.3254  0.0617  0.0016 -0.0282 -0.0336  0.0434  0.0337
  o =  0.5359  v =  0.0036  0.1280 -0.0035  0.0990 -0.0292  0.0272 -0.0010 -0.0012 -0.0056 -0.6050      0.0000  0.1273 -0.0031 -0.1162 -0.0692  0.0206  0.0069 -0.0020 -0.0178  0.7555
  o =  0.5378  v =  0.0396 -0.0418 -0.0021  0.0170  0.0070  0.0012 -0.1832  0.0041  0.0326  0.0613      0.0000 -0.0659 -0.0048 -0.0131 -0.9634 -0.0011  0.0069 -0.0019 -0.1562 -0.0289
  o =  0.5974  v =  0.3571  0.0338 -0.3609 -0.0061  0.0020  0.7706 -0.0032  0.0539 -0.0156 -0.0049      0.0000  0.0006 -0.1019 -0.0022  0.0189 -0.1401 -0.0166 -0.3346 -0.0106 -0.0362
  o =  0.5981  v =  0.6825 -0.0119  0.0966 -0.0313 -0.0002 -0.2618 -0.0198  0.6139  0.0046 -0.0077      0.0000  0.0248  0.1179 -0.0022  0.0321 -0.1884  0.0024  0.1632 -0.0074  0.0118
  o =  0.5985  v = -0.6264  0.0018 -0.1084 -0.0387  0.0012  0.1163  0.0167  0.6761 -0.0021 -0.0121      0.0000  0.0249 -0.0826 -0.0007 -0.0295 -0.3389 -0.0035 -0.0080  0.0088 -0.0034
  o =  0.5996  v = -0.1062  0.0053  0.0450  0.0020  0.0002  0.2247 -0.0356  0.1388  0.0020  0.0098      0.0000  0.0132  0.9011 -0.0033 -0.0081  0.3175  0.0034 -0.0298  0.0399 -0.0081
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983 -0.0001 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0006  0.0000  0.0026
 -0.0001  0.5299 -0.0001  0.0000 -0.0001      0.0000 -0.0000  0.0000  0.0010  0.0005
 -0.0001 -0.0001  0.5984  0.0000  0.0002     -0.0006 -0.0000 -0.0000  0.0001 -0.0000
 -0.0000  0.0000  0.0000  0.5303 -0.0002     -0.0000 -0.0010 -0.0001  0.0000  0.0003
  0.0000 -0.0001  0.0002 -0.0002  0.5362     -0.0026 -0.0005  0.0000 -0.0003  0.0000
 
spin component  2
 
 -0.0004  0.0012  0.0004  0.0001  0.0000      0.0001 -0.0000  0.0003 -0.0014  0.0000
 -0.0016 -0.0004 -0.0001  0.0001  0.0001     -0.0000  0.0002 -0.0029 -0.0001  0.0010
  0.0000 -0.0002  0.0002 -0.0032  0.0002     -0.0001  0.0031 -0.0002 -0.0000  0.0001
 -0.0001  0.0001  0.0029 -0.0004  0.0011      0.0014 -0.0001 -0.0001  0.0001  0.0000
 -0.0001  0.0001  0.0002 -0.0011 -0.0004     -0.0001 -0.0013 -0.0000  0.0002  0.0001
 
spin component  3
 
 -0.0004 -0.0016  0.0000 -0.0001 -0.0001     -0.0001  0.0000  0.0001 -0.0014  0.0001
  0.0012 -0.0004 -0.0002  0.0001  0.0001      0.0000 -0.0002 -0.0031  0.0001  0.0013
  0.0004 -0.0001  0.0002  0.0029  0.0002     -0.0003  0.0029  0.0002  0.0001  0.0000
  0.0001  0.0001 -0.0032 -0.0004 -0.0011      0.0014  0.0001  0.0000 -0.0001 -0.0002
  0.0000  0.0001  0.0002  0.0011 -0.0004     -0.0000 -0.0010 -0.0001 -0.0000 -0.0001
 
spin component  4
 
  0.5975  0.0000  0.0001 -0.0000 -0.0001     -0.0000  0.0000 -0.0006 -0.0000 -0.0027
  0.0000  0.5313  0.0001 -0.0001 -0.0001     -0.0000 -0.0000  0.0001 -0.0026  0.0004
  0.0001  0.0001  0.5991 -0.0000 -0.0002      0.0006 -0.0001  0.0000  0.0000 -0.0001
 -0.0000 -0.0001 -0.0000  0.5307  0.0003      0.0000  0.0026 -0.0000 -0.0000  0.0002
 -0.0001 -0.0001 -0.0002  0.0003  0.5376      0.0027 -0.0004  0.0001 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5279  v = -0.0360 -0.1854  0.0005  0.0260  0.0182  0.0053 -0.6410 -0.0049 -0.0213  0.0105      0.0000  0.1499  0.0021 -0.0196  0.1917 -0.0038  0.0075 -0.0081 -0.6972  0.0771
  o =  0.5286  v =  0.0065 -0.1397 -0.0065  0.6091  0.0516  0.0059  0.0670 -0.0037  0.1533  0.1892      0.0000  0.7111 -0.0010  0.1159 -0.0363 -0.0322 -0.0274  0.0003  0.1405  0.0313
  o =  0.5309  v =  0.0039 -0.5702 -0.0012 -0.3189 -0.0272 -0.0059  0.0911 -0.0276  0.0074  0.0226      0.0000  0.2387 -0.0004 -0.6964 -0.0003  0.0032  0.0342 -0.0586  0.1236 -0.0318
  o =  0.5333  v = -0.0024  0.0825  0.0044 -0.0325  0.0094 -0.0023 -0.7404 -0.0005 -0.0464  0.0009      0.0000 -0.0033 -0.0628 -0.0394 -0.0103  0.0011 -0.0881  0.0036  0.6543 -0.0121
  o =  0.5364  v = -0.0337  0.0833 -0.0005  0.0408  0.0036  0.0007  0.1227  0.0014  0.0092 -0.0089      0.0000 -0.0045 -0.0043 -0.0510  0.9702 -0.0003  0.0139 -0.0012  0.1462  0.0978
  o =  0.5379  v =  0.0061  0.1392 -0.0007 -0.0282 -0.0166  0.0385  0.0257 -0.0006  0.0172 -0.0129      0.0000  0.0185 -0.0030 -0.1329 -0.1216  0.0029 -0.0072  0.0045  0.0187  0.9714
  o =  0.5971  v =  0.3900  0.0026 -0.0664  0.0173 -0.0011  0.6712  0.0102 -0.1541 -0.0034  0.0173      0.0000 -0.0008 -0.4155 -0.0211  0.0160  0.4065 -0.0015  0.1677 -0.0274 -0.0327
  o =  0.5983  v = -0.6865 -0.0011 -0.3242  0.0134 -0.0022  0.2749 -0.0010 -0.1022 -0.0138  0.0179      0.0000  0.0015  0.3649 -0.0133 -0.0257  0.4165 -0.0150  0.1679  0.0292 -0.0125
  o =  0.5992  v = -0.5258 -0.0167  0.3514  0.0062 -0.0001 -0.0136  0.0382 -0.2132  0.0172 -0.0076      0.0000 -0.0139 -0.5976 -0.0168 -0.0226 -0.2565  0.0172  0.3575 -0.0156 -0.0021
  o =  0.5997  v = -0.3124  0.0381  0.0378 -0.0173  0.0015  0.2569  0.0199  0.3910  0.0027 -0.0013      0.0000  0.0205 -0.3141  0.0301 -0.0152  0.0239 -0.0000 -0.7609 -0.0077 -0.0100
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5898  0.0003  0.0000  0.0001 -0.0002      0.0000 -0.0001 -0.0001  0.0000  0.0227
  0.0003  0.5987  0.0002 -0.0004 -0.0002      0.0001 -0.0000 -0.0001  0.1530  0.0005
  0.0000  0.0002  0.5927  0.0000 -0.0001      0.0001  0.0001 -0.0000  0.0000 -0.0000
  0.0001 -0.0004  0.0000  0.5985  0.0017     -0.0000 -0.1530 -0.0000 -0.0000  0.0001
 -0.0002 -0.0002 -0.0001  0.0017  0.6061     -0.0227 -0.0005  0.0000 -0.0001 -0.0000
 
spin component  2
 
  0.0001  0.0116  0.0000  0.0001 -0.0000      0.0001  0.0000 -0.0002 -0.0116 -0.0000
 -0.0115  0.0037  0.0001 -0.0003 -0.0009     -0.0000 -0.0008 -0.0203  0.0015 -0.1328
 -0.0002 -0.0000  0.0003 -0.0203 -0.0002     -0.0001  0.0204  0.0000 -0.0000 -0.0000
 -0.0001 -0.0001  0.0204  0.0066 -0.1326      0.0115  0.0012  0.0001 -0.0004 -0.0008
 -0.0000  0.0010 -0.0005  0.1329  0.0027     -0.0001  0.1326 -0.0002  0.0007 -0.0002
 
spin component  3
 
  0.0001 -0.0115 -0.0002 -0.0001 -0.0000     -0.0001  0.0000  0.0001 -0.0115  0.0001
  0.0116  0.0037 -0.0000 -0.0001  0.0010     -0.0000  0.0008 -0.0204 -0.0012 -0.1326
  0.0000  0.0001  0.0003  0.0204 -0.0005      0.0002  0.0203 -0.0000 -0.0001  0.0002
  0.0001 -0.0003 -0.0203  0.0066  0.1329      0.0116 -0.0015  0.0000  0.0004 -0.0007
 -0.0000 -0.0009 -0.0002 -0.1326  0.0027      0.0000  0.1328  0.0000  0.0008  0.0002
 
spin component  4
 
  0.5901 -0.0003 -0.0002 -0.0000  0.0001      0.0000  0.0001  0.0001 -0.0001 -0.0227
 -0.0003  0.5988 -0.0001 -0.0002  0.0002     -0.0001  0.0000 -0.0002 -0.1527  0.0005
 -0.0002 -0.0001  0.5930 -0.0001  0.0001     -0.0001  0.0002  0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0001  0.5992 -0.0017      0.0001  0.1527  0.0000  0.0000  0.0001
  0.0001  0.0002  0.0001 -0.0017  0.6065      0.0227 -0.0005 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3200  v =  0.0025  0.4402 -0.0007  0.0099  0.0476 -0.0032  0.3805  0.0004  0.0511 -0.0099      0.0000  0.0100 -0.0001 -0.4517  0.3560  0.0002 -0.0515 -0.0001  0.3920  0.4112
  o =  0.3239  v = -0.0032  0.3929 -0.0002  0.0012 -0.0662 -0.0031 -0.4433  0.0000 -0.0719  0.0014      0.0000 -0.0045 -0.0001 -0.3807 -0.4128  0.0001  0.0685  0.0002 -0.4314  0.3653
  o =  0.5844  v =  0.9164 -0.0147 -0.0416 -0.0165  0.0011  0.0963  0.0708  0.0617  0.0039 -0.0531      0.0000 -0.0305  0.0357  0.0017 -0.1488  0.3272  0.0061 -0.0392  0.0619  0.0170
  o =  0.5848  v = -0.3446 -0.0121 -0.1134 -0.0554  0.0018  0.2866 -0.0237  0.0528  0.0142 -0.1414      0.0000 -0.0692  0.0004  0.0284  0.0553  0.8627  0.0166  0.0593 -0.0252  0.0456
  o =  0.5876  v = -0.0619 -0.0475 -0.2399  0.0195  0.0006 -0.1408  0.0940  0.1533  0.0286 -0.0025      0.0000 -0.0199  0.8053 -0.0669  0.0095  0.0125  0.0293 -0.4660 -0.1049 -0.0191
  o =  0.5882  v = -0.0476 -0.0732  0.3378  0.0723  0.0021 -0.0178 -0.0492  0.6020 -0.0418 -0.0050      0.0000 -0.0774 -0.3663 -0.0754  0.0056  0.0359 -0.0425 -0.5961  0.0423 -0.0045
  o =  0.7338  v =  0.1387  0.2982  0.0040 -0.0173 -0.0006  0.1306 -0.3100  0.0036  0.0164 -0.0087      0.0000  0.0097  0.0091 -0.2262  0.5952 -0.0024  0.0169 -0.0109 -0.2521 -0.5554
  o =  0.7371  v =  0.1264 -0.2421  0.0075  0.0305 -0.0030 -0.1355 -0.2256 -0.0064  0.0271  0.0119      0.0000 -0.0178 -0.0113  0.3109  0.5591  0.0033  0.0230 -0.0096 -0.2900  0.5999
  o =  0.7567  v =  0.0043 -0.5226  0.0854  0.1530 -0.0015 -0.0015 -0.2919 -0.0353  0.3542  0.0012      0.0000 -0.1380  0.0686 -0.5082  0.0203  0.0005  0.3450  0.1282  0.2573  0.0077
  o =  0.7570  v =  0.0124 -0.4341 -0.1298 -0.1197 -0.0048 -0.0012  0.0697  0.0210 -0.5227 -0.0560      0.0000  0.0550 -0.0258 -0.4313  0.0606 -0.0122 -0.5241  0.1076 -0.1371  0.0045
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5899  0.0000 -0.0002 -0.0000 -0.0001     -0.0000 -0.0000 -0.0002 -0.0001  0.0226
  0.0000  0.5975 -0.0000 -0.0003 -0.0000      0.0000 -0.0000  0.0001  0.1529  0.0001
 -0.0002 -0.0000  0.5931 -0.0001  0.0000      0.0002 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0003 -0.0001  0.5974 -0.0000      0.0001 -0.1529 -0.0000  0.0000  0.0000
 -0.0001 -0.0000  0.0000 -0.0000  0.6033     -0.0226 -0.0001  0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0114 -0.0002 -0.0000  0.0001      0.0002  0.0000 -0.0001 -0.0113 -0.0002
 -0.0117 -0.0006 -0.0000  0.0001 -0.0008      0.0002 -0.0000 -0.0202 -0.0001 -0.1333
  0.0001  0.0001 -0.0000 -0.0203  0.0001      0.0001  0.0204  0.0004 -0.0000 -0.0000
 -0.0000 -0.0000  0.0202 -0.0011 -0.1332      0.0116 -0.0003  0.0000 -0.0000 -0.0010
 -0.0000  0.0009  0.0000  0.1316 -0.0004     -0.0001  0.1320  0.0001  0.0008  0.0002
 
spin component  3
 
 -0.0001 -0.0117  0.0001 -0.0000 -0.0000     -0.0002 -0.0002 -0.0001 -0.0116  0.0001
  0.0114 -0.0006  0.0001 -0.0000  0.0009     -0.0000  0.0000 -0.0204  0.0003 -0.1320
 -0.0002 -0.0000 -0.0000  0.0202  0.0000      0.0001  0.0202 -0.0004 -0.0000 -0.0001
 -0.0000  0.0001 -0.0203 -0.0011  0.1316      0.0113  0.0001  0.0000  0.0000 -0.0008
  0.0001 -0.0008  0.0001 -0.1332 -0.0004      0.0002  0.1333  0.0000  0.0010 -0.0002
 
spin component  4
 
  0.5899 -0.0000 -0.0001 -0.0001  0.0001      0.0000 -0.0000  0.0001  0.0000 -0.0228
 -0.0000  0.6004 -0.0001 -0.0003  0.0001      0.0000  0.0000 -0.0002 -0.1525 -0.0001
 -0.0001 -0.0001  0.5929  0.0002  0.0000     -0.0001  0.0002  0.0000  0.0001  0.0000
 -0.0001 -0.0003  0.0002  0.6002 -0.0000     -0.0000  0.1525 -0.0001  0.0000  0.0000
  0.0001  0.0001  0.0000 -0.0000  0.6093      0.0228  0.0001 -0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3217  v = -0.0044  0.0904  0.0001 -0.0220  0.0208 -0.0011 -0.5797  0.0002  0.0199  0.0210      0.0000 -0.0229  0.0000 -0.0924 -0.5484  0.0002 -0.0232  0.0002 -0.5804  0.0827
  o =  0.3232  v =  0.0002  0.5060 -0.0000 -0.2915  0.0216 -0.0033  0.0911  0.0000  0.0218  0.2694      0.0000 -0.2943 -0.0004 -0.5070  0.0858  0.0018 -0.0226  0.0000  0.0888  0.4666
  o =  0.5843  v =  0.7386 -0.0062  0.0256 -0.0438  0.0001  0.1866  0.0627 -0.0034 -0.0028 -0.0990      0.0000 -0.0435  0.0709  0.0193 -0.1205  0.6135 -0.0037  0.0455  0.0455  0.0299
  o =  0.5847  v =  0.6403  0.0172  0.0476  0.0440  0.0010 -0.2168  0.0472 -0.0512 -0.0065  0.1152      0.0000  0.0573 -0.0003 -0.0144 -0.1042 -0.7088 -0.0049  0.0133  0.0468 -0.0351
  o =  0.5876  v =  0.0866 -0.0818 -0.3418  0.0632 -0.0006 -0.0085 -0.0427  0.5059  0.0416 -0.0009      0.0000 -0.0633 -0.3949 -0.0828 -0.0133  0.0097  0.0405 -0.6586  0.0546 -0.0012
  o =  0.5884  v = -0.0323 -0.0527  0.6181  0.0329  0.0003 -0.0638  0.0658  0.2644 -0.0768 -0.0004      0.0000 -0.0330  0.5550 -0.0614  0.0058  0.0040 -0.0763 -0.4529 -0.0702 -0.0102
  o =  0.7347  v = -0.1883  0.0423 -0.0070  0.0267  0.0029  0.0166  0.3812  0.0009 -0.0267  0.0637      0.0000  0.0324  0.0011 -0.0209 -0.8097  0.0140 -0.0244 -0.0037  0.3862 -0.0672
  o =  0.7360  v =  0.0203  0.2503  0.0039  0.2419 -0.0008  0.1363 -0.0334  0.0042  0.0146  0.5561      0.0000  0.2707 -0.0022 -0.3014  0.0918  0.1265  0.0148  0.0074 -0.0519 -0.5981
  o =  0.7555  v =  0.0032  0.6888 -0.0029 -0.0945 -0.0008  0.0013 -0.0173  0.0274 -0.0125  0.0349      0.0000  0.1231  0.0025  0.6848  0.0161  0.0066 -0.0133 -0.1718 -0.0001 -0.0042
  o =  0.7578  v =  0.0074 -0.0110 -0.1693  0.0172  0.0005  0.0015 -0.1088 -0.0033 -0.6892  0.0149      0.0000 -0.0004  0.0233 -0.0163  0.0330  0.0032 -0.6893  0.0047  0.0814 -0.0054
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5945  0.0001 -0.0000 -0.0002 -0.0000      0.0000 -0.0000  0.0001 -0.0001  0.0046
  0.0001  0.5230 -0.0002 -0.0002 -0.0002      0.0000  0.0000 -0.0001 -0.0041 -0.0003
 -0.0000 -0.0002  0.5953  0.0001 -0.0001     -0.0001  0.0001  0.0000  0.0001  0.0001
 -0.0002 -0.0002  0.0001  0.5229  0.0001      0.0001  0.0041 -0.0001  0.0000  0.0003
 -0.0000 -0.0002 -0.0001  0.0001  0.5272     -0.0046  0.0003 -0.0001 -0.0003  0.0000
 
spin component  2
 
  0.0001  0.0022 -0.0000  0.0001  0.0001     -0.0002  0.0000  0.0001 -0.0021 -0.0000
 -0.0022  0.0002  0.0000  0.0001  0.0001      0.0000  0.0000 -0.0042  0.0002  0.0079
  0.0001 -0.0001 -0.0003 -0.0042 -0.0001     -0.0002  0.0044  0.0003  0.0002  0.0001
  0.0001  0.0001  0.0043  0.0004  0.0081      0.0021  0.0002  0.0001 -0.0000 -0.0001
 -0.0001  0.0000 -0.0001 -0.0081  0.0001     -0.0001 -0.0082  0.0000  0.0001 -0.0001
 
spin component  3
 
  0.0001 -0.0022  0.0001  0.0001 -0.0001      0.0002 -0.0000  0.0002 -0.0021  0.0001
  0.0022  0.0002 -0.0001  0.0001  0.0000     -0.0000 -0.0000 -0.0044 -0.0002  0.0082
 -0.0000  0.0000 -0.0003  0.0043 -0.0001     -0.0001  0.0042 -0.0003 -0.0001 -0.0000
  0.0001  0.0001 -0.0042  0.0004 -0.0081      0.0021 -0.0002 -0.0002  0.0000 -0.0001
  0.0001  0.0001 -0.0001  0.0081  0.0001      0.0000 -0.0079 -0.0001  0.0001  0.0001
 
spin component  4
 
  0.5941  0.0001 -0.0001  0.0003  0.0001      0.0000 -0.0001 -0.0000 -0.0000 -0.0045
  0.0001  0.5237  0.0002 -0.0002  0.0001      0.0001  0.0000 -0.0001  0.0034 -0.0003
 -0.0001  0.0002  0.5960 -0.0000  0.0001      0.0000  0.0001 -0.0000  0.0000 -0.0000
  0.0003 -0.0002 -0.0000  0.5236 -0.0002      0.0000 -0.0034 -0.0000  0.0000  0.0002
  0.0001  0.0001  0.0001 -0.0002  0.5276      0.0045  0.0003  0.0000 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5152  v = -0.0476  0.3917  0.0015  0.0601  0.0122 -0.0459 -0.3672 -0.0017 -0.0136  0.1143      0.0000  0.1066  0.0001 -0.2865  0.5029 -0.0097 -0.0002  0.0070 -0.3338 -0.4821
  o =  0.5156  v =  0.0476  0.2988 -0.0007  0.1888  0.0244 -0.0461  0.2894  0.0088  0.0006  0.1627      0.0000  0.0397 -0.0069 -0.3817 -0.4836 -0.0159  0.0469 -0.0031  0.4025 -0.4626
  o =  0.5184  v = -0.0088 -0.5708 -0.0085  0.4340  0.0065  0.0026 -0.0658  0.0469  0.0463  0.0318      0.0000 -0.3992 -0.0001 -0.5388  0.0961 -0.0023  0.0807 -0.0610 -0.0760  0.0311
  o =  0.5198  v = -0.0045 -0.0537 -0.0280 -0.0760 -0.0090  0.0050 -0.6694 -0.0065  0.2580 -0.0008      0.0000  0.0574 -0.0733  0.0156  0.0312 -0.0018  0.2587 -0.0037  0.6297  0.0488
  o =  0.5381  v =  0.0179 -0.2377 -0.0021  0.1169  0.0076 -0.0099 -0.4230  0.0009  0.0121 -0.1732      0.0000  0.1265 -0.0017  0.2261 -0.6007  0.0088 -0.0069 -0.0017 -0.4190 -0.3414
  o =  0.5391  v =  0.0067  0.3608  0.0026 -0.2329 -0.0244  0.0142 -0.2646  0.0021 -0.0134  0.3199      0.0000 -0.2156  0.0005 -0.3545 -0.3699 -0.0065  0.0234 -0.0014 -0.2751  0.5069
  o =  0.5943  v =  0.4000 -0.0029 -0.0807 -0.0199 -0.0013 -0.4031 -0.0103 -0.0190 -0.0061 -0.0509      0.0000 -0.0212 -0.0264  0.0140  0.0229 -0.8084 -0.0054 -0.1065 -0.0143  0.0252
  o =  0.5949  v =  0.8774  0.0130  0.0537  0.0075  0.0005  0.1631 -0.0109 -0.0096  0.0043  0.0221      0.0000  0.0087 -0.1896  0.0024  0.0554  0.3729  0.0024 -0.1439 -0.0299 -0.0077
  o =  0.5957  v = -0.2211  0.0178 -0.1658 -0.0089  0.0012 -0.1045  0.0548  0.2192 -0.0110  0.0016      0.0000  0.0163 -0.8635  0.0202 -0.0110  0.0265 -0.0100 -0.3347 -0.0429  0.0069
  o =  0.5967  v =  0.1280 -0.0415 -0.4032 -0.0298 -0.0011 -0.0381  0.0028  0.5029 -0.0236  0.0022      0.0000  0.0277 -0.1095 -0.0391  0.0079  0.0169 -0.0199  0.7406 -0.0085  0.0035
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5946 -0.0001  0.0000 -0.0000  0.0001      0.0000  0.0001  0.0001 -0.0001  0.0045
 -0.0001  0.5235  0.0001 -0.0001  0.0002     -0.0001  0.0000  0.0000 -0.0036  0.0004
  0.0000  0.0001  0.5957  0.0001 -0.0000     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0001  0.5236 -0.0001      0.0001  0.0036  0.0000  0.0000 -0.0001
  0.0001  0.0002 -0.0000 -0.0001  0.5279     -0.0045 -0.0004  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0021 -0.0003 -0.0001 -0.0000     -0.0001  0.0001  0.0003 -0.0021  0.0000
 -0.0022 -0.0000  0.0001 -0.0002 -0.0000      0.0001 -0.0002 -0.0041 -0.0001  0.0073
 -0.0003  0.0000  0.0005 -0.0043  0.0000      0.0003  0.0043 -0.0001  0.0001 -0.0001
 -0.0000 -0.0000  0.0043  0.0001  0.0074      0.0022  0.0000 -0.0001 -0.0001 -0.0001
  0.0000 -0.0000 -0.0001 -0.0074 -0.0001     -0.0001 -0.0076 -0.0001  0.0001  0.0000
 
spin component  3
 
 -0.0002 -0.0022 -0.0003 -0.0000  0.0000      0.0001 -0.0001 -0.0003 -0.0022  0.0001
  0.0021 -0.0000  0.0000 -0.0000 -0.0000     -0.0001  0.0002 -0.0043 -0.0000  0.0076
 -0.0003  0.0001  0.0005  0.0043 -0.0001     -0.0003  0.0041  0.0001  0.0001  0.0001
 -0.0001 -0.0002 -0.0043  0.0001 -0.0074      0.0021  0.0001 -0.0001  0.0001 -0.0001
 -0.0000 -0.0000  0.0000  0.0074 -0.0001     -0.0000 -0.0073  0.0001  0.0001 -0.0000
 
spin component  4
 
  0.5944  0.0000 -0.0004 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000 -0.0045
  0.0000  0.5240 -0.0002 -0.0000 -0.0002      0.0001 -0.0000  0.0000  0.0026  0.0004
 -0.0004 -0.0002  0.5964 -0.0001  0.0001      0.0000 -0.0000 -0.0000  0.0000  0.0000
 -0.0001 -0.0000 -0.0001  0.5242  0.0001     -0.0000 -0.0026 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0002  0.0001  0.0001  0.5283      0.0045 -0.0004 -0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.5162  v = -0.0536 -0.3545 -0.0019 -0.0595  0.0067  0.0406 -0.4155  0.0027  0.0271 -0.1180      0.0000 -0.1178 -0.0012  0.2588  0.5336  0.0119  0.0351 -0.0059 -0.3757  0.4133
  o =  0.5170  v =  0.0424 -0.3658 -0.0041 -0.1487 -0.0027  0.0511  0.2932 -0.0033  0.0291 -0.1596      0.0000 -0.0816 -0.0036  0.3949 -0.4294  0.0157  0.0373  0.0019  0.3470  0.5082
  o =  0.5195  v =  0.0060 -0.3003  0.0034  0.6469  0.0181  0.0024  0.0837  0.0710 -0.0615  0.0168      0.0000 -0.6212  0.0050 -0.2908 -0.0514 -0.0025 -0.0218 -0.0323  0.0105  0.0109
  o =  0.5211  v = -0.0019 -0.0144  0.0660 -0.0530  0.0028  0.0039  0.3811 -0.0058 -0.5768 -0.0214      0.0000  0.0405  0.0429  0.0719  0.0055  0.0012 -0.5910  0.0007 -0.3924  0.0476
  o =  0.5375  v =  0.0178  0.1616  0.0002 -0.0484 -0.0572  0.0083 -0.4453 -0.0013 -0.0325  0.0775      0.0000 -0.0524  0.0029 -0.1734 -0.6731 -0.0026  0.0370 -0.0015 -0.4602  0.2520
  o =  0.5384  v =  0.0076 -0.4421  0.0010  0.1260 -0.0166 -0.0192 -0.1825 -0.0007 -0.0035 -0.1759      0.0000  0.1189 -0.0026  0.4340 -0.2599  0.0047  0.0116  0.0002 -0.1719 -0.6511
  o =  0.5945  v = -0.5595 -0.0130  0.0258  0.0210 -0.0010 -0.6729  0.0033 -0.1772  0.0021  0.0239      0.0000 -0.0015  0.2103  0.0204 -0.0350  0.3862  0.0033 -0.0587  0.0267  0.0413
  o =  0.5950  v =  0.7936 -0.0221 -0.0880  0.0045  0.0012 -0.4960 -0.0252  0.0342 -0.0047  0.0180      0.0000  0.0091  0.0955  0.0028  0.0481  0.2786 -0.0059  0.1526 -0.0160  0.0318
  o =  0.5960  v = -0.1779 -0.0197 -0.7630 -0.0132 -0.0006 -0.0144  0.0263  0.2697 -0.0435  0.0124      0.0000  0.0183 -0.4136 -0.0179 -0.0109  0.1680 -0.0430  0.3279 -0.0210  0.0008
  o =  0.5973  v = -0.1425 -0.0387  0.3599 -0.0345  0.0007 -0.1022 -0.0094  0.5504  0.0192 -0.0110      0.0000  0.0264  0.2217 -0.0340 -0.0094 -0.1745  0.0182  0.6718  0.0158  0.0066
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5939  0.0000 -0.0001 -0.0002  0.0000     -0.0000  0.0001 -0.0004 -0.0000  0.0046
  0.0000  0.5227 -0.0000  0.0000 -0.0001     -0.0001 -0.0000  0.0000 -0.0042 -0.0002
 -0.0001 -0.0000  0.5953 -0.0000 -0.0001      0.0004 -0.0000 -0.0000  0.0000 -0.0001
 -0.0002  0.0000 -0.0000  0.5226  0.0001      0.0000  0.0042 -0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.0001  0.5266     -0.0046  0.0002  0.0001 -0.0000 -0.0000
 
spin component  2
 
 -0.0002  0.0024  0.0005  0.0001  0.0001      0.0005  0.0000 -0.0002 -0.0022  0.0001
 -0.0022  0.0000  0.0000  0.0000  0.0001      0.0001 -0.0001 -0.0045  0.0001  0.0089
  0.0002 -0.0001 -0.0004 -0.0045 -0.0000      0.0004  0.0045 -0.0003  0.0001 -0.0000
 -0.0001  0.0000  0.0044  0.0002  0.0089      0.0023  0.0001 -0.0001 -0.0001  0.0001
  0.0001 -0.0001  0.0000 -0.0087  0.0000     -0.0000 -0.0089  0.0001  0.0001 -0.0001
 
spin component  3
 
 -0.0002 -0.0022  0.0002 -0.0001  0.0001     -0.0005 -0.0001 -0.0004 -0.0023  0.0000
  0.0024  0.0000 -0.0001  0.0000 -0.0001     -0.0000  0.0001 -0.0045 -0.0001  0.0089
  0.0005  0.0000 -0.0004  0.0044  0.0000      0.0002  0.0045  0.0003  0.0001 -0.0001
  0.0001  0.0000 -0.0045  0.0002 -0.0087      0.0022 -0.0001 -0.0001  0.0001 -0.0001
  0.0001  0.0001 -0.0000  0.0089  0.0000     -0.0001 -0.0089  0.0000 -0.0001  0.0001
 
spin component  4
 
  0.5941 -0.0001 -0.0000  0.0001 -0.0000     -0.0000 -0.0001  0.0003 -0.0000 -0.0046
 -0.0001  0.5230  0.0001 -0.0002  0.0000      0.0001 -0.0000 -0.0001  0.0042 -0.0001
 -0.0000  0.0001  0.5955 -0.0000  0.0001     -0.0003  0.0001  0.0000  0.0000  0.0001
  0.0001 -0.0002 -0.0000  0.5230 -0.0001      0.0000 -0.0042 -0.0000 -0.0000  0.0001
 -0.0000  0.0000  0.0001 -0.0001  0.5269      0.0046  0.0001 -0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5138  v = -0.0633  0.1921  0.0057  0.0821 -0.0027 -0.0258 -0.4560  0.0013 -0.0388  0.1214      0.0000  0.0877 -0.0009 -0.1494  0.6602 -0.0116 -0.0428  0.0023 -0.4473 -0.2441
  o =  0.5141  v =  0.0264  0.4167 -0.0005  0.1808 -0.0039 -0.0573  0.1780 -0.0008  0.0065  0.2829      0.0000  0.2081 -0.0013 -0.4164 -0.2723 -0.0271  0.0001  0.0011  0.2053 -0.5867
  o =  0.5179  v =  0.0038  0.4849  0.0050  0.5167 -0.0108 -0.0013 -0.0070  0.0589 -0.0310  0.0125      0.0000 -0.4931 -0.0012  0.4926 -0.0228 -0.0004 -0.0533  0.0568  0.0252  0.0025
  o =  0.5182  v =  0.0030 -0.0368  0.0762 -0.0435 -0.0130  0.0012 -0.1968 -0.0028 -0.6578 -0.0166      0.0000  0.0188 -0.0258 -0.0308 -0.0370  0.0010 -0.6749 -0.0036  0.2448  0.0167
  o =  0.5392  v = -0.0108  0.3656  0.0003 -0.2031  0.0613  0.0131  0.2773  0.0002  0.0475  0.2848      0.0000 -0.2113  0.0003 -0.3607  0.3787 -0.0070 -0.0415  0.0001  0.2707  0.5172
  o =  0.5396  v =  0.0131  0.2657  0.0001 -0.0817  0.0373  0.0092 -0.4223 -0.0002  0.0310  0.1092      0.0000 -0.0739 -0.0015 -0.2650 -0.5792  0.0010 -0.0233 -0.0017 -0.4263  0.3694
  o =  0.5938  v = -0.8025  0.0026  0.0864 -0.0115 -0.0000 -0.2234  0.0238  0.0094  0.0048 -0.0329      0.0000 -0.0141 -0.0761  0.0138 -0.0504 -0.5168  0.0064 -0.1429  0.0161  0.0134
  o =  0.5945  v = -0.4602  0.0222 -0.1529  0.0141 -0.0007  0.3535  0.0347  0.0764 -0.0073  0.0392      0.0000  0.0229 -0.3826  0.0061 -0.0258  0.6565 -0.0102 -0.2264 -0.0086 -0.0229
  o =  0.5956  v =  0.3013  0.0348  0.3737  0.0149 -0.0004  0.0521  0.0237 -0.3375  0.0217 -0.0116      0.0000 -0.0238 -0.5305  0.0321  0.0187 -0.1975  0.0205 -0.5710 -0.0377 -0.0041
  o =  0.5967  v = -0.2200 -0.0080  0.5158  0.0443  0.0002  0.1474 -0.0158 -0.6560  0.0294  0.0139      0.0000 -0.0316  0.3511 -0.0159 -0.0130  0.2418  0.0290  0.2130  0.0260 -0.0100
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5939  0.0000 -0.0000 -0.0001  0.0001      0.0000  0.0001 -0.0001  0.0000  0.0048
  0.0000  0.5235  0.0001 -0.0001  0.0001     -0.0001  0.0000  0.0000 -0.0029 -0.0000
 -0.0000  0.0001  0.5960 -0.0000  0.0000      0.0001 -0.0000 -0.0000 -0.0000 -0.0001
 -0.0001 -0.0001 -0.0000  0.5234 -0.0001     -0.0000  0.0029  0.0000 -0.0000 -0.0002
  0.0001  0.0001  0.0000 -0.0001  0.5274     -0.0048  0.0000  0.0001  0.0002 -0.0000
 
spin component  2
 
  0.0002  0.0024  0.0002  0.0002 -0.0001     -0.0002 -0.0001 -0.0002 -0.0023  0.0000
 -0.0020  0.0002  0.0001 -0.0001  0.0000     -0.0001 -0.0000 -0.0048  0.0001  0.0084
 -0.0002  0.0001 -0.0003 -0.0044 -0.0000     -0.0003  0.0042 -0.0000  0.0001  0.0000
  0.0002 -0.0001  0.0044  0.0002  0.0083      0.0019 -0.0001 -0.0000  0.0001 -0.0000
 -0.0001  0.0001 -0.0000 -0.0080  0.0000     -0.0002 -0.0080 -0.0000  0.0000  0.0002
 
spin component  3
 
  0.0002 -0.0020 -0.0002  0.0002 -0.0001      0.0002  0.0001  0.0003 -0.0019  0.0002
  0.0024  0.0002  0.0001 -0.0001  0.0001      0.0001  0.0000 -0.0042  0.0001  0.0080
  0.0002  0.0001 -0.0003  0.0044 -0.0000      0.0002  0.0048  0.0000  0.0000  0.0000
  0.0002 -0.0001 -0.0044  0.0002 -0.0080      0.0023 -0.0001 -0.0001 -0.0001 -0.0000
 -0.0001  0.0000 -0.0000  0.0083  0.0000     -0.0000 -0.0084 -0.0000  0.0000 -0.0002
 
spin component  4
 
  0.5941  0.0001 -0.0002  0.0000  0.0001      0.0000 -0.0001  0.0003  0.0001 -0.0044
  0.0001  0.5233 -0.0001 -0.0003 -0.0000      0.0001  0.0000 -0.0001  0.0046 -0.0000
 -0.0002 -0.0001  0.5950  0.0000 -0.0000     -0.0003  0.0001 -0.0000 -0.0000  0.0001
  0.0000 -0.0003  0.0000  0.5231 -0.0001     -0.0001 -0.0046  0.0000 -0.0000 -0.0001
  0.0001 -0.0000 -0.0000 -0.0001  0.5271      0.0044  0.0000 -0.0001  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.5150  v =  0.0239 -0.0994 -0.0002  0.4657 -0.0150  0.0107  0.1934  0.0015  0.0167  0.6388      0.0000  0.4629  0.0033  0.0847 -0.2511 -0.0641 -0.0071  0.0001  0.1501  0.1238
  o =  0.5155  v = -0.0628 -0.0178  0.0071  0.1931 -0.0092  0.0068 -0.4598  0.0019 -0.0453  0.2330      0.0000  0.1501 -0.0023  0.0834  0.6639 -0.0224 -0.0592  0.0040 -0.4606  0.0638
  o =  0.5181  v = -0.0082  0.0320 -0.0830 -0.0027 -0.0068 -0.0009 -0.0675 -0.0033  0.7097  0.0199      0.0000  0.0264 -0.0051  0.0055  0.0573 -0.0016  0.6922  0.0025  0.0070 -0.0117
  o =  0.5201  v =  0.0048  0.4886  0.0002  0.5062 -0.0197 -0.0028  0.0041  0.0572  0.0019 -0.0124      0.0000 -0.5132 -0.0019  0.4805 -0.0372 -0.0004 -0.0036  0.0563  0.0494 -0.0041
  o =  0.5380  v = -0.0062  0.1764 -0.0000  0.4483  0.0470  0.0050  0.0845  0.0003  0.0364 -0.6559      0.0000  0.4559  0.0001 -0.1777  0.1098  0.0140 -0.0376 -0.0008  0.0763  0.2610
  o =  0.5394  v =  0.0238 -0.0054 -0.0013  0.0890 -0.0388  0.0018 -0.4999  0.0002 -0.0193 -0.1256      0.0000  0.0794 -0.0033 -0.0059 -0.6861  0.0026  0.0338 -0.0019 -0.4957  0.0029
  o =  0.5941  v = -0.8063 -0.0009 -0.0487  0.0126 -0.0014  0.2736  0.0199  0.0352 -0.0060  0.0303      0.0000  0.0141 -0.0312 -0.0150 -0.0534  0.4911 -0.0037  0.1545  0.0153 -0.0179
  o =  0.5946  v = -0.5294 -0.0135  0.0245  0.0007  0.0003 -0.2790  0.0097 -0.3535  0.0005 -0.0414      0.0000 -0.0405  0.0169  0.0006 -0.0345 -0.7103 -0.0004  0.0794  0.0114  0.0142
  o =  0.5956  v =  0.2420 -0.0276 -0.2181  0.0391  0.0004  0.2598 -0.0184 -0.6270 -0.0116  0.0050      0.0000 -0.0314  0.2089 -0.0431  0.0154  0.0962 -0.0150  0.6114  0.0078 -0.0155
  o =  0.5967  v = -0.0759  0.0098 -0.3459 -0.0039  0.0008 -0.1340 -0.0530  0.0957 -0.0198  0.0025      0.0000  0.0070  0.8820  0.0178 -0.0048  0.0427 -0.0204 -0.2469  0.0511  0.0074
     EDDAV:  cpu time   72.9600: real time   73.7251
       DOS:  cpu time    0.0475: real time    0.0477
    CHARGE:  cpu time    1.1687: real time    1.1803
    MIXING:  cpu time    0.0309: real time    0.0311
    --------------------------------------------
      LOOP:  cpu time   75.1195: real time   75.9043

 eigenvalue-minimisations  : 12992
 total energy-change (2. order) : 0.9361311E+01  (-0.7535402E+01)
 number of electron    1039.9999673 magnetization       0.0110266     -0.0008927     -0.0045749
 augmentation part       28.5875772 magnetization       0.0030077     -0.0005313     -0.0053966

 Broyden mixing:
  rms(total) = 0.64805E+01    rms(broyden)= 0.64805E+01
  rms(prec ) = 0.68773E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7453
  1.4518  0.3921  0.3921

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17327.63704371
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2460.43667019
  PAW double counting   =     78357.94529229   -77149.06436324
  entropy T*S    EENTRO =        -0.40356494
  eigenvalues    EBANDS =     -6223.89243362
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1090.09020441 eV

  energy without entropy =    -1089.68663947  energy(sigma->0) =    -1089.95568277


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.4766: real time    0.4819
    SETDIJ:  cpu time    0.4486: real time    0.4508
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5975  0.0000 -0.0000  0.0001 -0.0001     -0.0000  0.0000  0.0001 -0.0001  0.0155
  0.0000  0.5231 -0.0000 -0.0002 -0.0002     -0.0000 -0.0000  0.0000  0.0362 -0.0006
 -0.0000 -0.0000  0.5993  0.0000 -0.0000     -0.0001 -0.0000  0.0000  0.0000 -0.0000
  0.0001 -0.0002  0.0000  0.5231 -0.0004      0.0001 -0.0362 -0.0000  0.0000  0.0004
 -0.0001 -0.0002 -0.0000 -0.0004  0.5348     -0.0155  0.0006  0.0000 -0.0004 -0.0000
 
spin component  2
 
  0.0002  0.0077 -0.0002 -0.0000  0.0001      0.0002 -0.0000 -0.0001 -0.0077 -0.0000
 -0.0079  0.0015 -0.0001  0.0000 -0.0000      0.0000  0.0009 -0.0130 -0.0001 -0.0452
 -0.0000  0.0000  0.0001 -0.0128 -0.0000     -0.0002  0.0128 -0.0001 -0.0001  0.0000
  0.0000 -0.0001  0.0129  0.0014 -0.0449      0.0078 -0.0002  0.0000  0.0011  0.0001
  0.0001 -0.0001 -0.0000  0.0453  0.0016      0.0000  0.0455 -0.0000 -0.0001  0.0011
 
spin component  3
 
  0.0002 -0.0079 -0.0000  0.0000  0.0001     -0.0002 -0.0000  0.0002 -0.0078 -0.0000
  0.0077  0.0015  0.0000 -0.0001 -0.0001      0.0000 -0.0009 -0.0128  0.0002 -0.0455
 -0.0002 -0.0001  0.0001  0.0129 -0.0000      0.0001  0.0130  0.0001 -0.0000  0.0000
 -0.0000  0.0000 -0.0128  0.0014  0.0453      0.0077  0.0001  0.0001 -0.0011  0.0001
  0.0001 -0.0000 -0.0000 -0.0449  0.0016      0.0000  0.0452 -0.0000 -0.0001 -0.0011
 
spin component  4
 
  0.5976  0.0000 -0.0001 -0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0156
  0.0000  0.5292 -0.0001 -0.0001  0.0001     -0.0001  0.0000 -0.0000 -0.0379 -0.0006
 -0.0001 -0.0001  0.5999 -0.0001 -0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0001 -0.0001 -0.0001  0.5291  0.0004      0.0000  0.0379 -0.0000 -0.0000  0.0005
  0.0000  0.0001 -0.0001  0.0004  0.5403      0.0156  0.0006 -0.0000 -0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4439  v = -0.0006 -0.3350  0.0010  0.4549  0.0690  0.0017  0.1442  0.0002  0.0607 -0.4306      0.0000  0.4551 -0.0001  0.3321  0.1522 -0.0016 -0.0723 -0.0008  0.1449 -0.3152
  o =  0.4458  v =  0.0003  0.0207  0.0003 -0.1663  0.4380 -0.0004  0.3434  0.0005  0.4357  0.1494      0.0000 -0.1633  0.0002 -0.0320  0.3439  0.0014 -0.4329 -0.0007  0.3407  0.0234
  o =  0.5523  v = -0.0328  0.5789 -0.0013 -0.3108  0.0046  0.0019 -0.0193 -0.1661  0.0014  0.0008      0.0000  0.3104  0.0031  0.5823  0.0678  0.0003  0.0037  0.3129 -0.0352  0.0038
  o =  0.5587  v =  0.0064  0.0262  0.1564  0.0250 -0.0001 -0.0257 -0.5853 -0.0059 -0.2456  0.0753      0.0000  0.0334 -0.3773 -0.0120 -0.0101 -0.0429 -0.2468  0.0054  0.5968 -0.0473
  o =  0.5677  v =  0.4963 -0.0715 -0.0208  0.0342  0.0059  0.1736  0.3187 -0.0178  0.0237  0.1208      0.0000  0.0842 -0.0045  0.1523 -0.6332 -0.0857  0.0301  0.0304  0.3254  0.2313
  o =  0.5706  v =  0.2179  0.2764  0.0474 -0.1511 -0.0068 -0.4648  0.1519 -0.0099 -0.0525 -0.3036      0.0000 -0.1318  0.0262 -0.2386 -0.2470  0.2597 -0.0587  0.0151  0.0906 -0.5491
  o =  0.6068  v = -0.1246 -0.2331 -0.0415  0.0931  0.0016 -0.0164  0.0500 -0.3433 -0.0150  0.0002      0.0000 -0.0916 -0.0649 -0.2256 -0.0565  0.0001 -0.0133  0.8556  0.0031  0.0071
  o =  0.6075  v =  0.0643 -0.0092  0.1075 -0.0432 -0.0028 -0.0780  0.2660  0.0696  0.0345 -0.0575      0.0000 -0.0083 -0.8883  0.0223  0.0326 -0.1141  0.0333 -0.0306 -0.2984  0.0367
  o =  0.6098  v =  0.7870  0.0106 -0.0584 -0.0244 -0.0018  0.2038 -0.2251 -0.0486 -0.0209 -0.0891      0.0000 -0.0630  0.0576 -0.0886  0.4074 -0.1804 -0.0226  0.1169 -0.1886 -0.1010
  o =  0.6110  v =  0.2571 -0.1669  0.1278  0.1536  0.0015 -0.5525 -0.0854 -0.0135  0.0526  0.3085      0.0000  0.1395  0.0106  0.1399  0.1579  0.5271  0.0529  0.0328 -0.0708  0.3235
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5975  0.0000  0.0000 -0.0000 -0.0000     -0.0000 -0.0000  0.0002  0.0000  0.0189
  0.0000  0.5396 -0.0000 -0.0000  0.0002      0.0000 -0.0000  0.0001  0.0718  0.0007
  0.0000 -0.0000  0.5993 -0.0001 -0.0000     -0.0002 -0.0001 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0001  0.5396  0.0003     -0.0000 -0.0718  0.0000  0.0000 -0.0001
 -0.0000  0.0002 -0.0000  0.0003  0.5514     -0.0189 -0.0007  0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000  0.0000  0.0000     -0.0001 -0.0001  0.0001 -0.0092  0.0001
 -0.0094 -0.0027 -0.0000  0.0001  0.0000     -0.0000 -0.0009 -0.0161  0.0001 -0.0794
 -0.0001 -0.0000 -0.0002 -0.0158  0.0000     -0.0000  0.0158  0.0003 -0.0000  0.0000
  0.0000  0.0002  0.0163 -0.0025 -0.0799      0.0095  0.0002 -0.0000 -0.0005  0.0001
 -0.0000  0.0000 -0.0000  0.0796 -0.0026      0.0001  0.0792  0.0000  0.0000 -0.0006
 
spin component  3
 
 -0.0001 -0.0094 -0.0001  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0095 -0.0001
  0.0094 -0.0027 -0.0000  0.0002  0.0000      0.0001  0.0009 -0.0158 -0.0002 -0.0792
  0.0000 -0.0000 -0.0002  0.0163 -0.0000     -0.0001  0.0161 -0.0003  0.0000 -0.0000
  0.0000  0.0001 -0.0158 -0.0025  0.0796      0.0092 -0.0001  0.0000  0.0005 -0.0000
  0.0000  0.0000  0.0000 -0.0799 -0.0026     -0.0001  0.0794 -0.0000 -0.0001  0.0006
 
spin component  4
 
  0.5978 -0.0000 -0.0001  0.0001  0.0000      0.0000 -0.0000  0.0002  0.0000 -0.0190
 -0.0000  0.5492  0.0000 -0.0002 -0.0001      0.0000  0.0000  0.0000 -0.0738  0.0007
 -0.0001  0.0000  0.5998  0.0001  0.0000     -0.0002 -0.0000  0.0000 -0.0000  0.0000
  0.0001 -0.0002  0.0001  0.5488 -0.0001     -0.0000  0.0738  0.0000 -0.0000 -0.0002
  0.0000 -0.0001  0.0000 -0.0001  0.5591      0.0190 -0.0007 -0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3920  v =  0.0004 -0.4645 -0.0005  0.3169 -0.0601  0.0012 -0.1562  0.0001 -0.0540 -0.3026      0.0000  0.3173  0.0001  0.4621 -0.1601 -0.0005  0.0619 -0.0001 -0.1496 -0.4419
  o =  0.3946  v = -0.0007 -0.1651  0.0001 -0.0087 -0.1505  0.0007  0.5273 -0.0004 -0.1487  0.0055      0.0000 -0.0032 -0.0007  0.1753  0.5365 -0.0004  0.1496  0.0004  0.5331 -0.1571
  o =  0.5823  v = -0.1193 -0.4377 -0.0815  0.0602  0.0033  0.0820 -0.0621  0.1037  0.0355  0.0051      0.0000 -0.0554 -0.0724 -0.4024  0.0695 -0.0101  0.0378 -0.7638  0.0002  0.0368
  o =  0.5852  v =  0.1831  0.0061 -0.3874 -0.0096  0.0023  0.2160 -0.2685 -0.0407  0.1673  0.0289      0.0000  0.0351 -0.6984  0.0913 -0.0739 -0.0654  0.1701  0.0789  0.3392  0.0986
  o =  0.5859  v =  0.8154 -0.0016  0.0563  0.0135  0.0010 -0.3129  0.1981  0.0284 -0.0257  0.0051      0.0000 -0.0096  0.0480 -0.1338 -0.3320 -0.0202 -0.0239 -0.1495  0.1428 -0.1374
  o =  0.5869  v = -0.2940  0.1448 -0.0540  0.0172  0.0039 -0.8050 -0.1603 -0.0062  0.0189  0.0342      0.0000  0.0160 -0.2638 -0.1532  0.1095 -0.0844  0.0245 -0.0013  0.0509 -0.3138
  o =  0.6285  v = -0.0629  0.5428 -0.0181 -0.1512  0.0020  0.0115  0.0389  0.1635 -0.0200 -0.0047      0.0000  0.1466 -0.0036  0.5258 -0.0722 -0.0005 -0.0187 -0.5874  0.0236 -0.0166
  o =  0.6366  v =  0.0277 -0.0513 -0.0296 -0.0409  0.0021 -0.0862 -0.6084  0.0227 -0.0342 -0.0431      0.0000  0.0032  0.5134  0.0595  0.0336 -0.0287 -0.0340 -0.0057  0.5713  0.1272
  o =  0.6430  v =  0.3924 -0.1021 -0.0201  0.0251  0.0009 -0.2083 -0.2428  0.0095 -0.0262  0.0797      0.0000  0.0528 -0.0574  0.2248  0.6270  0.0500 -0.0254 -0.0464 -0.3966  0.3359
  o =  0.6472  v = -0.2057 -0.3218 -0.0337  0.0745  0.0003 -0.3579  0.2524 -0.0039 -0.0486  0.1413      0.0000  0.0595 -0.0518  0.2796 -0.3582  0.0797 -0.0480  0.0130  0.1060  0.6328
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5979 -0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0001 -0.0000  0.0177
 -0.0000  0.5379 -0.0000 -0.0002  0.0002      0.0000 -0.0000 -0.0001  0.0549 -0.0003
 -0.0001 -0.0000  0.5997 -0.0000  0.0001     -0.0001  0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5382 -0.0001      0.0000 -0.0549 -0.0000 -0.0000 -0.0000
  0.0000  0.0002  0.0001 -0.0001  0.5497     -0.0177  0.0003  0.0000  0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0088  0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0001 -0.0088  0.0000
 -0.0087  0.0008  0.0000  0.0001 -0.0001     -0.0000  0.0000 -0.0146  0.0001 -0.0667
 -0.0001  0.0001 -0.0001 -0.0148  0.0000      0.0001  0.0148 -0.0000 -0.0000 -0.0000
  0.0001 -0.0001  0.0146  0.0005 -0.0665      0.0088  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.0664  0.0009     -0.0000  0.0665  0.0000 -0.0000  0.0002
 
spin component  3
 
  0.0000 -0.0087 -0.0001  0.0001  0.0000     -0.0000  0.0000 -0.0001 -0.0088  0.0000
  0.0088  0.0008  0.0001 -0.0001 -0.0000      0.0000 -0.0000 -0.0148 -0.0001 -0.0665
  0.0001  0.0000 -0.0001  0.0146  0.0000     -0.0001  0.0146  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0148  0.0005  0.0664      0.0088 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000 -0.0665  0.0009     -0.0000  0.0667  0.0000  0.0000 -0.0002
 
spin component  4
 
  0.5974  0.0000 -0.0001 -0.0001 -0.0001     -0.0000 -0.0000  0.0001 -0.0000 -0.0176
  0.0000  0.5354 -0.0001 -0.0001 -0.0003      0.0000  0.0000 -0.0001 -0.0545 -0.0003
 -0.0001 -0.0001  0.5995  0.0000 -0.0000     -0.0001  0.0001  0.0000  0.0000  0.0000
 -0.0001 -0.0001  0.0000  0.5352  0.0000      0.0000  0.0545 -0.0000  0.0000  0.0001
 -0.0001 -0.0003 -0.0000  0.0000  0.5465      0.0176  0.0003 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4149  v =  0.0002  0.1402  0.0001 -0.0705 -0.5216  0.0002 -0.1810  0.0001 -0.5269  0.0748      0.0000 -0.0737  0.0001 -0.1387 -0.1786 -0.0003  0.5275  0.0004 -0.1794  0.1427
  o =  0.4157  v = -0.0004 -0.2581 -0.0003 -0.4884  0.0483 -0.0003 -0.1495  0.0001  0.0523  0.4960      0.0000 -0.4890  0.0001  0.2574 -0.1485 -0.0008 -0.0504  0.0001 -0.1524 -0.2613
  o =  0.5735  v =  0.0138 -0.0030  0.3388 -0.0379  0.0006 -0.0167 -0.4592 -0.0447 -0.3043  0.0034      0.0000  0.0381 -0.5150 -0.0170 -0.0072  0.0036 -0.3042 -0.0164  0.4666 -0.0158
  o =  0.5751  v =  0.0101 -0.5332 -0.0423  0.0517  0.0033  0.0043 -0.0085  0.0654  0.0357 -0.0038      0.0000 -0.0546 -0.0199 -0.5328 -0.0131  0.0014  0.0392 -0.6451  0.0182  0.0018
  o =  0.5826  v = -0.2226  0.2102 -0.0012 -0.0696 -0.0008 -0.7525 -0.0578 -0.0061  0.0044 -0.1381      0.0000 -0.0712  0.0162 -0.2191  0.1308  0.2442  0.0045 -0.0051 -0.0731 -0.4209
  o =  0.5835  v =  0.8002  0.0619 -0.0046 -0.0198 -0.0002 -0.2185  0.2251  0.0029  0.0060 -0.0372      0.0000 -0.0181  0.0153 -0.0536 -0.4367  0.0718  0.0059  0.0167  0.2063 -0.1156
  o =  0.6160  v = -0.0051  0.0319 -0.2652 -0.0068 -0.0009  0.0181 -0.4080  0.0140 -0.1464  0.0012      0.0000  0.0061  0.7379  0.0208 -0.0046  0.0052 -0.1481 -0.0485  0.4132 -0.0126
  o =  0.6173  v =  0.0215  0.4489 -0.0066  0.0946  0.0038  0.0003  0.0237 -0.1567 -0.0052 -0.0014      0.0000 -0.0967 -0.0470  0.4487  0.0135  0.0046 -0.0016 -0.7413 -0.0349 -0.0011
  o =  0.6286  v =  0.1961  0.2923 -0.0023 -0.1173  0.0004  0.4993 -0.1023 -0.0002 -0.0044 -0.2262      0.0000 -0.1123 -0.0102 -0.3024  0.2286 -0.1917 -0.0028  0.0072 -0.1253 -0.5852
  o =  0.6303  v = -0.5204  0.1235  0.0030 -0.0406  0.0001  0.1736  0.3250  0.0005 -0.0007 -0.0837      0.0000 -0.0435 -0.0105 -0.0953 -0.6411 -0.0660  0.0004 -0.0126  0.3085 -0.2183
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5977 -0.0000 -0.0001  0.0001  0.0000      0.0000 -0.0000 -0.0001  0.0000  0.0167
 -0.0000  0.5373  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0001  0.0466 -0.0002
 -0.0001  0.0000  0.6000 -0.0001 -0.0001      0.0001  0.0001 -0.0000 -0.0000 -0.0000
  0.0001 -0.0001 -0.0001  0.5368 -0.0002     -0.0000 -0.0466  0.0000  0.0000 -0.0003
  0.0000  0.0001 -0.0001 -0.0002  0.5481     -0.0167  0.0002  0.0000  0.0003  0.0000
 
spin component  2
 
 -0.0003  0.0085  0.0002 -0.0001 -0.0000      0.0002 -0.0000 -0.0000 -0.0084 -0.0000
 -0.0082  0.0005 -0.0001  0.0001  0.0001     -0.0000 -0.0008 -0.0137  0.0000 -0.0573
  0.0002 -0.0001 -0.0001 -0.0140 -0.0000     -0.0002  0.0140 -0.0000 -0.0001 -0.0001
 -0.0001  0.0002  0.0137  0.0003 -0.0574      0.0082 -0.0000  0.0000 -0.0009  0.0001
 -0.0001  0.0001 -0.0000  0.0571  0.0004     -0.0000  0.0567  0.0000  0.0001 -0.0012
 
spin component  3
 
 -0.0003 -0.0082  0.0002 -0.0001 -0.0001     -0.0002  0.0000  0.0002 -0.0082  0.0000
  0.0085  0.0005 -0.0001  0.0002  0.0001      0.0000  0.0008 -0.0140  0.0000 -0.0567
  0.0002 -0.0001 -0.0001  0.0137 -0.0000      0.0000  0.0137  0.0000 -0.0000 -0.0000
 -0.0001  0.0001 -0.0140  0.0003  0.0571      0.0084 -0.0000  0.0001  0.0009 -0.0001
 -0.0000  0.0001 -0.0000 -0.0574  0.0004      0.0000  0.0573  0.0001 -0.0001  0.0012
 
spin component  4
 
  0.5973 -0.0000  0.0001 -0.0000  0.0001     -0.0000 -0.0000  0.0001  0.0000 -0.0165
 -0.0000  0.5261 -0.0001 -0.0002  0.0001      0.0000  0.0000 -0.0000 -0.0434 -0.0002
  0.0001 -0.0001  0.5996 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000  0.0001
 -0.0000 -0.0002 -0.0000  0.5261  0.0002     -0.0000  0.0434  0.0000 -0.0000 -0.0005
  0.0001  0.0001 -0.0000  0.0002  0.5384      0.0165  0.0002 -0.0001  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4279  v =  0.0014 -0.0530  0.0005 -0.0586  0.0772 -0.0003  0.5746  0.0001  0.0812  0.0606      0.0000 -0.0535  0.0000  0.0517  0.5490 -0.0003 -0.0799 -0.0001  0.5752 -0.0565
  o =  0.4306  v = -0.0003 -0.5220 -0.0003 -0.2050 -0.0402 -0.0022 -0.0676  0.0002 -0.0425  0.2152      0.0000 -0.2032  0.0001  0.5242 -0.0619 -0.0001  0.0481  0.0002 -0.0671 -0.5517
  o =  0.5600  v =  0.0038 -0.0151 -0.3483 -0.0016 -0.0024  0.0196  0.3832 -0.0021  0.5097  0.0035      0.0000  0.0029  0.2628  0.0061 -0.0040 -0.0029  0.5077 -0.0021 -0.3793  0.0259
  o =  0.5702  v = -0.0386  0.3316 -0.0002  0.4802  0.0001 -0.0049 -0.0119  0.4635  0.0026 -0.0027      0.0000 -0.4863  0.0057  0.3274  0.0376  0.0072  0.0034  0.3122 -0.0191 -0.0031
  o =  0.5773  v =  0.1841 -0.0938  0.0173 -0.2668 -0.0034  0.2475  0.0823  0.0018 -0.0144 -0.5047      0.0000 -0.2695  0.0118  0.1104 -0.1448  0.6451 -0.0172  0.0051  0.0574  0.1930
  o =  0.5800  v =  0.7270  0.0429  0.0017  0.0927 -0.0005 -0.0638  0.2458  0.0309  0.0016  0.1280      0.0000  0.0394 -0.0032 -0.0090 -0.5271 -0.1778  0.0015  0.0189  0.2552 -0.0503
  o =  0.6094  v = -0.0067 -0.0126  0.7653 -0.0024  0.0034 -0.0329  0.1618  0.0050  0.2611  0.0038      0.0000  0.0057 -0.4713  0.0074 -0.0030  0.0031  0.2651  0.0103 -0.1598  0.0216
  o =  0.6129  v =  0.0405  0.2610  0.0086  0.3026  0.0014  0.0113 -0.0103 -0.6359  0.0021  0.0029      0.0000 -0.3017 -0.0082  0.2480  0.0336  0.0012  0.0045 -0.5290 -0.0187 -0.0120
  o =  0.6180  v = -0.1849 -0.0988 -0.0241 -0.2635  0.0048 -0.2553  0.0892 -0.0053 -0.0159 -0.5096      0.0000 -0.2729 -0.0214  0.1229 -0.1619 -0.6223 -0.0110 -0.0232  0.0675  0.2101
  o =  0.6211  v = -0.6326  0.0476  0.0044  0.0960 -0.0028  0.0748  0.2823 -0.0315  0.0028  0.1495      0.0000  0.0569  0.0117 -0.0185 -0.5996  0.1649  0.0000 -0.0230  0.2910 -0.0636
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5995  0.0000 -0.0002  0.0000  0.0000      0.0000 -0.0000  0.0001 -0.0000  0.0105
  0.0000  0.5137  0.0001  0.0001  0.0000      0.0000  0.0000  0.0000  0.0114  0.0001
 -0.0002  0.0001  0.6003  0.0000 -0.0002     -0.0001 -0.0000 -0.0000  0.0000  0.0000
  0.0000  0.0001  0.0000  0.5141 -0.0001      0.0000 -0.0114 -0.0000  0.0000  0.0001
  0.0000  0.0000 -0.0002 -0.0001  0.5153     -0.0105 -0.0001 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0053 -0.0002  0.0001  0.0000      0.0000 -0.0000  0.0002 -0.0054  0.0001
 -0.0050 -0.0001 -0.0000 -0.0001 -0.0005      0.0001 -0.0000 -0.0094  0.0000 -0.0055
  0.0000  0.0000 -0.0004 -0.0093 -0.0000     -0.0001  0.0093 -0.0004  0.0001 -0.0000
 -0.0001  0.0000  0.0094 -0.0002 -0.0054      0.0052  0.0000  0.0000 -0.0001 -0.0005
 -0.0000  0.0005 -0.0000  0.0058 -0.0002      0.0000  0.0058  0.0000  0.0005  0.0000
 
spin component  3
 
 -0.0002 -0.0050  0.0000 -0.0001 -0.0000     -0.0000 -0.0001  0.0001 -0.0052 -0.0000
  0.0053 -0.0001  0.0000  0.0000  0.0005      0.0000  0.0000 -0.0093 -0.0000 -0.0058
 -0.0002 -0.0000 -0.0004  0.0094 -0.0000     -0.0002  0.0094  0.0004 -0.0000 -0.0000
  0.0001 -0.0001 -0.0093 -0.0002  0.0058      0.0054 -0.0000 -0.0001  0.0001 -0.0005
  0.0000 -0.0005 -0.0000 -0.0054 -0.0002     -0.0001  0.0055  0.0000  0.0005 -0.0000
 
spin component  4
 
  0.5991  0.0001  0.0001  0.0001 -0.0001     -0.0000  0.0000  0.0002  0.0000 -0.0102
  0.0001  0.5123 -0.0000  0.0001  0.0000     -0.0000  0.0000  0.0000 -0.0093  0.0001
  0.0001 -0.0000  0.5999 -0.0000  0.0000     -0.0002 -0.0000  0.0000  0.0000  0.0001
  0.0001  0.0001 -0.0000  0.5122 -0.0001     -0.0000  0.0093 -0.0000 -0.0000 -0.0001
 -0.0001  0.0000  0.0000 -0.0001  0.5145      0.0102 -0.0001 -0.0001  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4983  v =  0.0020 -0.3841 -0.0004  0.4930  0.0121  0.0131  0.0478 -0.0014  0.0119 -0.3490      0.0000  0.5094 -0.0005  0.3881  0.0278 -0.0181 -0.0058 -0.0002  0.0478 -0.2669
  o =  0.4992  v = -0.0213 -0.0387  0.0014  0.0324 -0.0043  0.0018 -0.6387 -0.0001 -0.0137 -0.0161      0.0000  0.0330 -0.0000  0.0321 -0.4182 -0.0010 -0.0011 -0.0004 -0.6410 -0.0275
  o =  0.5166  v = -0.0712 -0.2735 -0.0246  0.1183 -0.0020  0.1246 -0.1543  0.0113  0.1067  0.1729      0.0000  0.0049 -0.0019  0.2365  0.4314 -0.0293  0.1142 -0.0038 -0.1292  0.7431
  o =  0.5170  v =  0.1252 -0.1563  0.0362  0.0770 -0.0037  0.0739  0.1934  0.0076 -0.1572  0.1204      0.0000 -0.0006 -0.0129  0.1425 -0.7463 -0.0196 -0.1553 -0.0023  0.2931  0.4275
  o =  0.5196  v =  0.0434  0.0292 -0.1532 -0.0007  0.0038 -0.0021  0.1861  0.0040  0.6550 -0.0427      0.0000 -0.0364  0.0258  0.0261 -0.2539  0.0074  0.6630  0.0077 -0.0379 -0.0039
  o =  0.5231  v = -0.0041  0.5149  0.0054  0.5004 -0.0011 -0.0112 -0.0156  0.1152 -0.0279  0.0700      0.0000 -0.4537 -0.0005  0.4888  0.0182 -0.0136 -0.0237  0.1224  0.0008 -0.0651
  o =  0.6008  v = -0.3065 -0.0826 -0.2096 -0.0173  0.0006 -0.7926  0.0059 -0.0535 -0.0257 -0.0446      0.0000 -0.0269  0.1016  0.0155 -0.0411 -0.3518 -0.0248  0.2700  0.0296  0.1009
  o =  0.6015  v = -0.8731  0.0040 -0.1639  0.0224  0.0003  0.3519  0.0490 -0.0859 -0.0172  0.0239      0.0000  0.0011  0.0192 -0.0381 -0.1121  0.1921 -0.0175  0.1387  0.0544 -0.0441
  o =  0.6019  v = -0.3400  0.0656  0.4559 -0.0572 -0.0012 -0.1811  0.0434  0.3831  0.0542 -0.0198      0.0000  0.0359 -0.2078  0.0878 -0.0443 -0.1732  0.0536 -0.6298 -0.0044  0.0240
  o =  0.6029  v = -0.0706 -0.0186  0.7355  0.0652 -0.0008 -0.0349 -0.0321 -0.5525  0.0851 -0.0026      0.0000 -0.0670  0.3168 -0.0156 -0.0101 -0.0143  0.0851  0.1429  0.0407  0.0024
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6000 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0102
 -0.0001  0.5123 -0.0000  0.0001 -0.0001      0.0000  0.0000  0.0001  0.0088  0.0004
 -0.0001 -0.0000  0.5998  0.0000 -0.0001      0.0000 -0.0001 -0.0000  0.0001 -0.0000
 -0.0000  0.0001  0.0000  0.5121 -0.0001     -0.0000 -0.0088 -0.0001 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001 -0.0001  0.5147     -0.0102 -0.0004  0.0000 -0.0000 -0.0000
 
spin component  2
 
 -0.0003  0.0053  0.0001  0.0001  0.0000      0.0005 -0.0000 -0.0002 -0.0051 -0.0001
 -0.0052 -0.0004  0.0000  0.0001 -0.0005      0.0000  0.0001 -0.0093 -0.0001 -0.0052
  0.0004  0.0000 -0.0003 -0.0092  0.0002      0.0001  0.0093  0.0001 -0.0001 -0.0000
 -0.0001 -0.0001  0.0094 -0.0003 -0.0052      0.0052 -0.0000 -0.0000  0.0002 -0.0004
 -0.0000  0.0004  0.0001  0.0051 -0.0002     -0.0000  0.0051  0.0000  0.0005  0.0000
 
spin component  3
 
 -0.0003 -0.0052  0.0004 -0.0001 -0.0000     -0.0005 -0.0000 -0.0001 -0.0052  0.0000
  0.0053 -0.0004  0.0000 -0.0001  0.0004      0.0000 -0.0001 -0.0093  0.0000 -0.0051
  0.0001  0.0000 -0.0003  0.0094  0.0001      0.0002  0.0093 -0.0001  0.0000 -0.0000
  0.0001  0.0001 -0.0092 -0.0003  0.0051      0.0051  0.0001  0.0001 -0.0002 -0.0005
  0.0000 -0.0005  0.0002 -0.0052 -0.0002      0.0001  0.0052  0.0000  0.0004 -0.0000
 
spin component  4
 
  0.5995  0.0001 -0.0002 -0.0000 -0.0000      0.0000  0.0000 -0.0001  0.0000 -0.0103
  0.0001  0.5131  0.0000  0.0002 -0.0000     -0.0000 -0.0000  0.0001 -0.0101  0.0003
 -0.0002  0.0000  0.6002 -0.0000 -0.0002      0.0001 -0.0001  0.0000  0.0001  0.0000
 -0.0000  0.0002 -0.0000  0.5130 -0.0000     -0.0000  0.0101 -0.0001 -0.0000  0.0003
 -0.0000 -0.0000 -0.0002 -0.0000  0.5147      0.0103 -0.0003 -0.0000 -0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4993  v =  0.0218 -0.1673 -0.0009 -0.0776  0.0034  0.0060  0.6073 -0.0007  0.0091  0.0606      0.0000 -0.0746 -0.0005  0.1837  0.4034  0.0018 -0.0055  0.0002  0.6140 -0.1176
  o =  0.4999  v =  0.0083  0.5954 -0.0004  0.1533  0.0317 -0.0214  0.1947  0.0001  0.0411 -0.0882      0.0000  0.1403 -0.0001 -0.5925  0.1188 -0.0058 -0.0283  0.0009  0.1876  0.3901
  o =  0.5159  v = -0.0903 -0.2800 -0.0073  0.1376  0.0056  0.1107 -0.2225  0.0231  0.0382  0.1358      0.0000 -0.0612 -0.0089  0.1540  0.5558 -0.0220  0.0292 -0.0138 -0.1399  0.6743
  o =  0.5165  v =  0.1106 -0.1065  0.0197  0.1860  0.0049  0.0844  0.1795  0.0301 -0.0894  0.1462      0.0000 -0.0887 -0.0105  0.2377 -0.6832 -0.0229 -0.0925  0.0168  0.2632  0.5117
  o =  0.5192  v = -0.0209  0.6230 -0.0116  0.3782  0.0026 -0.0229 -0.0270  0.0766  0.0439  0.1610      0.0000 -0.2876  0.0052  0.5408  0.1216 -0.0268  0.0566  0.1321 -0.0721 -0.1294
  o =  0.5210  v = -0.0226  0.0534  0.1617  0.0212  0.0009 -0.0116 -0.1022 -0.0010 -0.6804  0.0667      0.0000  0.0315 -0.0146  0.0028  0.1285 -0.0122 -0.6856  0.0058  0.0240 -0.0596
  o =  0.6010  v = -0.5214 -0.0085  0.1149 -0.0570 -0.0005 -0.4310  0.0458  0.1499  0.0157 -0.0840      0.0000 -0.0223 -0.1259  0.0425 -0.0660 -0.6653  0.0140 -0.1589  0.0168  0.0553
  o =  0.6018  v =  0.1616 -0.0696  0.6674 -0.0078  0.0002 -0.3120 -0.0616  0.0694  0.0785  0.0017      0.0000  0.0081  0.4500 -0.0320  0.0192  0.0158  0.0790  0.4445  0.0442  0.0387
  o =  0.6020  v =  0.6866  0.0312  0.2198  0.0173 -0.0018 -0.0945 -0.0127 -0.3534  0.0254 -0.0481      0.0000 -0.0644 -0.2376  0.0434  0.0844 -0.3933  0.0251 -0.3351 -0.0685  0.0120
  o =  0.6028  v = -0.4569  0.0332  0.4339  0.0869 -0.0015  0.2397  0.0330 -0.6785  0.0516  0.0234      0.0000 -0.0673 -0.0545  0.0056 -0.0568  0.1745  0.0520 -0.1646  0.0196 -0.0303
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5832  0.0001 -0.0000  0.0000 -0.0000     -0.0000  0.0001 -0.0002 -0.0001  0.0132
  0.0001  0.5445  0.0001  0.0001 -0.0001     -0.0001 -0.0000 -0.0002  0.0390  0.0003
 -0.0000  0.0001  0.5869  0.0001 -0.0000      0.0002  0.0002 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0001  0.5444  0.0006      0.0001 -0.0390  0.0000 -0.0000  0.0001
 -0.0000 -0.0001 -0.0000  0.0006  0.5524     -0.0132 -0.0003 -0.0000 -0.0001 -0.0000
 
spin component  2
 
  0.0002  0.0067 -0.0001 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0068  0.0001
 -0.0068  0.0013 -0.0000 -0.0001  0.0000     -0.0000 -0.0002 -0.0120  0.0006 -0.0318
 -0.0002  0.0001  0.0004 -0.0120 -0.0001      0.0001  0.0120  0.0001 -0.0001  0.0000
 -0.0000 -0.0001  0.0119  0.0026 -0.0318      0.0068  0.0006  0.0000 -0.0003  0.0000
  0.0000 -0.0000 -0.0002  0.0319  0.0009      0.0001  0.0318 -0.0001  0.0000 -0.0001
 
spin component  3
 
  0.0002 -0.0068 -0.0002 -0.0000  0.0000     -0.0001  0.0000 -0.0001 -0.0068 -0.0001
  0.0067  0.0013  0.0001 -0.0001 -0.0000     -0.0000  0.0002 -0.0120 -0.0006 -0.0318
 -0.0001 -0.0000  0.0004  0.0119 -0.0002      0.0000  0.0120 -0.0001 -0.0000  0.0001
 -0.0000 -0.0001 -0.0120  0.0026  0.0319      0.0068 -0.0006  0.0001  0.0003 -0.0000
  0.0001  0.0000 -0.0001 -0.0318  0.0009     -0.0001  0.0318 -0.0000 -0.0000  0.0001
 
spin component  4
 
  0.5833 -0.0001 -0.0002  0.0000 -0.0000      0.0000 -0.0000 -0.0002 -0.0000 -0.0131
 -0.0001  0.5445  0.0001 -0.0000  0.0001      0.0000  0.0000 -0.0001 -0.0389  0.0003
 -0.0002  0.0001  0.5867 -0.0001  0.0001      0.0002  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0001  0.5447 -0.0006      0.0000  0.0389  0.0000 -0.0000  0.0000
 -0.0000  0.0001  0.0001 -0.0006  0.5527      0.0131 -0.0003  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4774  v =  0.0097  0.4338 -0.0002 -0.0140  0.0261 -0.0105  0.4060 -0.0016  0.0304  0.0103      0.0000 -0.0094 -0.0003 -0.4525  0.3479 -0.0000 -0.0326 -0.0015  0.4249  0.3706
  o =  0.4790  v = -0.0089  0.4216 -0.0004  0.0207 -0.0009 -0.0082 -0.4480 -0.0002 -0.0017 -0.0171      0.0000  0.0189 -0.0007 -0.4028 -0.3819 -0.0000 -0.0015  0.0004 -0.4291  0.3578
  o =  0.5647  v = -0.5411  0.1661  0.0126  0.0293 -0.0020 -0.3533 -0.2571 -0.0313 -0.0110  0.1215      0.0000  0.0721 -0.0447 -0.1319  0.5234 -0.1276 -0.0137  0.0122 -0.1845 -0.3503
  o =  0.5656  v =  0.3874  0.1446  0.0215  0.0559 -0.0034 -0.5204  0.1174 -0.0134 -0.0162  0.1619      0.0000  0.0773 -0.0312 -0.2550 -0.3670 -0.1699 -0.0202 -0.0665  0.1763 -0.4926
  o =  0.5680  v = -0.0628 -0.4739 -0.1460  0.0496  0.0091 -0.0005  0.1411  0.0778  0.1104 -0.0318      0.0000 -0.0742  0.2259 -0.4716  0.0428  0.0289  0.1118 -0.6124 -0.1982  0.0121
  o =  0.5683  v =  0.0170  0.1707 -0.5594 -0.1016 -0.0123 -0.0314  0.2041 -0.1682  0.4406  0.0574      0.0000  0.1692  0.2491  0.1414 -0.0112 -0.0713  0.4355  0.1919 -0.1894 -0.0226
  o =  0.5978  v = -0.4639 -0.0128  0.0312 -0.1953 -0.0135 -0.0383  0.1659 -0.0015  0.0166 -0.4428      0.0000 -0.1946 -0.0101  0.0110 -0.3529 -0.5791  0.0108  0.0126  0.1462  0.0220
  o =  0.5979  v =  0.5801  0.0055  0.0206 -0.1743 -0.0093 -0.0123 -0.2023  0.0188  0.0100 -0.3539      0.0000 -0.1352  0.0087  0.0176  0.4430 -0.4626  0.0077 -0.0290 -0.1884  0.0216
  o =  0.6019  v =  0.0302 -0.2912  0.2593  0.2270 -0.0017  0.0087  0.2273 -0.3456  0.1774  0.0001      0.0000 -0.2206 -0.3768 -0.3083  0.0234 -0.0020  0.1657  0.4601 -0.2597 -0.0059
  o =  0.6025  v =  0.0111  0.0357 -0.5798  0.2726 -0.0037  0.0113  0.0248 -0.4616 -0.3613 -0.0228      0.0000 -0.3082 -0.0462  0.0317  0.0051 -0.0314 -0.3753 -0.0505 -0.0270 -0.0065
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5831 -0.0000 -0.0002  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0131
 -0.0000  0.5443 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000  0.0394 -0.0000
 -0.0002 -0.0000  0.5863 -0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5444 -0.0001     -0.0000 -0.0394  0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000 -0.0001  0.5514     -0.0131  0.0000 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0004  0.0066 -0.0000 -0.0000 -0.0000     -0.0002  0.0000 -0.0003 -0.0066 -0.0000
 -0.0068 -0.0003 -0.0001 -0.0000  0.0000     -0.0001 -0.0002 -0.0120 -0.0001 -0.0322
  0.0001  0.0000 -0.0002 -0.0121  0.0000     -0.0001  0.0121  0.0000  0.0000  0.0000
  0.0000 -0.0000  0.0120 -0.0005 -0.0323      0.0068 -0.0000  0.0000 -0.0001  0.0000
 -0.0000 -0.0000  0.0000  0.0316 -0.0002     -0.0001  0.0316  0.0001 -0.0000 -0.0001
 
spin component  3
 
 -0.0004 -0.0068  0.0001  0.0000 -0.0000      0.0002  0.0001  0.0001 -0.0068  0.0001
  0.0066 -0.0003  0.0000 -0.0000 -0.0000     -0.0000  0.0002 -0.0121  0.0000 -0.0316
 -0.0000 -0.0001 -0.0002  0.0120  0.0000      0.0003  0.0120 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0000 -0.0121 -0.0005  0.0316      0.0066  0.0001 -0.0000  0.0001  0.0000
 -0.0000  0.0000  0.0000 -0.0323 -0.0002      0.0000  0.0322 -0.0000 -0.0000  0.0001
 
spin component  4
 
  0.5833 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0001  0.0001 -0.0133
 -0.0000  0.5457  0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0394  0.0000
 -0.0001  0.0001  0.5870  0.0000 -0.0001      0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.5454  0.0001     -0.0001  0.0394  0.0000  0.0000  0.0001
 -0.0000  0.0000 -0.0001  0.0001  0.5537      0.0133 -0.0000  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4778  v =  0.0117 -0.1407  0.0003  0.0334  0.0241  0.0028  0.5818 -0.0007  0.0283 -0.0275      0.0000  0.0355 -0.0000  0.1458  0.5093 -0.0010 -0.0272  0.0001  0.5846 -0.1183
  o =  0.4784  v = -0.0024 -0.5590 -0.0002  0.1929 -0.0189  0.0110 -0.1442 -0.0002 -0.0190 -0.1615      0.0000  0.1928  0.0005  0.5575 -0.1269 -0.0036  0.0228 -0.0005 -0.1415 -0.4669
  o =  0.5650  v = -0.6421  0.0090 -0.0359 -0.0588 -0.0028 -0.0498 -0.2515  0.0119  0.0235 -0.1708      0.0000 -0.0805  0.0116 -0.0179  0.6105  0.1835  0.0202 -0.0007 -0.2687 -0.0366
  o =  0.5655  v = -0.1810 -0.0634  0.0168  0.2741  0.0078  0.1284 -0.0785  0.0406 -0.0122  0.6032      0.0000  0.2178 -0.0018  0.0396  0.1783 -0.6301 -0.0042 -0.0149 -0.0754  0.1251
  o =  0.5682  v = -0.0213  0.3093 -0.0142 -0.3920  0.0046 -0.0065  0.1013 -0.5232  0.0070  0.0372      0.0000  0.4208  0.1513  0.3055  0.0157 -0.0356  0.0090  0.3942 -0.1191 -0.0059
  o =  0.5686  v = -0.0281 -0.0316  0.5567 -0.1183  0.0067  0.0048 -0.2934 -0.1402 -0.4137 -0.0204      0.0000  0.1053 -0.3802 -0.0213  0.0324  0.0115 -0.4105 -0.0365  0.2640  0.0119
  o =  0.5976  v = -0.6631 -0.1111  0.0036  0.0250  0.0010 -0.3156  0.2309  0.0044 -0.0036  0.0629      0.0000  0.0289  0.0021  0.1053 -0.5077  0.0764 -0.0035 -0.0022  0.2255  0.2530
  o =  0.5982  v =  0.3372 -0.2136  0.0053  0.0574  0.0009 -0.6459 -0.0967 -0.0030  0.0042  0.1227      0.0000  0.0485 -0.0110  0.2143  0.2446  0.1602  0.0052  0.0021 -0.1251  0.4960
  o =  0.6025  v =  0.0071 -0.3444  0.0229 -0.2878 -0.0031 -0.0087 -0.1636  0.4465  0.0199  0.0001      0.0000  0.2885  0.2368 -0.3441  0.0033  0.0015  0.0139  0.5358  0.1623  0.0013
  o =  0.6026  v =  0.0077  0.1433 -0.5511 -0.0516 -0.0018 -0.0153 -0.2718  0.0857 -0.3727 -0.0025      0.0000  0.0534  0.4003  0.1515  0.0035 -0.0068 -0.3758 -0.2326  0.2668  0.0105
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5996  0.0001  0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0105
  0.0001  0.5135 -0.0000 -0.0002  0.0002     -0.0000 -0.0000 -0.0000  0.0104  0.0001
  0.0001 -0.0000  0.6005  0.0001 -0.0001      0.0000  0.0000  0.0000 -0.0000  0.0001
  0.0000 -0.0002  0.0001  0.5135 -0.0001      0.0000 -0.0104  0.0000  0.0000  0.0001
  0.0000  0.0002 -0.0001 -0.0001  0.5151     -0.0105 -0.0001 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0052  0.0004  0.0000  0.0001     -0.0001  0.0000  0.0002 -0.0053  0.0001
 -0.0051 -0.0000  0.0000 -0.0001  0.0003      0.0000  0.0000 -0.0093  0.0000 -0.0051
 -0.0001 -0.0000 -0.0000 -0.0093  0.0000     -0.0001  0.0093  0.0002  0.0001 -0.0000
  0.0000  0.0000  0.0092 -0.0001 -0.0050      0.0050  0.0001 -0.0001 -0.0001  0.0003
  0.0001 -0.0004 -0.0000  0.0054 -0.0002      0.0001  0.0054 -0.0001 -0.0004  0.0000
 
spin component  3
 
 -0.0002 -0.0051 -0.0001  0.0000  0.0001      0.0001 -0.0000  0.0001 -0.0050 -0.0001
  0.0052 -0.0000 -0.0000  0.0000 -0.0004     -0.0000 -0.0000 -0.0093 -0.0001 -0.0054
  0.0004  0.0000 -0.0000  0.0092 -0.0000     -0.0002  0.0093 -0.0002  0.0001  0.0001
  0.0000 -0.0001 -0.0093 -0.0001  0.0054      0.0053 -0.0000 -0.0001  0.0001  0.0004
  0.0001  0.0003  0.0000 -0.0050 -0.0002     -0.0001  0.0051  0.0000 -0.0003 -0.0000
 
spin component  4
 
  0.5993  0.0000  0.0001  0.0001 -0.0000      0.0000 -0.0000  0.0001  0.0000 -0.0102
  0.0000  0.5120  0.0000 -0.0002  0.0000      0.0000  0.0000  0.0000 -0.0084  0.0001
  0.0001  0.0000  0.5996  0.0001  0.0000     -0.0001 -0.0000 -0.0000 -0.0000  0.0000
  0.0001 -0.0002  0.0001  0.5118  0.0001     -0.0000  0.0084  0.0000  0.0000 -0.0002
 -0.0000  0.0000  0.0000  0.0001  0.5143      0.0102 -0.0001 -0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4992  v = -0.0019  0.6293 -0.0002 -0.0681 -0.0359 -0.0216 -0.0399 -0.0001 -0.0392  0.0416      0.0000 -0.0615  0.0008 -0.6289 -0.0285  0.0031  0.0348  0.0001 -0.0435  0.4353
  o =  0.5001  v = -0.0211 -0.0464  0.0006 -0.0358  0.0213  0.0025 -0.6377 -0.0007  0.0304  0.0360      0.0000 -0.0319 -0.0003  0.0428 -0.4134  0.0006 -0.0272  0.0004 -0.6415 -0.0276
  o =  0.5161  v =  0.0633  0.2885 -0.0054  0.1216  0.0037 -0.1270  0.1271  0.0139  0.0397  0.1986      0.0000  0.0019  0.0005 -0.2406 -0.3947 -0.0319  0.0254  0.0059  0.1268 -0.7700
  o =  0.5166  v = -0.1279  0.1314  0.0437  0.0756  0.0048 -0.0628 -0.1994  0.0089 -0.1930  0.0936      0.0000  0.0016  0.0118 -0.1238  0.7695 -0.0166 -0.1962  0.0012 -0.2953 -0.3680
  o =  0.5184  v = -0.0422  0.0479 -0.1457  0.0243 -0.0084 -0.0128 -0.2494  0.0045  0.6463  0.0089      0.0000 -0.0166 -0.0376 -0.0083  0.2495 -0.0020  0.6452  0.0040  0.0904 -0.0731
  o =  0.5217  v =  0.0031 -0.3559  0.0006  0.6257 -0.0070  0.0139 -0.0177  0.1456 -0.0079  0.0541      0.0000 -0.5914 -0.0054 -0.3057 -0.0142 -0.0094 -0.0051 -0.0789  0.0255  0.0818
  o =  0.6010  v = -0.3313 -0.0664  0.2565  0.0109 -0.0017 -0.7948  0.0208  0.0994  0.0286  0.0464      0.0000  0.0335 -0.0101  0.0306 -0.0432  0.3722  0.0294  0.1455  0.0185  0.1000
  o =  0.6015  v =  0.8700 -0.0142  0.0339 -0.0404  0.0001 -0.2800 -0.0497  0.3701  0.0047  0.0078      0.0000  0.0479 -0.0117  0.0179  0.1109  0.0580  0.0040 -0.0090 -0.0509  0.0334
  o =  0.6019  v =  0.3290 -0.0268  0.0449  0.1186 -0.0008 -0.0802 -0.0303 -0.8653  0.0045  0.0312      0.0000 -0.0884  0.0951 -0.0182  0.0424  0.2518  0.0053  0.1879 -0.0072  0.0100
  o =  0.6027  v =  0.0501  0.0205  0.8105 -0.0015  0.0002  0.1211  0.0522 -0.0871  0.0912 -0.0241      0.0000 -0.0220 -0.4900  0.0053  0.0080 -0.2031  0.0914 -0.1119 -0.0577 -0.0136
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5996 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0003  0.0000  0.0102
 -0.0001  0.5121 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0001  0.0080  0.0004
 -0.0001 -0.0000  0.5999  0.0000  0.0000     -0.0003 -0.0001 -0.0000  0.0001 -0.0000
 -0.0000 -0.0001  0.0000  0.5121 -0.0001     -0.0000 -0.0080 -0.0001  0.0000  0.0000
 -0.0000 -0.0001  0.0000 -0.0001  0.5145     -0.0102 -0.0004  0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0004  0.0050  0.0002  0.0000 -0.0000      0.0001  0.0000  0.0001 -0.0050  0.0000
 -0.0052 -0.0003 -0.0000  0.0001  0.0004     -0.0000  0.0001 -0.0092 -0.0000 -0.0050
  0.0001 -0.0001  0.0000 -0.0093  0.0001      0.0000  0.0093 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000  0.0091 -0.0003 -0.0050      0.0051 -0.0001 -0.0001  0.0001  0.0003
 -0.0000 -0.0003  0.0001  0.0047 -0.0002     -0.0000  0.0048 -0.0000 -0.0003 -0.0000
 
spin component  3
 
 -0.0004 -0.0052  0.0001 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0051  0.0000
  0.0050 -0.0003 -0.0001 -0.0000 -0.0003     -0.0000 -0.0001 -0.0093  0.0001 -0.0048
  0.0002 -0.0000  0.0000  0.0091  0.0001     -0.0001  0.0092  0.0001  0.0001  0.0000
  0.0000  0.0001 -0.0093 -0.0003  0.0047      0.0050  0.0000  0.0000 -0.0001  0.0003
 -0.0000  0.0004  0.0001 -0.0050 -0.0002     -0.0000  0.0050 -0.0000 -0.0003  0.0000
 
spin component  4
 
  0.5993  0.0000  0.0000 -0.0001 -0.0000     -0.0000 -0.0000 -0.0003  0.0000 -0.0103
  0.0000  0.5126  0.0000 -0.0002 -0.0001      0.0000 -0.0000  0.0001 -0.0093  0.0003
  0.0000  0.0000  0.6005  0.0000 -0.0001      0.0003 -0.0001  0.0000  0.0000 -0.0001
 -0.0001 -0.0002  0.0000  0.5125  0.0001     -0.0000  0.0093 -0.0000 -0.0000  0.0003
 -0.0000 -0.0001 -0.0001  0.0001  0.5146      0.0103 -0.0003  0.0001 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4997  v = -0.0221  0.1312 -0.0000  0.0792  0.0056 -0.0034 -0.6188  0.0004  0.0056 -0.0646      0.0000  0.0800  0.0004 -0.1401 -0.4078 -0.0016  0.0005  0.0005 -0.6223  0.0968
  o =  0.5009  v =  0.0072  0.5722  0.0001  0.2385  0.0205 -0.0188  0.1660  0.0004  0.0253 -0.1555      0.0000  0.2426  0.0004 -0.5723  0.0982 -0.0077 -0.0157  0.0005  0.1565  0.3764
  o =  0.5155  v = -0.0970 -0.2741  0.0188 -0.1822  0.0022  0.0943 -0.2031 -0.0233 -0.0831 -0.2262      0.0000  0.0303 -0.0036  0.1031  0.6088  0.0372 -0.0906 -0.0182 -0.1799  0.5905
  o =  0.5164  v = -0.1044  0.1249  0.0087  0.1836 -0.0022 -0.0913 -0.1912  0.0218 -0.0425  0.2610      0.0000 -0.0156  0.0058 -0.2446  0.6380 -0.0433 -0.0333 -0.0151 -0.2336 -0.5473
  o =  0.5181  v = -0.0209  0.6927  0.0085 -0.0835 -0.0035 -0.0089 -0.0110 -0.0058 -0.0394 -0.1758      0.0000 -0.0262  0.0068  0.6546  0.1279  0.0291 -0.0385  0.1516 -0.0781 -0.0550
  o =  0.5199  v =  0.0206 -0.0122  0.1565  0.0055 -0.0005 -0.0060  0.1199 -0.0050 -0.6827  0.0534      0.0000  0.0456  0.0184 -0.0339 -0.1209 -0.0102 -0.6857 -0.0053 -0.0459 -0.0296
  o =  0.6008  v = -0.5622 -0.0289  0.0830 -0.0278  0.0004 -0.6936  0.0041  0.0913  0.0100 -0.0382      0.0000 -0.0076  0.2545  0.0511 -0.0708 -0.3027  0.0091 -0.0926  0.0627  0.0883
  o =  0.6016  v =  0.6938 -0.0104  0.2854 -0.0230  0.0008 -0.4509 -0.0105  0.0271  0.0339 -0.0431      0.0000 -0.0173 -0.2644  0.0424  0.0852 -0.3485  0.0339 -0.1394 -0.0702  0.0562
  o =  0.6022  v =  0.4219 -0.0072 -0.3711  0.0033 -0.0010 -0.1638 -0.1130  0.0448 -0.0422  0.0195      0.0000  0.0141  0.7774  0.0102  0.0517  0.1631 -0.0423 -0.0125  0.0637  0.0206
  o =  0.6027  v =  0.0534 -0.1141  0.0930 -0.0253  0.0001 -0.1564  0.0012  0.2558  0.0108  0.0082      0.0000  0.0305 -0.0277 -0.0959  0.0073  0.0515  0.0107  0.9331 -0.0059  0.0180
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5833  0.0001  0.0000  0.0000 -0.0001      0.0000 -0.0001 -0.0001 -0.0000  0.0128
  0.0001  0.5468  0.0001 -0.0003 -0.0000      0.0001 -0.0000 -0.0002  0.0361  0.0006
  0.0000  0.0001  0.5859 -0.0000 -0.0001      0.0001  0.0002  0.0000  0.0001 -0.0001
  0.0000 -0.0003 -0.0000  0.5468  0.0005      0.0000 -0.0361 -0.0001  0.0000  0.0001
 -0.0001 -0.0000 -0.0001  0.0005  0.5522     -0.0128 -0.0006  0.0001 -0.0001 -0.0000
 
spin component  2
 
  0.0001  0.0067  0.0001  0.0000 -0.0001     -0.0000 -0.0000 -0.0002 -0.0067  0.0000
 -0.0067  0.0008  0.0001 -0.0000 -0.0003      0.0001 -0.0002 -0.0119  0.0005 -0.0294
 -0.0001  0.0000  0.0004 -0.0118 -0.0001     -0.0001  0.0119 -0.0002  0.0000  0.0000
 -0.0000  0.0000  0.0119  0.0017 -0.0294      0.0067  0.0003 -0.0000 -0.0001 -0.0003
  0.0000  0.0003 -0.0002  0.0294  0.0005      0.0000  0.0294 -0.0000  0.0003 -0.0000
 
spin component  3
 
  0.0001 -0.0067 -0.0001 -0.0000  0.0000      0.0000 -0.0001  0.0001 -0.0067 -0.0000
  0.0067  0.0008  0.0000  0.0000  0.0003      0.0000  0.0002 -0.0119 -0.0003 -0.0294
  0.0001  0.0001  0.0004  0.0119 -0.0002      0.0002  0.0119  0.0002  0.0000  0.0000
  0.0000 -0.0000 -0.0118  0.0017  0.0294      0.0067 -0.0005 -0.0000  0.0001 -0.0003
 -0.0001 -0.0003 -0.0001 -0.0294  0.0005     -0.0000  0.0294 -0.0000  0.0003  0.0000
 
spin component  4
 
  0.5838 -0.0001 -0.0003  0.0000 -0.0000      0.0000  0.0000  0.0001 -0.0000 -0.0128
 -0.0001  0.5468 -0.0000 -0.0002  0.0001     -0.0000  0.0000 -0.0001 -0.0358  0.0006
 -0.0003 -0.0000  0.5863 -0.0000  0.0000     -0.0001  0.0001  0.0000 -0.0000  0.0001
  0.0000 -0.0002 -0.0000  0.5471 -0.0005      0.0000  0.0358  0.0000  0.0000  0.0001
 -0.0000  0.0001  0.0000 -0.0005  0.5524      0.0128 -0.0006 -0.0001 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4847  v = -0.0082 -0.4761  0.0005 -0.0524  0.0044  0.0112 -0.3524 -0.0004  0.0052  0.0440      0.0000 -0.0484  0.0001  0.4896 -0.3084  0.0007 -0.0043  0.0007 -0.3678 -0.4145
  o =  0.4856  v =  0.0107 -0.3653 -0.0005 -0.0266  0.0109  0.0082  0.4886 -0.0004  0.0158  0.0207      0.0000 -0.0201  0.0009  0.3465  0.4257  0.0006 -0.0082 -0.0011  0.4741 -0.3157
  o =  0.5645  v = -0.6151  0.0945 -0.0241 -0.0602 -0.0038 -0.1406 -0.2789 -0.0131  0.0245 -0.1251      0.0000 -0.0438 -0.0186 -0.0363  0.6233  0.1226  0.0229  0.0398 -0.2534 -0.1451
  o =  0.5648  v = -0.1939 -0.2247  0.0146  0.1958 -0.0005  0.4630 -0.0651  0.0265 -0.0052  0.4089      0.0000  0.1514  0.0254  0.1740  0.1946 -0.3986 -0.0119 -0.0323 -0.0953  0.4753
  o =  0.5674  v =  0.0329  0.1662 -0.5781  0.0446 -0.0018  0.0117 -0.1832  0.0311  0.4504  0.0429      0.0000  0.0069 -0.2574  0.1818 -0.0291 -0.0419  0.4436  0.2283  0.2113  0.0120
  o =  0.5678  v =  0.0143  0.4524  0.1394 -0.1716  0.0011  0.0192  0.1594 -0.2341 -0.1171  0.0349      0.0000  0.1907  0.1794  0.4638 -0.0127 -0.0303 -0.1049  0.5811 -0.1297  0.0215
  o =  0.5967  v =  0.7018 -0.0909  0.0323  0.0195 -0.0021 -0.2952 -0.2363 -0.0141  0.0181  0.0185      0.0000 -0.0015  0.0167  0.0947  0.5020  0.0257  0.0154  0.0018 -0.2155  0.2129
  o =  0.5971  v =  0.2980  0.2333  0.0055 -0.0508 -0.0030  0.7030 -0.1061  0.0496  0.0015 -0.0411      0.0000  0.0140  0.0073 -0.2144  0.2079 -0.0589  0.0012 -0.0123 -0.0887 -0.4936
  o =  0.6011  v = -0.0263  0.2222  0.3843  0.1832  0.0085  0.0178 -0.2831 -0.2668  0.2524  0.0196      0.0000 -0.1575  0.4555  0.2166 -0.0200  0.0365  0.2515 -0.3367  0.3080 -0.0179
  o =  0.6017  v =  0.0219  0.1247 -0.4197  0.3670  0.0047  0.0356  0.0679 -0.5739 -0.2614  0.0168      0.0000 -0.3628 -0.1153  0.1030  0.0194  0.0158 -0.2687 -0.1846 -0.0784 -0.0267
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5834  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0003 -0.0001  0.0128
  0.0000  0.5468 -0.0001 -0.0002  0.0000      0.0000 -0.0000  0.0001  0.0362 -0.0000
 -0.0001 -0.0001  0.5865 -0.0001  0.0000      0.0003 -0.0001  0.0000  0.0001 -0.0000
 -0.0000 -0.0002 -0.0001  0.5467 -0.0000      0.0001 -0.0362 -0.0001  0.0000  0.0000
 -0.0000  0.0000  0.0000 -0.0000  0.5515     -0.0128  0.0000  0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0001  0.0066 -0.0002  0.0000  0.0000      0.0001  0.0001 -0.0000 -0.0066 -0.0001
 -0.0068 -0.0002  0.0000 -0.0000 -0.0003      0.0001  0.0000 -0.0118 -0.0001 -0.0296
  0.0002 -0.0001  0.0001 -0.0119  0.0000      0.0000  0.0119  0.0003  0.0000 -0.0001
 -0.0000 -0.0000  0.0118 -0.0002 -0.0296      0.0068 -0.0001 -0.0000  0.0000 -0.0003
 -0.0000  0.0003  0.0000  0.0291 -0.0001     -0.0000  0.0291  0.0000  0.0003  0.0001
 
spin component  3
 
  0.0001 -0.0068  0.0002 -0.0000 -0.0000     -0.0001 -0.0001 -0.0000 -0.0068  0.0000
  0.0066 -0.0002 -0.0001 -0.0000  0.0003     -0.0001 -0.0000 -0.0119  0.0001 -0.0291
 -0.0002  0.0000  0.0001  0.0118  0.0000      0.0000  0.0118 -0.0003  0.0000 -0.0000
  0.0000 -0.0000 -0.0119 -0.0002  0.0291      0.0066  0.0001 -0.0000 -0.0000 -0.0003
  0.0000 -0.0003  0.0000 -0.0296 -0.0001      0.0001  0.0296  0.0001  0.0003 -0.0001
 
spin component  4
 
  0.5835 -0.0000 -0.0002 -0.0001 -0.0000      0.0000 -0.0000  0.0002  0.0000 -0.0130
 -0.0000  0.5472  0.0000 -0.0003  0.0000      0.0000  0.0000 -0.0001 -0.0357 -0.0000
 -0.0002  0.0000  0.5861  0.0001  0.0000     -0.0002  0.0001  0.0000  0.0001  0.0000
 -0.0001 -0.0003  0.0001  0.5471 -0.0000     -0.0000  0.0357 -0.0001  0.0000  0.0000
 -0.0000  0.0000  0.0000 -0.0000  0.5529      0.0130  0.0000 -0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4851  v =  0.0135 -0.0583 -0.0008  0.0575 -0.0171  0.0020  0.5927 -0.0002 -0.0151 -0.0502      0.0000  0.0581  0.0002  0.0616  0.5256 -0.0009  0.0222 -0.0001  0.5936 -0.0499
  o =  0.4855  v = -0.0013 -0.3038  0.0002  0.5127 -0.0173  0.0059 -0.0807 -0.0005 -0.0178 -0.4412      0.0000  0.5157  0.0009  0.3094 -0.0714 -0.0110  0.0188  0.0012 -0.0795 -0.2635
  o =  0.5645  v =  0.6023  0.1056  0.0225 -0.0152  0.0010 -0.2218  0.2768 -0.0444 -0.0198  0.0386      0.0000  0.0474  0.0217 -0.0829 -0.6098 -0.0333 -0.0199  0.0151  0.2511 -0.2223
  o =  0.5646  v = -0.2237  0.2500 -0.0214  0.0095 -0.0019 -0.5940 -0.1020 -0.0362  0.0171  0.0979      0.0000  0.0719 -0.0108 -0.2594  0.2281 -0.0967  0.0151 -0.0015 -0.0927 -0.6081
  o =  0.5676  v =  0.0369 -0.3230 -0.1532  0.3397 -0.0044 -0.0342 -0.1298  0.4510  0.1159 -0.0284      0.0000 -0.3592 -0.1865 -0.3511 -0.0397  0.0301  0.1113 -0.4353  0.1639 -0.0388
  o =  0.5679  v = -0.0248 -0.1805  0.6049  0.0199  0.0059 -0.0122  0.1017  0.0301 -0.4828 -0.0160      0.0000 -0.0299  0.1403 -0.1941  0.0258  0.0120 -0.4764 -0.2359 -0.1169 -0.0181
  o =  0.5967  v =  0.7505  0.0349  0.0382 -0.0305 -0.0002  0.1015 -0.2551  0.0008  0.0223 -0.0726      0.0000 -0.0346  0.0109 -0.0290  0.5291 -0.1039  0.0219 -0.0032 -0.2310 -0.0722
  o =  0.5969  v =  0.1410 -0.1890  0.0017  0.1805 -0.0006 -0.5306 -0.0663 -0.0235 -0.0020  0.3773      0.0000  0.1542  0.0276  0.1478  0.1049  0.5294 -0.0022  0.0276 -0.0300  0.3791
  o =  0.6013  v = -0.0380 -0.0960  0.4765  0.2748  0.0060  0.0121 -0.1990 -0.4318  0.3009 -0.0176      0.0000 -0.2916  0.3266 -0.1052 -0.0246 -0.0210  0.3060  0.1550  0.2189 -0.0125
  o =  0.6016  v = -0.0209  0.1450  0.4068 -0.3360  0.0022 -0.0383 -0.1364  0.5247  0.2565 -0.0020      0.0000  0.3315  0.2301  0.1658 -0.0177 -0.0074  0.2557 -0.2447  0.1492  0.0268
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5979 -0.0000 -0.0000 -0.0000 -0.0001     -0.0000 -0.0000  0.0001 -0.0001  0.0185
 -0.0000  0.5374 -0.0002 -0.0002 -0.0002      0.0000  0.0000 -0.0001  0.0653 -0.0006
 -0.0000 -0.0002  0.5994  0.0001 -0.0001     -0.0001  0.0001  0.0000  0.0001  0.0000
 -0.0000 -0.0002  0.0001  0.5372 -0.0003      0.0001 -0.0653 -0.0001 -0.0000  0.0005
 -0.0001 -0.0002 -0.0001 -0.0003  0.5489     -0.0185  0.0006 -0.0000 -0.0005  0.0000
 
spin component  2
 
  0.0001  0.0090 -0.0000  0.0000  0.0001      0.0001  0.0000  0.0001 -0.0091 -0.0000
 -0.0092  0.0021 -0.0000  0.0001  0.0002     -0.0000  0.0011 -0.0155  0.0000 -0.0737
  0.0000 -0.0000 -0.0000 -0.0154 -0.0000     -0.0001  0.0153  0.0002  0.0000  0.0001
  0.0000  0.0002  0.0156  0.0020 -0.0742      0.0092 -0.0001  0.0001  0.0014  0.0002
  0.0000 -0.0001  0.0000  0.0744  0.0020     -0.0001  0.0738  0.0000 -0.0002  0.0011
 
spin component  3
 
  0.0001 -0.0092  0.0000  0.0000  0.0000     -0.0001  0.0000  0.0001 -0.0092  0.0001
  0.0090  0.0021 -0.0000  0.0002 -0.0001     -0.0000 -0.0011 -0.0153  0.0001 -0.0738
 -0.0000 -0.0000 -0.0000  0.0156  0.0000     -0.0001  0.0155 -0.0002 -0.0001 -0.0000
  0.0000  0.0001 -0.0154  0.0020  0.0744      0.0091 -0.0000 -0.0000 -0.0014  0.0002
  0.0001  0.0002 -0.0000 -0.0742  0.0020      0.0000  0.0737 -0.0001 -0.0002 -0.0011
 
spin component  4
 
  0.5976  0.0001 -0.0001  0.0001  0.0001      0.0000 -0.0001 -0.0001 -0.0000 -0.0186
  0.0001  0.5448  0.0001 -0.0002  0.0001      0.0001 -0.0000 -0.0001 -0.0669 -0.0006
 -0.0001  0.0001  0.5998 -0.0000  0.0000      0.0001  0.0001 -0.0000  0.0001  0.0000
  0.0001 -0.0002 -0.0000  0.5444  0.0002      0.0000  0.0669 -0.0001  0.0000  0.0003
  0.0001  0.0001  0.0000  0.0002  0.5560      0.0186  0.0006 -0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4009  v =  0.0003  0.5423  0.0002  0.1475  0.0983 -0.0009 -0.1297  0.0004  0.0956 -0.1421      0.0000  0.1491 -0.0002 -0.5431 -0.1302 -0.0001 -0.0925 -0.0003 -0.1206  0.5206
  o =  0.4029  v = -0.0010  0.1517  0.0003 -0.0422 -0.0544 -0.0007  0.5484 -0.0003 -0.0529  0.0415      0.0000 -0.0484 -0.0005 -0.1607  0.5560 -0.0004  0.0548 -0.0005  0.5529  0.1450
  o =  0.5794  v = -0.1021  0.4123  0.0584 -0.2447 -0.0000  0.0001 -0.0131 -0.3706 -0.0329  0.0054      0.0000  0.2498  0.0352  0.4083  0.0707 -0.0020 -0.0326  0.6155 -0.0495 -0.0004
  o =  0.5826  v = -0.0265  0.0411 -0.6894 -0.0099  0.0028 -0.0297  0.1939  0.0282  0.3708 -0.0722      0.0000 -0.0514  0.3685  0.0278  0.0121  0.1207  0.3758  0.0549 -0.2047 -0.0135
  o =  0.5847  v =  0.7929 -0.0233 -0.0540  0.0034  0.0019  0.2938  0.1931 -0.0512  0.0264  0.0583      0.0000  0.0539 -0.0118  0.1154 -0.3762 -0.1170  0.0285  0.0899  0.1916  0.1427
  o =  0.5855  v = -0.3278 -0.1703 -0.1016  0.0716  0.0025  0.7469 -0.0960  0.0223  0.0419  0.1356      0.0000  0.0576 -0.0586  0.1453  0.1419 -0.3128  0.0441 -0.0247 -0.0450  0.3314
  o =  0.6228  v =  0.0658  0.4437 -0.0222 -0.2572 -0.0030  0.0059 -0.0278  0.3474 -0.0157  0.0065      0.0000  0.2634  0.0021  0.4372  0.0656  0.0094 -0.0195 -0.5867 -0.0290 -0.0048
  o =  0.6281  v = -0.0212 -0.0093  0.1864 -0.0166 -0.0017 -0.0504  0.5403 -0.0131  0.1719 -0.0634      0.0000 -0.0365 -0.5727  0.0421 -0.0196 -0.0534  0.1714 -0.0190 -0.5183  0.0600
  o =  0.6365  v =  0.4550  0.0766 -0.0171 -0.0513 -0.0001  0.1832 -0.2857 -0.0217 -0.0200 -0.1559      0.0000 -0.1005 -0.0291 -0.1775  0.6281 -0.1125 -0.0199  0.0446 -0.3528 -0.2597
  o =  0.6400  v = -0.2023  0.2886 -0.0513 -0.1749  0.0024  0.3641  0.1825  0.0121 -0.0640 -0.3267      0.0000 -0.1375 -0.0219 -0.2542 -0.3086 -0.2109 -0.0621 -0.0141  0.1245 -0.5679
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5974 -0.0000 -0.0001 -0.0001  0.0001      0.0000 -0.0000  0.0001 -0.0000  0.0164
 -0.0000  0.5266  0.0000 -0.0001  0.0001      0.0000 -0.0000  0.0001  0.0446  0.0007
 -0.0001  0.0000  0.5995  0.0000 -0.0000     -0.0001 -0.0001 -0.0000 -0.0000 -0.0000
 -0.0001 -0.0001  0.0000  0.5265  0.0001      0.0000 -0.0446  0.0000 -0.0000 -0.0003
  0.0001  0.0001 -0.0000  0.0001  0.5388     -0.0164 -0.0007  0.0000  0.0003  0.0000
 
spin component  2
 
 -0.0001  0.0081 -0.0000 -0.0000 -0.0001     -0.0001  0.0001  0.0001 -0.0081  0.0001
 -0.0082 -0.0020 -0.0000 -0.0000  0.0002      0.0000 -0.0005 -0.0138  0.0002 -0.0544
 -0.0000 -0.0000  0.0001 -0.0135 -0.0000      0.0001  0.0135 -0.0002  0.0000  0.0000
  0.0000 -0.0001  0.0137 -0.0016 -0.0542      0.0083  0.0003 -0.0001 -0.0007  0.0002
  0.0000 -0.0002 -0.0000  0.0543 -0.0021      0.0001  0.0549 -0.0000 -0.0003 -0.0005
 
spin component  3
 
 -0.0001 -0.0082 -0.0000  0.0000  0.0000      0.0001 -0.0000 -0.0001 -0.0083 -0.0001
  0.0081 -0.0020 -0.0000 -0.0001 -0.0002     -0.0001  0.0005 -0.0135 -0.0003 -0.0549
 -0.0000 -0.0000  0.0001  0.0137 -0.0000     -0.0001  0.0138  0.0002  0.0001  0.0000
 -0.0000 -0.0000 -0.0135 -0.0016  0.0543      0.0081 -0.0002 -0.0000  0.0007  0.0003
 -0.0001  0.0002 -0.0000 -0.0542 -0.0021     -0.0001  0.0544 -0.0000 -0.0002  0.0005
 
spin component  4
 
  0.5978 -0.0001 -0.0002 -0.0001  0.0000     -0.0000 -0.0000 -0.0001  0.0000 -0.0165
 -0.0001  0.5344 -0.0001 -0.0001 -0.0002      0.0000  0.0000  0.0000 -0.0468  0.0007
 -0.0002 -0.0001  0.5999 -0.0000  0.0000      0.0001 -0.0000  0.0000 -0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5348 -0.0001     -0.0000  0.0468  0.0000  0.0000 -0.0002
  0.0000 -0.0002  0.0000 -0.0001  0.5459      0.0165 -0.0007  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4301  v =  0.0008 -0.3834 -0.0007  0.4176 -0.0899  0.0011 -0.1296 -0.0004 -0.0805 -0.3964      0.0000  0.4190 -0.0008  0.3782 -0.1334 -0.0017  0.0908 -0.0003 -0.1243 -0.3607
  o =  0.4325  v = -0.0010 -0.1312 -0.0000  0.0839  0.1714  0.0008  0.5260  0.0003  0.1688 -0.0759      0.0000  0.0837  0.0004  0.1422  0.5361 -0.0003 -0.1682  0.0008  0.5261 -0.1250
  o =  0.5615  v = -0.0411 -0.6068  0.0127  0.1544  0.0032 -0.0053 -0.0158  0.1093 -0.0170 -0.0029      0.0000 -0.1576  0.0089 -0.6156  0.0617 -0.0026 -0.0140 -0.4296 -0.0333 -0.0077
  o =  0.5689  v =  0.0074  0.0162 -0.2412  0.0045 -0.0009 -0.0410  0.5333 -0.0117  0.2709  0.0596      0.0000  0.0435  0.4752 -0.0237 -0.0127 -0.0490  0.2680 -0.0034 -0.5224 -0.0520
  o =  0.5753  v = -0.6231 -0.0693  0.0055  0.0062 -0.0004  0.2358 -0.2603 -0.0135 -0.0072  0.0372      0.0000  0.0305  0.0289  0.1475  0.5550 -0.0375 -0.0072  0.0414 -0.3110  0.2247
  o =  0.5780  v =  0.2658 -0.2688  0.0404  0.0425 -0.0018  0.6512  0.1466  0.0118 -0.0286  0.0863      0.0000  0.0389  0.0534  0.2309 -0.2050 -0.1082 -0.0314 -0.0249  0.0580  0.5322
  o =  0.6094  v = -0.0727  0.2765  0.0263 -0.1453  0.0003 -0.0148  0.0039  0.4009  0.0129 -0.0099      0.0000  0.1362  0.0244  0.2825 -0.0377 -0.0046  0.0127 -0.7961  0.0292  0.0059
  o =  0.6119  v =  0.0192 -0.0368  0.3715  0.0158 -0.0049 -0.0984 -0.3427 -0.0265  0.1682  0.0124      0.0000 -0.0048  0.7494  0.0183  0.0119  0.0135  0.1636  0.0275  0.3312  0.0641
  o =  0.6157  v =  0.6763 -0.0753 -0.0293  0.0029  0.0015 -0.2930 -0.2266  0.0329 -0.0126  0.0373      0.0000  0.0330 -0.0469  0.1320  0.4954  0.0536 -0.0118 -0.0507 -0.2806  0.2139
  o =  0.6184  v = -0.2763 -0.2720 -0.0346  0.0513  0.0012 -0.6257  0.1628 -0.0016 -0.0248  0.0951      0.0000  0.0387 -0.0717  0.2311 -0.2372  0.1129 -0.0246  0.0336  0.0743  0.5309
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5978 -0.0001  0.0001 -0.0001 -0.0000      0.0000  0.0000 -0.0002 -0.0000  0.0208
 -0.0001  0.5547  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0919 -0.0002
  0.0001  0.0000  0.5994 -0.0000 -0.0000      0.0002  0.0000 -0.0000  0.0000  0.0000
 -0.0001 -0.0001 -0.0000  0.5545 -0.0000      0.0000 -0.0919 -0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0000 -0.0000  0.5653     -0.0208  0.0002 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0104  0.0003  0.0000  0.0000      0.0001  0.0000 -0.0001 -0.0104 -0.0000
 -0.0103  0.0006 -0.0000  0.0000  0.0003     -0.0000  0.0001 -0.0174  0.0000 -0.0965
  0.0001  0.0000 -0.0002 -0.0175  0.0000      0.0002  0.0174 -0.0001 -0.0000 -0.0000
 -0.0001  0.0002  0.0174  0.0008 -0.0964      0.0104  0.0001  0.0000  0.0002  0.0003
  0.0001 -0.0001 -0.0000  0.0965  0.0007     -0.0000  0.0968 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0001 -0.0103  0.0001 -0.0001  0.0001     -0.0001  0.0000 -0.0002 -0.0104  0.0000
  0.0104  0.0006  0.0000  0.0002 -0.0001     -0.0000 -0.0001 -0.0174 -0.0001 -0.0968
  0.0003 -0.0000 -0.0002  0.0174 -0.0000      0.0001  0.0174  0.0001 -0.0000  0.0000
  0.0000  0.0000 -0.0175  0.0008  0.0965      0.0104 -0.0000  0.0000 -0.0002  0.0000
  0.0000  0.0003  0.0000 -0.0964  0.0007      0.0000  0.0965  0.0000 -0.0003 -0.0001
 
spin component  4
 
  0.5979 -0.0000 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0001 -0.0000 -0.0208
 -0.0000  0.5527  0.0000 -0.0003 -0.0001      0.0000 -0.0000 -0.0001 -0.0918 -0.0002
 -0.0001  0.0000  0.5993 -0.0000  0.0000     -0.0001  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5529  0.0001      0.0000  0.0918 -0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.0001  0.5633      0.0208  0.0002  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3670  v =  0.0008 -0.1754  0.0001 -0.1414  0.2131  0.0001  0.4910 -0.0001  0.2194  0.1385      0.0000 -0.1413  0.0002  0.1731  0.4774 -0.0001 -0.2194  0.0000  0.4894 -0.1730
  o =  0.3674  v = -0.0008 -0.3193 -0.0002 -0.4287 -0.0378  0.0004 -0.2219 -0.0001 -0.0369  0.4230      0.0000 -0.4289  0.0001  0.3200 -0.2157  0.0005  0.0385  0.0001 -0.2230 -0.3149
  o =  0.5881  v = -0.4873  0.0116  0.5144  0.0590  0.0001 -0.4863 -0.1287  0.0983 -0.1605  0.0611      0.0000  0.0004 -0.1860 -0.1326  0.1456 -0.1989 -0.1604 -0.2045 -0.0127 -0.1464
  o =  0.5886  v = -0.3129 -0.2460 -0.2269  0.0009 -0.0007  0.4841 -0.1023 -0.1335  0.0696  0.0852      0.0000  0.0833 -0.1940 -0.1056  0.0900 -0.2898  0.0686 -0.5850  0.0151  0.1429
  o =  0.5888  v = -0.7180  0.1066 -0.3824  0.0102  0.0010  0.0192 -0.0478  0.1270  0.1165 -0.0552      0.0000 -0.0634  0.1751  0.1113  0.2145  0.1797  0.1166  0.3564 -0.1593  0.0058
  o =  0.5890  v =  0.1841  0.0167 -0.5057  0.2053  0.0004 -0.3954 -0.0167  0.5220  0.1579  0.0937      0.0000 -0.1126 -0.1328 -0.0999 -0.0562 -0.3155  0.1572 -0.1352  0.0706 -0.1192
  o =  0.6554  v =  0.0165  0.0594 -0.3974  0.0232 -0.0058 -0.0010  0.0563 -0.0050 -0.6374  0.0314      0.0000  0.0054 -0.0433  0.0568  0.0287  0.0161 -0.6423 -0.0371 -0.0842 -0.0020
  o =  0.6570  v =  0.0155  0.5823  0.0282 -0.2677 -0.0029 -0.0070 -0.0506  0.1611  0.0481 -0.0029      0.0000  0.2649  0.0232  0.5965  0.0287 -0.0006  0.0455 -0.3565  0.0252  0.0138
  o =  0.6676  v = -0.1925 -0.2986 -0.0074  0.0827 -0.0012 -0.2725  0.1898  0.0011 -0.0108  0.1733      0.0000  0.0882  0.0127  0.3054 -0.4357  0.0778 -0.0120 -0.0019  0.2363  0.6110
  o =  0.6687  v = -0.2786  0.2349 -0.0107 -0.0648 -0.0007  0.1839  0.3237  0.0035 -0.0203 -0.1170      0.0000 -0.0503 -0.0057 -0.1772 -0.6393 -0.0511 -0.0211 -0.0140  0.2978 -0.4191
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5976  0.0000  0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0196
  0.0000  0.5519  0.0000 -0.0002  0.0003     -0.0000 -0.0000  0.0000  0.0764 -0.0002
  0.0000  0.0000  0.5995  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.5517 -0.0002     -0.0000 -0.0764  0.0000 -0.0000 -0.0003
  0.0000  0.0003 -0.0000 -0.0002  0.5625     -0.0196  0.0002 -0.0001  0.0003 -0.0000
 
spin component  2
 
  0.0001  0.0098  0.0001  0.0001 -0.0000     -0.0002 -0.0000  0.0000 -0.0098 -0.0000
 -0.0094  0.0007  0.0000 -0.0001  0.0001     -0.0000 -0.0010 -0.0161  0.0000 -0.0819
 -0.0001  0.0001 -0.0002 -0.0164  0.0000     -0.0000  0.0163 -0.0000  0.0000  0.0001
  0.0001 -0.0002  0.0160  0.0007 -0.0821      0.0094 -0.0001  0.0000 -0.0010  0.0001
 -0.0000 -0.0002 -0.0000  0.0825  0.0006     -0.0000  0.0822  0.0001 -0.0002 -0.0006
 
spin component  3
 
  0.0001 -0.0094 -0.0001  0.0001 -0.0000      0.0002  0.0000  0.0000 -0.0094  0.0000
  0.0098  0.0007  0.0001 -0.0002 -0.0002      0.0000  0.0010 -0.0163  0.0001 -0.0822
  0.0001  0.0000 -0.0002  0.0160 -0.0000     -0.0000  0.0161  0.0000 -0.0000 -0.0001
  0.0001 -0.0001 -0.0164  0.0007  0.0825      0.0098 -0.0000 -0.0000  0.0010  0.0002
 -0.0000  0.0001  0.0000 -0.0821  0.0006      0.0000  0.0819 -0.0001 -0.0001  0.0006
 
spin component  4
 
  0.5976  0.0001 -0.0002  0.0000  0.0001      0.0000  0.0000  0.0001  0.0000 -0.0192
  0.0001  0.5392 -0.0000 -0.0002 -0.0003     -0.0000  0.0000 -0.0001 -0.0733 -0.0002
 -0.0002 -0.0000  0.5994 -0.0000  0.0000     -0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5392  0.0001     -0.0000  0.0733  0.0000  0.0000 -0.0002
  0.0001 -0.0003  0.0000  0.0001  0.5513      0.0192  0.0002  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3886  v = -0.0012  0.0492  0.0002  0.0489  0.1796  0.0003 -0.5518  0.0002  0.1901 -0.0509      0.0000  0.0460 -0.0002 -0.0455 -0.5208  0.0002 -0.1910  0.0001 -0.5526  0.0489
  o =  0.3909  v =  0.0003  0.3729  0.0003  0.4284 -0.0251  0.0003  0.0655  0.0002 -0.0287 -0.4393      0.0000  0.4278  0.0001 -0.3746  0.0589  0.0003  0.0244 -0.0004  0.0646  0.3836
  o =  0.5824  v = -0.0025 -0.0119 -0.6176 -0.0259  0.0022  0.0298 -0.2670 -0.0330  0.3287 -0.0300      0.0000 -0.0013 -0.5013  0.0009 -0.0006  0.0567  0.3306 -0.0171  0.2671  0.0134
  o =  0.5862  v = -0.1972  0.1547  0.0100 -0.0445  0.0001 -0.0913 -0.0194  0.2586 -0.0032 -0.2878      0.0000 -0.2517  0.0363  0.1159  0.0750  0.7519 -0.0014  0.3520 -0.0485 -0.0367
  o =  0.5866  v = -0.2012  0.1943  0.0312 -0.0306 -0.0077  0.3899 -0.0614 -0.2137 -0.0125  0.1030      0.0000  0.1376 -0.0506  0.3483  0.0764 -0.2624 -0.0181  0.6833 -0.0094  0.1508
  o =  0.5871  v =  0.8676  0.0764  0.0092 -0.0219 -0.0016  0.0674  0.1497  0.0152 -0.0023 -0.0429      0.0000 -0.0234 -0.0065  0.1058 -0.3242  0.1074 -0.0037  0.2421  0.1549  0.0280
  o =  0.6295  v = -0.0075 -0.0102  0.5595 -0.0042 -0.0027 -0.0257  0.2120  0.0004  0.5252 -0.0032      0.0000  0.0020 -0.2205  0.0198 -0.0105 -0.0034  0.5236 -0.0044 -0.2021  0.0331
  o =  0.6409  v = -0.0486 -0.3696 -0.0048 -0.5070  0.0004 -0.0275  0.0370  0.3967 -0.0030 -0.0062      0.0000  0.5013 -0.0052 -0.3297 -0.0749 -0.0074 -0.0026  0.2766  0.0290  0.0378
  o =  0.6472  v = -0.0508 -0.2675 -0.0222 -0.1917  0.0028 -0.3469  0.0451 -0.0152 -0.0310 -0.4207      0.0000 -0.2405 -0.0039  0.3363 -0.0862 -0.2470 -0.0297 -0.0248  0.0389  0.5880
  o =  0.6506  v =  0.4036 -0.0705  0.0040 -0.0756  0.0006 -0.0424 -0.3512  0.0330  0.0053 -0.0508      0.0000  0.0259 -0.0017  0.0059  0.7500 -0.0258  0.0054  0.0223 -0.3569  0.0763
     EDDAV:  cpu time   72.6787: real time   73.4205
       DOS:  cpu time    0.0526: real time    0.0528
    CHARGE:  cpu time    1.1773: real time    1.1873
    MIXING:  cpu time    0.0298: real time    0.0301
    --------------------------------------------
      LOOP:  cpu time   74.8636: real time   75.6234

 eigenvalue-minimisations  : 12920
 total energy-change (2. order) : 0.1481863E+02  (-0.3970792E+01)
 number of electron    1039.9999684 magnetization       0.0080279     -0.0025292     -0.0040490
 augmentation part       28.6785740 magnetization       0.0549277      0.0207242     -0.0234155

 Broyden mixing:
  rms(total) = 0.61681E+01    rms(broyden)= 0.61680E+01
  rms(prec ) = 0.67229E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7016
  1.7023  0.4324  0.3359  0.3359

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17362.03782638
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2468.62891920
  PAW double counting   =     81319.08733915   -80124.73502160
  entropy T*S    EENTRO =         0.19763161
  eigenvalues    EBANDS =     -6168.93870012
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1075.27157603 eV

  energy without entropy =    -1075.46920764  energy(sigma->0) =    -1075.33745323


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.4723: real time    0.4781
    SETDIJ:  cpu time    0.4396: real time    0.4416
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5991  0.0000  0.0000  0.0001 -0.0000     -0.0000  0.0001  0.0001 -0.0001  0.0181
  0.0000  0.5135 -0.0001 -0.0002 -0.0002     -0.0001 -0.0000 -0.0000  0.0377 -0.0007
  0.0000 -0.0001  0.6011  0.0001 -0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0001
  0.0001 -0.0002  0.0001  0.5136 -0.0004      0.0001 -0.0377  0.0000  0.0000  0.0005
 -0.0000 -0.0002 -0.0000 -0.0004  0.5232     -0.0181  0.0007  0.0001 -0.0005 -0.0000
 
spin component  2
 
  0.0002  0.0091 -0.0002 -0.0000 -0.0000      0.0002 -0.0000 -0.0000 -0.0091 -0.0001
 -0.0093  0.0017 -0.0001 -0.0001 -0.0001     -0.0000  0.0009 -0.0154 -0.0001 -0.0420
  0.0000  0.0000  0.0001 -0.0150  0.0000     -0.0001  0.0152 -0.0000 -0.0001  0.0001
  0.0000 -0.0002  0.0154  0.0014 -0.0412      0.0092 -0.0002  0.0000  0.0012 -0.0000
  0.0001  0.0000 -0.0000  0.0424  0.0016      0.0000  0.0431 -0.0000 -0.0000  0.0014
 
spin component  3
 
  0.0002 -0.0093  0.0000  0.0000  0.0001     -0.0002  0.0000  0.0001 -0.0092 -0.0000
  0.0091  0.0017  0.0000 -0.0002  0.0000      0.0000 -0.0009 -0.0152  0.0002 -0.0431
 -0.0002 -0.0001  0.0001  0.0154 -0.0000      0.0000  0.0154  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0150  0.0014  0.0424      0.0091  0.0001  0.0001 -0.0012  0.0000
 -0.0000 -0.0001  0.0000 -0.0412  0.0016      0.0001  0.0420 -0.0001  0.0000 -0.0014
 
spin component  4
 
  0.5992  0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0182
  0.0001  0.5203 -0.0000 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0401 -0.0008
 -0.0001 -0.0000  0.6016 -0.0001 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5205  0.0004      0.0000  0.0401 -0.0000 -0.0000  0.0005
 -0.0000  0.0001 -0.0000  0.0004  0.5307      0.0182  0.0008 -0.0000 -0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4367  v = -0.0005  0.0948  0.0006  0.5648  0.1265 -0.0007  0.0679 -0.0010  0.1183 -0.5180      0.0000  0.5702 -0.0005 -0.0953  0.0738 -0.0052 -0.1271 -0.0004  0.0753  0.0865
  o =  0.4393  v =  0.0022  0.1055  0.0002 -0.0974  0.0262 -0.0016  0.5634  0.0006  0.0279  0.0880      0.0000 -0.1045  0.0009 -0.1156  0.5532  0.0016 -0.0242 -0.0004  0.5591  0.0960
  o =  0.5431  v =  0.0554 -0.5327 -0.0015  0.3866 -0.0005 -0.0036  0.0481  0.1947  0.0014  0.0142      0.0000 -0.3686 -0.0016 -0.5411 -0.1194 -0.0079  0.0001 -0.2779  0.0550 -0.0065
  o =  0.5507  v =  0.0571  0.0043  0.3200  0.0574 -0.0006  0.0090 -0.2927 -0.0103 -0.5248  0.1702      0.0000  0.0844 -0.2114  0.0181 -0.1001 -0.0899 -0.5221  0.0070  0.3971  0.0153
  o =  0.5533  v = -0.4093  0.0107  0.0703  0.0082 -0.0023 -0.1003 -0.3759  0.0341 -0.1082 -0.0996      0.0000 -0.1052 -0.0217 -0.1568  0.6883  0.0570 -0.1107 -0.0455 -0.3070 -0.1775
  o =  0.5584  v = -0.1424 -0.2795 -0.0762  0.1893  0.0041  0.3627 -0.1492  0.0027  0.1058  0.4114      0.0000  0.1822 -0.0358  0.2244  0.2101 -0.2671  0.1091 -0.0200 -0.0502  0.5573
  o =  0.6092  v = -0.3991 -0.2057 -0.0085  0.0859  0.0020 -0.0218  0.0679 -0.2944 -0.0035  0.0227      0.0000 -0.0631  0.0281 -0.1973 -0.1522  0.0635 -0.0009  0.7882  0.0806  0.0077
  o =  0.6101  v = -0.6358  0.0785 -0.2335  0.0105  0.0024 -0.0792  0.0048  0.1281 -0.0701  0.1046      0.0000  0.0854  0.4033  0.1074 -0.2526  0.2602 -0.0685 -0.3396  0.2501  0.0282
  o =  0.6104  v = -0.4670  0.0255  0.4463 -0.0850 -0.0054 -0.1373  0.2480  0.0759  0.1368 -0.1398      0.0000 -0.0415 -0.5033  0.0752 -0.1916 -0.3109  0.1328 -0.1810 -0.0572  0.0525
  o =  0.6115  v = -0.1556  0.1710 -0.3618 -0.0473  0.0031  0.7257  0.1045 -0.0227 -0.1194 -0.1101      0.0000 -0.0561 -0.1977 -0.1387 -0.0764 -0.2345 -0.1164 -0.0494 -0.0305 -0.3314
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5977  0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0002  0.0000  0.0194
  0.0000  0.5226 -0.0000 -0.0001  0.0002     -0.0000 -0.0000  0.0001  0.0481  0.0006
 -0.0000 -0.0000  0.5996 -0.0001 -0.0000     -0.0002 -0.0001 -0.0000 -0.0001 -0.0001
 -0.0000 -0.0001 -0.0001  0.5225  0.0002     -0.0000 -0.0481  0.0001  0.0000 -0.0001
  0.0000  0.0002 -0.0000  0.0002  0.5326     -0.0194 -0.0006  0.0001  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000 -0.0000 -0.0000     -0.0001 -0.0000 -0.0000 -0.0096  0.0000
 -0.0098 -0.0016  0.0000  0.0000  0.0001     -0.0000 -0.0004 -0.0166  0.0001 -0.0534
 -0.0001  0.0001 -0.0002 -0.0164  0.0001      0.0000  0.0164  0.0002 -0.0000  0.0000
 -0.0000  0.0001  0.0168 -0.0016 -0.0536      0.0097  0.0001  0.0001 -0.0003  0.0000
  0.0000 -0.0000  0.0000  0.0535 -0.0015      0.0001  0.0533  0.0000 -0.0000 -0.0003
 
spin component  3
 
 -0.0001 -0.0098 -0.0001 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0016  0.0001  0.0001 -0.0000      0.0000  0.0004 -0.0164 -0.0001 -0.0533
  0.0000  0.0000 -0.0002  0.0168  0.0000      0.0000  0.0166 -0.0002 -0.0001 -0.0000
 -0.0000  0.0000 -0.0164 -0.0016  0.0535      0.0096 -0.0001  0.0000  0.0003  0.0000
 -0.0000  0.0001  0.0001 -0.0536 -0.0015     -0.0000  0.0534 -0.0000 -0.0000  0.0003
 
spin component  4
 
  0.5978 -0.0000 -0.0001  0.0001  0.0000      0.0000 -0.0001  0.0003  0.0000 -0.0196
 -0.0000  0.5286  0.0000 -0.0002 -0.0001      0.0001  0.0000  0.0000 -0.0501  0.0006
 -0.0001  0.0000  0.6002  0.0001  0.0001     -0.0003 -0.0000  0.0000  0.0000  0.0000
  0.0001 -0.0002  0.0001  0.5282 -0.0001     -0.0000  0.0501 -0.0000 -0.0000 -0.0002
  0.0000 -0.0001  0.0001 -0.0001  0.5373      0.0196 -0.0006 -0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4240  v = -0.0002 -0.1664  0.0002 -0.5448  0.1440  0.0005  0.0006 -0.0002  0.1365  0.5144      0.0000 -0.5459 -0.0002  0.1668  0.0032  0.0028 -0.1444  0.0006  0.0050 -0.1572
  o =  0.4251  v =  0.0008 -0.1284  0.0000  0.0584  0.0545  0.0009  0.5561 -0.0002  0.0563 -0.0542      0.0000  0.0588 -0.0006  0.1382  0.5545 -0.0008 -0.0539  0.0005  0.5603 -0.1219
  o =  0.5578  v =  0.0540  0.6131  0.0144 -0.1235 -0.0019 -0.0184  0.0425 -0.0974 -0.0140  0.0024      0.0000  0.1259  0.0092  0.5936 -0.0790 -0.0021 -0.0163  0.4670  0.0254 -0.0187
  o =  0.5630  v = -0.0106 -0.0082  0.5329 -0.0582 -0.0016 -0.0150 -0.0657 -0.0058 -0.5805 -0.1097      0.0000 -0.0344 -0.0524 -0.0243  0.0141  0.0858 -0.5861 -0.0126  0.0527 -0.0182
  o =  0.5669  v =  0.5427  0.0759 -0.0082 -0.0094  0.0000 -0.2665  0.2480  0.0113  0.0071 -0.0407      0.0000 -0.0303 -0.0457 -0.1994 -0.5734  0.0353  0.0071 -0.0583  0.3249 -0.2888
  o =  0.5688  v = -0.2871  0.2751 -0.0383 -0.0418  0.0006 -0.5575 -0.2097 -0.0097  0.0342 -0.0733      0.0000 -0.0258 -0.0751 -0.2512  0.2827  0.0731  0.0356  0.0170 -0.0678 -0.5625
  o =  0.6129  v =  0.1101 -0.3450  0.0529  0.0582 -0.0022 -0.0490 -0.0526 -0.1474  0.0246  0.0039      0.0000 -0.0539  0.0525 -0.3143  0.0588  0.0053  0.0230  0.8518 -0.0015  0.0323
  o =  0.6148  v = -0.0360 -0.0215  0.0517 -0.0356 -0.0002 -0.1511 -0.3592  0.0654  0.0256 -0.0243      0.0000  0.0132  0.8182  0.0592 -0.0291 -0.0413  0.0242 -0.0539  0.3866  0.0912
  o =  0.6161  v = -0.7043  0.0483  0.0383 -0.0058 -0.0014  0.3376  0.2040 -0.0176  0.0186 -0.0310      0.0000 -0.0248  0.0294 -0.1562 -0.4448 -0.0490  0.0168  0.1152  0.2416 -0.2119
  o =  0.6175  v =  0.3326  0.2280  0.0641 -0.0384 -0.0016  0.6708 -0.1854  0.0075  0.0357 -0.0700      0.0000 -0.0280  0.1400 -0.2092  0.2270 -0.1015  0.0336 -0.0103 -0.0385 -0.4610
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5982 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0001  0.0000  0.0186
 -0.0000  0.5205 -0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000  0.0388 -0.0003
 -0.0001 -0.0000  0.6004 -0.0000  0.0000     -0.0001  0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5206 -0.0001     -0.0000 -0.0388 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0000 -0.0001  0.5306     -0.0186  0.0003  0.0000 -0.0000  0.0000
 
spin component  2
 
  0.0000  0.0093  0.0000  0.0000 -0.0001     -0.0000  0.0000  0.0001 -0.0093  0.0000
 -0.0093  0.0004  0.0000  0.0000 -0.0000      0.0000  0.0001 -0.0157  0.0000 -0.0460
 -0.0001  0.0001 -0.0001 -0.0157  0.0000      0.0001  0.0157 -0.0001  0.0000 -0.0001
  0.0000 -0.0000  0.0156  0.0003 -0.0459      0.0093 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0000  0.0457  0.0004     -0.0000  0.0459  0.0000 -0.0001  0.0001
 
spin component  3
 
  0.0000 -0.0093 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0093  0.0000
  0.0093  0.0004  0.0001 -0.0000 -0.0000     -0.0000 -0.0001 -0.0157  0.0000 -0.0459
  0.0000  0.0000 -0.0001  0.0156 -0.0000     -0.0001  0.0157  0.0001 -0.0000 -0.0000
  0.0000  0.0000 -0.0157  0.0003  0.0457      0.0093 -0.0000 -0.0000 -0.0000  0.0001
 -0.0001 -0.0000  0.0000 -0.0459  0.0004     -0.0000  0.0460  0.0001 -0.0000 -0.0001
 
spin component  4
 
  0.5980 -0.0000 -0.0001 -0.0001 -0.0000     -0.0000 -0.0000  0.0001 -0.0000 -0.0184
 -0.0000  0.5186 -0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0001 -0.0383 -0.0003
 -0.0001 -0.0000  0.6002  0.0000 -0.0000     -0.0001  0.0001  0.0000  0.0000 -0.0000
 -0.0001 -0.0001  0.0000  0.5187  0.0000      0.0000  0.0383 -0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.0000  0.5285      0.0184  0.0003  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4358  v =  0.0024 -0.0378 -0.0001 -0.0183 -0.0205  0.0001  0.5820  0.0003 -0.0206  0.0186      0.0000 -0.0185  0.0002  0.0359  0.5634  0.0002  0.0216 -0.0001  0.5809 -0.0373
  o =  0.4363  v = -0.0003 -0.5779 -0.0002  0.0033 -0.0175  0.0012 -0.0377  0.0000 -0.0178 -0.0037      0.0000  0.0046  0.0001  0.5765 -0.0358 -0.0002  0.0169 -0.0001 -0.0390 -0.5731
  o =  0.5477  v =  0.0007  0.0007 -0.0202 -0.0176  0.0018 -0.0071 -0.6505 -0.0112  0.0350 -0.0028      0.0000  0.0140 -0.3858 -0.0138  0.0005  0.0033  0.0356 -0.0057  0.6511 -0.0164
  o =  0.5496  v = -0.0083  0.6447  0.0094 -0.0157 -0.0003  0.0013 -0.0153 -0.0127 -0.0157  0.0068      0.0000  0.0209 -0.0032  0.6488  0.0174 -0.0025 -0.0163  0.4016  0.0005  0.0024
  o =  0.5603  v =  0.1817 -0.3014 -0.0020  0.1224 -0.0012  0.4476  0.1101  0.0037  0.0026  0.2406      0.0000  0.1168 -0.0098  0.3040 -0.2517 -0.1769  0.0010  0.0002  0.1337  0.6100
  o =  0.5613  v = -0.4902 -0.1267 -0.0031  0.0453 -0.0008  0.1738 -0.3216  0.0023  0.0021  0.0901      0.0000  0.0433 -0.0038  0.1006  0.6572 -0.0668  0.0012 -0.0137 -0.3128  0.2311
  o =  0.6097  v =  0.0401  0.0575  0.7973 -0.0092  0.0008  0.0111  0.1165  0.0333  0.2359  0.0033      0.0000  0.0131 -0.4250  0.0512  0.0205  0.0024  0.2368 -0.1735 -0.1369 -0.0069
  o =  0.6100  v =  0.0380  0.1156 -0.1591 -0.2533  0.0037  0.0330  0.0167  0.8302 -0.0480  0.0092      0.0000  0.2617 -0.0847  0.0959  0.0164  0.0188 -0.0435 -0.3376 -0.0329 -0.0192
  o =  0.6116  v =  0.1320  0.1939 -0.0041 -0.0154 -0.0001  0.8404 -0.0325 -0.0283 -0.0026 -0.0461      0.0000 -0.0304  0.0144 -0.2180  0.0630 -0.0938 -0.0022  0.0400 -0.0296 -0.4129
  o =  0.6122  v =  0.8403 -0.0409 -0.0315  0.0142 -0.0004 -0.1294 -0.2139 -0.0343 -0.0082  0.0072      0.0000 -0.0074  0.0221  0.0270  0.4248  0.0130 -0.0088  0.0132 -0.2010  0.0689
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5986 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001  0.0000  0.0179
 -0.0000  0.5194  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000  0.0345 -0.0002
 -0.0001  0.0000  0.6013 -0.0000 -0.0000      0.0001  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5190 -0.0001     -0.0000 -0.0345  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000 -0.0001  0.5284     -0.0179  0.0002  0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0091  0.0001 -0.0000 -0.0000      0.0001  0.0000 -0.0001 -0.0091 -0.0000
 -0.0089  0.0002 -0.0000  0.0000  0.0001      0.0000 -0.0005 -0.0152  0.0000 -0.0401
  0.0001 -0.0000 -0.0001 -0.0154 -0.0000     -0.0001  0.0154 -0.0000 -0.0001 -0.0000
 -0.0000  0.0001  0.0153  0.0002 -0.0400      0.0090 -0.0000 -0.0000 -0.0005  0.0001
 -0.0001 -0.0000  0.0000  0.0399  0.0002      0.0000  0.0396  0.0000 -0.0000 -0.0006
 
spin component  3
 
 -0.0001 -0.0089  0.0001 -0.0000 -0.0001     -0.0001 -0.0000  0.0001 -0.0090 -0.0000
  0.0091  0.0002 -0.0000  0.0001 -0.0000     -0.0000  0.0005 -0.0154  0.0000 -0.0396
  0.0001 -0.0000 -0.0001  0.0153  0.0000      0.0001  0.0152  0.0000  0.0000 -0.0000
 -0.0000  0.0000 -0.0154  0.0002  0.0399      0.0091 -0.0000  0.0001  0.0005  0.0000
 -0.0000  0.0001 -0.0000 -0.0400  0.0002      0.0000  0.0401  0.0000 -0.0001  0.0006
 
spin component  4
 
  0.5981 -0.0000  0.0001  0.0000  0.0001     -0.0000 -0.0000  0.0001  0.0000 -0.0177
 -0.0000  0.5125 -0.0001 -0.0002  0.0000      0.0000  0.0000 -0.0000 -0.0316 -0.0001
  0.0001 -0.0001  0.6007 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000  0.0001
  0.0000 -0.0002 -0.0000  0.5124  0.0001     -0.0000  0.0316  0.0000 -0.0000 -0.0004
  0.0001  0.0000 -0.0000  0.0001  0.5229      0.0177  0.0001 -0.0001  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4432  v =  0.0038 -0.0259  0.0001 -0.0250  0.0097  0.0001  0.5875  0.0001  0.0110  0.0245      0.0000 -0.0219 -0.0003  0.0253  0.5520 -0.0001 -0.0099  0.0003  0.5883 -0.0268
  o =  0.4444  v = -0.0005 -0.5329 -0.0002 -0.2103 -0.0108  0.0010 -0.0346  0.0003 -0.0127  0.2120      0.0000 -0.2084 -0.0001  0.5358 -0.0300  0.0007  0.0162  0.0004 -0.0333 -0.5410
  o =  0.5368  v =  0.0042 -0.0060 -0.2330 -0.0074  0.0015  0.0037 -0.4519  0.0011  0.4908 -0.0245      0.0000 -0.0143 -0.2152  0.0004 -0.0091  0.0113  0.4921 -0.0013  0.4592  0.0095
  o =  0.5452  v = -0.0203  0.3589 -0.0005  0.5550  0.0004 -0.0030 -0.0134  0.3081  0.0018  0.0076      0.0000 -0.5511  0.0027  0.3514  0.0392 -0.0030  0.0034  0.1962 -0.0202 -0.0056
  o =  0.5525  v =  0.0842 -0.0768  0.0093 -0.3445 -0.0019  0.1033  0.0858  0.0053 -0.0145 -0.6971      0.0000 -0.3615  0.0104  0.0976 -0.1466  0.4116 -0.0155  0.0056  0.0527  0.1723
  o =  0.5552  v = -0.4402 -0.0328 -0.0021 -0.0944 -0.0007  0.0206 -0.3423 -0.0165  0.0032 -0.1402      0.0000 -0.0431 -0.0002 -0.0000  0.7299  0.0859  0.0030 -0.0098 -0.3398  0.0336
  o =  0.6084  v =  0.1232  0.1243 -0.6941  0.0856 -0.0016  0.4962 -0.0283 -0.0813 -0.1624  0.1240      0.0000  0.0403  0.0216 -0.0702  0.0489  0.3189 -0.1637 -0.0994 -0.0183 -0.1917
  o =  0.6087  v = -0.2651 -0.1012 -0.5768 -0.1027  0.0006 -0.2895  0.1154  0.0014 -0.1381 -0.2034      0.0000 -0.1049 -0.2637  0.0153 -0.1085 -0.5192 -0.1374  0.1572 -0.0115  0.1132
  o =  0.6092  v = -0.2477 -0.0479  0.0282 -0.2039 -0.0011  0.2430  0.0475  0.7833  0.0075  0.0253      0.0000  0.2304 -0.0007 -0.1447 -0.1022  0.0618  0.0065  0.3447  0.0483 -0.0945
  o =  0.6098  v =  0.8074 -0.0680 -0.0757 -0.1109 -0.0001 -0.0958 -0.1396  0.2514 -0.0176 -0.0813      0.0000  0.0305 -0.0901 -0.0298  0.3373 -0.1964 -0.0173  0.1715 -0.1826  0.0374
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6032  0.0001 -0.0001  0.0001  0.0000      0.0000  0.0000  0.0000 -0.0001  0.0200
  0.0001  0.5434  0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0858 -0.0001
 -0.0001  0.0000  0.6044  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
  0.0001 -0.0000  0.0000  0.5437 -0.0002      0.0001 -0.0858  0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0001 -0.0002  0.5436     -0.0200  0.0001 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0002  0.0105 -0.0001  0.0001  0.0001      0.0000 -0.0000  0.0002 -0.0105  0.0001
 -0.0102 -0.0008 -0.0000  0.0001 -0.0010      0.0000 -0.0001 -0.0176  0.0000 -0.0808
 -0.0000  0.0001 -0.0002 -0.0176  0.0001     -0.0001  0.0177 -0.0002  0.0000 -0.0000
 -0.0000 -0.0002  0.0177 -0.0010 -0.0804      0.0102 -0.0003 -0.0000 -0.0002 -0.0010
 -0.0001  0.0011 -0.0001  0.0820 -0.0006      0.0000  0.0819 -0.0001  0.0011 -0.0000
 
spin component  3
 
 -0.0002 -0.0102 -0.0000 -0.0000 -0.0001     -0.0000 -0.0000  0.0001 -0.0102 -0.0000
  0.0105 -0.0008  0.0001 -0.0002  0.0011      0.0000  0.0001 -0.0177  0.0003 -0.0819
 -0.0001 -0.0000 -0.0002  0.0177 -0.0001     -0.0002  0.0176  0.0002  0.0000  0.0001
  0.0001  0.0001 -0.0176 -0.0010  0.0820      0.0105 -0.0000 -0.0000  0.0002 -0.0011
  0.0001 -0.0010  0.0001 -0.0804 -0.0006     -0.0001  0.0808  0.0000  0.0010  0.0000
 
spin component  4
 
  0.6029  0.0001 -0.0000  0.0000 -0.0001     -0.0000 -0.0000  0.0002  0.0001 -0.0197
  0.0001  0.5395 -0.0001 -0.0002  0.0001      0.0000  0.0000  0.0000 -0.0846  0.0002
 -0.0000 -0.0001  0.6040  0.0000 -0.0000     -0.0002 -0.0000  0.0000  0.0001  0.0001
  0.0000 -0.0002  0.0000  0.5394  0.0002     -0.0001  0.0846 -0.0001 -0.0000  0.0001
 -0.0001  0.0001 -0.0000  0.0002  0.5385      0.0197 -0.0002 -0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3753  v =  0.0008 -0.5333  0.0005 -0.2174 -0.0254  0.0029  0.0464  0.0002 -0.0278  0.2159      0.0000 -0.2125 -0.0003  0.5310  0.0452  0.0007  0.0265 -0.0004  0.0515 -0.5344
  o =  0.3769  v = -0.0027 -0.0558  0.0004  0.0070  0.0010  0.0006 -0.5817  0.0001 -0.0018 -0.0068      0.0000  0.0064 -0.0001  0.0517 -0.5619  0.0003 -0.0037 -0.0000 -0.5805 -0.0550
  o =  0.5855  v =  0.1771 -0.0973  0.1458 -0.1525 -0.0054  0.4010  0.0300  0.0796 -0.0718 -0.3842      0.0000 -0.2287 -0.0371  0.1316 -0.1013  0.6698 -0.0774  0.0219  0.0681  0.2300
  o =  0.5859  v =  0.7738  0.0253  0.1510  0.0274  0.0009 -0.1049  0.1775 -0.0437 -0.0784  0.0978      0.0000  0.0711 -0.0771 -0.0415 -0.4478 -0.1715 -0.0780 -0.0199  0.2524 -0.0638
  o =  0.5875  v = -0.2053 -0.0524  0.6991  0.0122  0.0002 -0.0907 -0.2121 -0.0092 -0.3339  0.0304      0.0000  0.0220 -0.3373 -0.1034  0.1108 -0.0574 -0.3352 -0.1816  0.1104 -0.0494
  o =  0.5888  v =  0.0420 -0.2725 -0.1688  0.1947 -0.0014 -0.0851 -0.0039  0.4744  0.0824 -0.0212      0.0000 -0.2135 -0.0310 -0.3158 -0.0183  0.0509  0.0815 -0.6780  0.0232 -0.0443
  o =  0.6378  v =  0.2121 -0.3062  0.0762  0.2253 -0.0026 -0.4311 -0.1884 -0.0571  0.0729  0.3399      0.0000  0.1174  0.0683  0.1951  0.2445  0.2940  0.0710  0.0544 -0.0500  0.4960
  o =  0.6386  v =  0.5087  0.1163  0.1376 -0.0991  0.0018  0.1579 -0.2357  0.0133  0.1331 -0.1665      0.0000 -0.0698 -0.0589 -0.0733  0.6019 -0.1416  0.1347 -0.0171 -0.3496 -0.1900
  o =  0.6414  v = -0.1486  0.0084  0.5238 -0.0449  0.0000 -0.0463  0.1864  0.0024  0.5479 -0.0738      0.0000 -0.0346 -0.0927  0.0670 -0.1891 -0.0618  0.5481 -0.0343 -0.0083  0.0585
  o =  0.6448  v =  0.0123  0.4571 -0.0287 -0.3023  0.0003 -0.0520 -0.0097  0.2935 -0.0271  0.0764      0.0000  0.3748 -0.0006  0.5241  0.0178  0.0539 -0.0282 -0.4232 -0.0115  0.0690
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6036 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0198
 -0.0001  0.5405 -0.0000 -0.0002  0.0000      0.0000  0.0000  0.0001  0.0840  0.0003
 -0.0001 -0.0000  0.6040 -0.0000 -0.0000      0.0000 -0.0001  0.0000  0.0001 -0.0001
 -0.0000 -0.0002 -0.0000  0.5402 -0.0005     -0.0000 -0.0840 -0.0001  0.0000  0.0001
 -0.0000  0.0000 -0.0000 -0.0005  0.5400     -0.0198 -0.0003  0.0001 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0103  0.0000  0.0001 -0.0000      0.0003 -0.0000 -0.0002 -0.0102 -0.0001
 -0.0103 -0.0009  0.0000 -0.0001 -0.0010      0.0001  0.0005 -0.0175 -0.0003 -0.0809
  0.0002  0.0000 -0.0003 -0.0175  0.0002     -0.0000  0.0176  0.0001  0.0000 -0.0000
 -0.0001  0.0003  0.0175 -0.0014 -0.0810      0.0103 -0.0001  0.0000  0.0004 -0.0010
  0.0000  0.0010  0.0001  0.0805 -0.0006     -0.0001  0.0807  0.0001  0.0011  0.0003
 
spin component  3
 
 -0.0002 -0.0103  0.0002 -0.0001  0.0000     -0.0003 -0.0001  0.0000 -0.0103  0.0001
  0.0103 -0.0009  0.0000  0.0003  0.0010      0.0000 -0.0005 -0.0176  0.0001 -0.0807
  0.0000  0.0000 -0.0003  0.0175  0.0001      0.0002  0.0175 -0.0001 -0.0000 -0.0001
  0.0001 -0.0001 -0.0175 -0.0014  0.0805      0.0102  0.0003 -0.0000 -0.0004 -0.0011
 -0.0000 -0.0010  0.0002 -0.0810 -0.0006      0.0001  0.0809  0.0000  0.0010 -0.0003
 
spin component  4
 
  0.6033  0.0001 -0.0002  0.0000 -0.0000      0.0000  0.0000 -0.0001  0.0000 -0.0199
  0.0001  0.5416  0.0001 -0.0000 -0.0003     -0.0000  0.0000  0.0001 -0.0848 -0.0001
 -0.0002  0.0001  0.6044 -0.0000 -0.0002      0.0001 -0.0001 -0.0000  0.0001  0.0000
  0.0000 -0.0000 -0.0000  0.5416  0.0002     -0.0000  0.0848 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0002  0.0002  0.5412      0.0199  0.0001 -0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3764  v = -0.0023  0.2746  0.0003  0.0630 -0.0429 -0.0016 -0.5029  0.0001 -0.0450 -0.0616      0.0000  0.0632 -0.0000 -0.2794 -0.4985 -0.0002  0.0425  0.0004 -0.5052  0.2692
  o =  0.3773  v =  0.0015  0.4981  0.0003  0.1059  0.0304 -0.0020  0.2828  0.0002  0.0322 -0.1006      0.0000  0.0992  0.0001 -0.4941  0.2787 -0.0003 -0.0277  0.0006  0.2780  0.4887
  o =  0.5856  v =  0.3854  0.2029  0.0548 -0.2092 -0.0046 -0.5145  0.1281 -0.1635 -0.0272 -0.2651      0.0000 -0.0492  0.0258 -0.0968 -0.2293  0.4527 -0.0348  0.0993  0.0989 -0.3064
  o =  0.5860  v =  0.6910 -0.0405  0.1226  0.1323  0.0037  0.2762  0.2049  0.0955 -0.0623  0.1655      0.0000  0.0300  0.0122  0.1126 -0.4094 -0.2774 -0.0566  0.0708  0.1961  0.1570
  o =  0.5877  v =  0.1338 -0.3431 -0.1442 -0.1943 -0.0033  0.1505 -0.0979 -0.3506  0.0660 -0.0609      0.0000  0.1373 -0.2915 -0.2652 -0.0670  0.1148  0.0610 -0.6421  0.1666  0.0839
  o =  0.5881  v = -0.1264  0.0153  0.7446 -0.1391  0.0032  0.0432 -0.1072 -0.3115 -0.3402  0.0231      0.0000  0.1639 -0.1625  0.0382  0.0688 -0.0540 -0.3393  0.0582  0.0428  0.0262
  o =  0.6376  v = -0.4378  0.2362 -0.0802 -0.0592  0.0036  0.3788  0.2697  0.0598 -0.0806 -0.0016      0.0000  0.0596 -0.0263 -0.1855 -0.4903  0.0026 -0.0783 -0.0275  0.2205 -0.4262
  o =  0.6378  v =  0.3656  0.1893  0.0692 -0.1583  0.0043  0.4140 -0.1936  0.1460  0.0678 -0.0335      0.0000  0.1249 -0.0185 -0.2853  0.4210 -0.0320  0.0705  0.0538 -0.2221 -0.4815
  o =  0.6414  v = -0.0682 -0.4523 -0.0029 -0.4558  0.0007 -0.1184  0.0040  0.3901  0.0043 -0.0953      0.0000  0.3658  0.0395 -0.3128 -0.0898 -0.0752  0.0016  0.3623  0.0908  0.1459
  o =  0.6426  v =  0.1002  0.0086 -0.5295 -0.0154 -0.0007 -0.0088 -0.0389  0.0395 -0.5813  0.0393      0.0000  0.0596 -0.0198  0.0164  0.1258  0.0279 -0.5822 -0.0096 -0.0817  0.0098
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5857  0.0001 -0.0001  0.0001 -0.0000     -0.0000  0.0001 -0.0002 -0.0001  0.0164
  0.0001  0.5340  0.0001  0.0001 -0.0000     -0.0001 -0.0000 -0.0002  0.0383  0.0005
 -0.0001  0.0001  0.5895  0.0001 -0.0000      0.0002  0.0002 -0.0000 -0.0000 -0.0000
  0.0001  0.0001  0.0001  0.5340  0.0004      0.0001 -0.0383  0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0000  0.0004  0.5407     -0.0164 -0.0005  0.0000 -0.0001 -0.0000
 
spin component  2
 
  0.0001  0.0082 -0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0084  0.0000
 -0.0083  0.0011 -0.0000 -0.0001 -0.0000     -0.0001 -0.0002 -0.0143  0.0004 -0.0350
 -0.0001  0.0001  0.0004 -0.0143 -0.0000      0.0001  0.0142  0.0001 -0.0001  0.0000
 -0.0000 -0.0000  0.0143  0.0022 -0.0351      0.0083  0.0005  0.0001 -0.0001 -0.0000
 -0.0000  0.0000 -0.0001  0.0351  0.0008      0.0000  0.0350 -0.0000  0.0001 -0.0001
 
spin component  3
 
  0.0001 -0.0083 -0.0001 -0.0000 -0.0000      0.0000  0.0001 -0.0001 -0.0083 -0.0000
  0.0082  0.0011  0.0001 -0.0000  0.0000      0.0000  0.0002 -0.0142 -0.0005 -0.0350
 -0.0000 -0.0000  0.0004  0.0143 -0.0001      0.0000  0.0143 -0.0001 -0.0001  0.0000
 -0.0000 -0.0001 -0.0143  0.0022  0.0351      0.0084 -0.0004  0.0001  0.0001 -0.0001
  0.0000 -0.0000 -0.0000 -0.0351  0.0008     -0.0000  0.0350 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.5859 -0.0000 -0.0002  0.0000 -0.0000      0.0000 -0.0000 -0.0002 -0.0000 -0.0163
 -0.0000  0.5341  0.0001  0.0000  0.0001      0.0000  0.0000 -0.0001 -0.0383  0.0005
 -0.0002  0.0001  0.5893 -0.0001  0.0001      0.0002  0.0001  0.0000 -0.0000  0.0000
  0.0000  0.0000 -0.0001  0.5342 -0.0005      0.0000  0.0383  0.0000 -0.0000  0.0001
 -0.0000  0.0001  0.0001 -0.0005  0.5409      0.0163 -0.0005 -0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4634  v =  0.0062  0.4122  0.0002 -0.0224  0.0433 -0.0069  0.4139 -0.0011  0.0480  0.0189      0.0000 -0.0187 -0.0005 -0.4285  0.3771  0.0001 -0.0493 -0.0016  0.4301  0.3742
  o =  0.4642  v = -0.0053  0.4266 -0.0006  0.0423  0.0132 -0.0055 -0.4242 -0.0003  0.0125 -0.0384      0.0000  0.0415 -0.0008 -0.4116 -0.3849 -0.0004 -0.0159  0.0003 -0.4077  0.3857
  o =  0.5578  v = -0.4911  0.2346 -0.0452 -0.0837 -0.0011 -0.2793 -0.3441 -0.0513  0.0464 -0.0721      0.0000  0.0225 -0.0802 -0.0664  0.5721  0.0610  0.0497  0.0729 -0.1714 -0.3299
  o =  0.5582  v =  0.2926  0.1422  0.0061 -0.1946 -0.0027 -0.4600  0.0821 -0.1059 -0.0069 -0.1872      0.0000  0.0283 -0.0562 -0.3271 -0.3414  0.1601 -0.0010 -0.0842  0.2119 -0.5353
  o =  0.5590  v =  0.1103  0.5347  0.1682  0.1722  0.0018 -0.0608 -0.0805  0.1419 -0.1795  0.0556      0.0000 -0.1286 -0.1367  0.4705 -0.1143 -0.0470 -0.1819  0.4756  0.2022 -0.0791
  o =  0.5592  v = -0.0846 -0.1631  0.4914  0.0331  0.0062 -0.0063  0.0366  0.0999 -0.5242 -0.1535      0.0000 -0.1922  0.0802 -0.1699  0.0966  0.1413 -0.5209 -0.1554 -0.1300 -0.0045
  o =  0.6003  v =  0.6015 -0.1087  0.0246 -0.0737 -0.0010 -0.4713 -0.1726  0.0010  0.0104 -0.1533      0.0000 -0.0677 -0.0006  0.1562  0.3692 -0.2537  0.0118 -0.0527 -0.1668  0.2907
  o =  0.6005  v =  0.5382  0.1342 -0.0034  0.0710  0.0020  0.5302 -0.1793  0.0231  0.0003  0.1732      0.0000  0.0913  0.0590 -0.1651  0.3228  0.2874  0.0008  0.0222 -0.1261 -0.3181
  o =  0.6026  v =  0.0365 -0.3019  0.0721 -0.0109 -0.0005 -0.0057  0.2294  0.0129  0.0356 -0.0128      0.0000 -0.0004 -0.5160 -0.3094  0.0233 -0.0228  0.0352  0.6446 -0.2611  0.0027
  o =  0.6031  v =  0.0332  0.1415 -0.4994  0.1958 -0.0010  0.0574  0.1845 -0.4501 -0.2303 -0.0186      0.0000 -0.2225 -0.4105  0.1054  0.0179 -0.0323 -0.2372 -0.2668 -0.1968 -0.0333
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5857 -0.0001 -0.0002  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0163
 -0.0001  0.5340 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000  0.0389 -0.0001
 -0.0002 -0.0000  0.5890 -0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0001  0.0000
  0.0000  0.0000 -0.0001  0.5339 -0.0001     -0.0000 -0.0389  0.0001  0.0000  0.0000
 -0.0000 -0.0000 -0.0000 -0.0001  0.5398     -0.0163  0.0001 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0004  0.0081  0.0000 -0.0000  0.0001     -0.0001 -0.0000 -0.0002 -0.0081 -0.0000
 -0.0083 -0.0003 -0.0001  0.0000 -0.0000     -0.0001 -0.0002 -0.0143 -0.0001 -0.0355
  0.0001  0.0000 -0.0002 -0.0143 -0.0000     -0.0001  0.0144  0.0001  0.0001  0.0000
  0.0000 -0.0000  0.0143 -0.0004 -0.0355      0.0082 -0.0001  0.0000 -0.0001 -0.0001
 -0.0000  0.0001  0.0000  0.0349 -0.0003     -0.0000  0.0349 -0.0000  0.0001 -0.0000
 
spin component  3
 
 -0.0004 -0.0083  0.0001  0.0000 -0.0000      0.0001  0.0001  0.0001 -0.0082  0.0000
  0.0081 -0.0003  0.0000 -0.0000  0.0001      0.0000  0.0002 -0.0144  0.0001 -0.0349
  0.0000 -0.0001 -0.0002  0.0143  0.0000      0.0002  0.0143 -0.0001 -0.0000  0.0000
 -0.0000  0.0000 -0.0143 -0.0004  0.0349      0.0081  0.0001 -0.0001  0.0001 -0.0001
  0.0001 -0.0000 -0.0000 -0.0355 -0.0003      0.0000  0.0355 -0.0000  0.0001  0.0000
 
spin component  4
 
  0.5859  0.0000 -0.0002  0.0000 -0.0000     -0.0000 -0.0000 -0.0001  0.0000 -0.0165
  0.0000  0.5352  0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0387 -0.0000
 -0.0002  0.0001  0.5895  0.0000 -0.0001      0.0001 -0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.5350  0.0001     -0.0000  0.0387 -0.0000  0.0000  0.0001
 -0.0000  0.0000 -0.0001  0.0001  0.5417      0.0165  0.0000  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4634  v =  0.0069 -0.0269  0.0002  0.0113  0.0327  0.0004  0.5888 -0.0008  0.0357 -0.0104      0.0000  0.0133 -0.0002  0.0315  0.5462 -0.0007 -0.0349  0.0005  0.5904 -0.0249
  o =  0.4638  v = -0.0004 -0.5692  0.0003  0.1797  0.0006  0.0072 -0.0320 -0.0006  0.0028 -0.1606      0.0000  0.1803  0.0001  0.5694 -0.0301 -0.0021  0.0005 -0.0003 -0.0284 -0.5083
  o =  0.5581  v = -0.5619 -0.0679 -0.0599 -0.0129 -0.0020  0.1181 -0.2969  0.0380  0.0592 -0.1191      0.0000 -0.0923  0.0016  0.0623  0.6475  0.1036  0.0568  0.0002 -0.2965  0.1452
  o =  0.5583  v = -0.1606  0.1473 -0.0225  0.1465  0.0063 -0.4517 -0.0853 -0.0229  0.0207  0.3868      0.0000  0.1946 -0.0049 -0.3145  0.1809 -0.3329  0.0275 -0.0806 -0.0795 -0.5241
  o =  0.5593  v =  0.0409 -0.4785 -0.0217  0.2575 -0.0022 -0.0018 -0.0910  0.2869  0.0222 -0.1019      0.0000 -0.3461 -0.1143 -0.4818 -0.0450  0.0862  0.0200 -0.4553  0.1375 -0.0030
  o =  0.5598  v = -0.0618 -0.0755  0.5475 -0.0957  0.0041  0.0090 -0.1179 -0.0887 -0.5605 -0.0055      0.0000  0.0953 -0.0819 -0.0645  0.0758 -0.0006 -0.5595 -0.0662  0.0486  0.0114
  o =  0.6002  v =  0.6741  0.1223  0.0273 -0.0394  0.0006  0.4219 -0.2021  0.0105  0.0159 -0.0752      0.0000 -0.0293  0.0099 -0.1169  0.4121 -0.1190  0.0167 -0.0025 -0.1871 -0.2637
  o =  0.6007  v =  0.4438 -0.1802  0.0205  0.0706 -0.0011 -0.6513 -0.1137 -0.0377  0.0106  0.1130      0.0000  0.0328 -0.0206  0.1820  0.2637  0.1855  0.0105 -0.0017 -0.1365  0.3954
  o =  0.6029  v = -0.0275 -0.0164  0.7321 -0.1683 -0.0017 -0.0062  0.0522  0.3616  0.3598  0.0126      0.0000  0.1772 -0.0933 -0.0137 -0.0149  0.0238  0.3579  0.0302 -0.0385  0.0044
  o =  0.6032  v = -0.0277  0.0944  0.3598  0.3447  0.0004  0.0372  0.0003 -0.7238  0.1736  0.0061      0.0000 -0.3411  0.0128  0.0742 -0.0149  0.0095  0.1763 -0.1803  0.0133 -0.0208
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6033  0.0001  0.0001 -0.0001  0.0001      0.0000  0.0001 -0.0000  0.0000  0.0200
  0.0001  0.5427 -0.0000 -0.0000  0.0002     -0.0001  0.0000 -0.0000  0.0848  0.0002
  0.0001 -0.0000  0.6046  0.0001 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0001
 -0.0001 -0.0000  0.0001  0.5429 -0.0004     -0.0000 -0.0848  0.0000 -0.0000 -0.0001
  0.0001  0.0002 -0.0000 -0.0004  0.5430     -0.0200 -0.0002 -0.0001  0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0104  0.0003  0.0000  0.0001     -0.0000  0.0001  0.0001 -0.0104  0.0001
 -0.0101 -0.0006 -0.0000  0.0001  0.0008     -0.0000  0.0001 -0.0175 -0.0003 -0.0803
 -0.0000 -0.0000  0.0000 -0.0175  0.0000     -0.0000  0.0175  0.0000  0.0001 -0.0000
  0.0001 -0.0002  0.0174 -0.0009 -0.0799      0.0101  0.0000 -0.0001 -0.0002  0.0009
  0.0000 -0.0009  0.0000  0.0815 -0.0006      0.0000  0.0814 -0.0001 -0.0009  0.0000
 
spin component  3
 
 -0.0002 -0.0101 -0.0000  0.0001  0.0000      0.0000  0.0000  0.0000 -0.0101 -0.0000
  0.0104 -0.0006 -0.0000 -0.0002 -0.0009     -0.0001 -0.0001 -0.0175 -0.0000 -0.0814
  0.0003 -0.0000  0.0000  0.0174  0.0000     -0.0001  0.0175 -0.0000  0.0001  0.0001
  0.0000  0.0001 -0.0175 -0.0009  0.0815      0.0104  0.0003 -0.0001  0.0002  0.0009
  0.0001  0.0008  0.0000 -0.0799 -0.0006     -0.0001  0.0803  0.0000 -0.0009 -0.0000
 
spin component  4
 
  0.6030  0.0000  0.0001  0.0001 -0.0000     -0.0000 -0.0001  0.0001 -0.0000 -0.0197
  0.0000  0.5389 -0.0000  0.0001  0.0001      0.0001 -0.0000  0.0000 -0.0838 -0.0001
  0.0001 -0.0000  0.6038  0.0000 -0.0001     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0001  0.0001  0.0000  0.5386  0.0002      0.0000  0.0838  0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0001  0.0002  0.5378      0.0197  0.0001  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.3760  v = -0.0004  0.5628 -0.0002  0.0880 -0.0252 -0.0025 -0.0767 -0.0001 -0.0251 -0.0908      0.0000  0.0924  0.0004 -0.5639 -0.0752 -0.0001  0.0265  0.0001 -0.0803  0.5664
  o =  0.3775  v =  0.0023  0.0674 -0.0002  0.0467 -0.0824 -0.0002  0.5720  0.0001 -0.0872 -0.0486      0.0000  0.0482  0.0002 -0.0630  0.5529 -0.0007  0.0834  0.0002  0.5708  0.0679
  o =  0.5854  v = -0.0404  0.2473  0.0436  0.1494  0.0011 -0.7152  0.0293  0.0894 -0.0196  0.2078      0.0000  0.0583  0.0787 -0.1707  0.0201 -0.3548 -0.0172  0.0784 -0.0475 -0.4186
  o =  0.5858  v =  0.7959  0.0335 -0.1535  0.0027 -0.0007 -0.0446  0.2060  0.0038  0.0832  0.0040      0.0000  0.0006 -0.0354  0.0006 -0.4691 -0.0059  0.0823  0.0333  0.2453 -0.0320
  o =  0.5873  v =  0.1691 -0.0142  0.7715 -0.0106  0.0015  0.0681  0.1448 -0.0436 -0.3809  0.0161      0.0000  0.0297  0.2050  0.0276 -0.0917 -0.0316 -0.3799  0.0165 -0.0597  0.0415
  o =  0.5883  v =  0.0368 -0.3527  0.0212  0.1489  0.0016  0.0090 -0.0019  0.2629 -0.0133  0.0672      0.0000 -0.0843 -0.0202 -0.3515 -0.0156 -0.1273 -0.0104 -0.7936  0.0199  0.0026
  o =  0.6371  v =  0.2582 -0.3285 -0.0865 -0.1334  0.0021 -0.4938 -0.1389  0.0520 -0.0805 -0.1647      0.0000 -0.0331 -0.0049  0.2340  0.2905 -0.1454 -0.0789  0.0468 -0.1460  0.5564
  o =  0.6378  v =  0.4822  0.1367 -0.1674  0.1053 -0.0003  0.2446 -0.2144 -0.0551 -0.1622  0.1014      0.0000 -0.0019 -0.0596 -0.1507  0.5601  0.0890 -0.1630  0.0094 -0.3291 -0.2852
  o =  0.6401  v = -0.1855 -0.0029 -0.5175  0.0040 -0.0002 -0.0160  0.2616  0.0053 -0.5248  0.0176      0.0000  0.0167 -0.1481  0.0134 -0.2279  0.0141 -0.5258 -0.0051 -0.0445  0.0156
  o =  0.6434  v =  0.0363  0.4723 -0.0074 -0.4254  0.0013  0.0348 -0.0208  0.3417 -0.0071 -0.0835      0.0000  0.3444 -0.0023  0.4273  0.0450 -0.0643 -0.0091 -0.3985 -0.0269 -0.0474
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6033 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000  0.0002 -0.0000  0.0197
 -0.0001  0.5397  0.0000  0.0001  0.0001      0.0000  0.0000  0.0001  0.0829 -0.0000
 -0.0000  0.0000  0.6043 -0.0000 -0.0000     -0.0002 -0.0001 -0.0000  0.0001  0.0000
 -0.0000  0.0001 -0.0000  0.5396 -0.0003      0.0000 -0.0829 -0.0001  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0003  0.5393     -0.0197  0.0000 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0003  0.0101  0.0001 -0.0000 -0.0001      0.0000  0.0001  0.0000 -0.0101  0.0001
 -0.0102 -0.0009  0.0000 -0.0001  0.0009     -0.0001  0.0005 -0.0173 -0.0001 -0.0805
  0.0000 -0.0001 -0.0000 -0.0174  0.0001      0.0000  0.0174 -0.0001  0.0000 -0.0000
  0.0001  0.0002  0.0173 -0.0013 -0.0805      0.0103 -0.0004 -0.0000  0.0003  0.0008
  0.0001 -0.0009  0.0001  0.0798 -0.0007      0.0000  0.0801  0.0000 -0.0009  0.0002
 
spin component  3
 
 -0.0003 -0.0102  0.0000  0.0001  0.0001     -0.0000  0.0001 -0.0000 -0.0103 -0.0000
  0.0101 -0.0009 -0.0001  0.0002 -0.0009     -0.0001 -0.0005 -0.0174  0.0004 -0.0801
  0.0001  0.0000 -0.0000  0.0173  0.0001     -0.0000  0.0173  0.0001  0.0000 -0.0000
 -0.0000 -0.0001 -0.0174 -0.0013  0.0798      0.0101  0.0001 -0.0000 -0.0003  0.0009
 -0.0001  0.0009  0.0001 -0.0805 -0.0007     -0.0001  0.0805  0.0000 -0.0008 -0.0002
 
spin component  4
 
  0.6032  0.0000 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0001  0.0001 -0.0198
  0.0000  0.5407 -0.0000 -0.0000 -0.0003     -0.0000 -0.0000  0.0001 -0.0838  0.0003
 -0.0000 -0.0000  0.6046  0.0000 -0.0000      0.0001 -0.0001  0.0000  0.0000 -0.0002
 -0.0000 -0.0000  0.0000  0.5407  0.0005     -0.0001  0.0838 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003 -0.0000  0.0005  0.5406      0.0198 -0.0003  0.0002 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3768  v = -0.0023  0.1871 -0.0001  0.0970 -0.0380 -0.0003 -0.5363 -0.0001 -0.0356 -0.0973      0.0000  0.1015 -0.0001 -0.1923 -0.5317 -0.0005  0.0406  0.0002 -0.5383  0.1854
  o =  0.3783  v =  0.0011  0.3788  0.0000  0.3824 -0.0510 -0.0015  0.2080  0.0003 -0.0478 -0.3780      0.0000  0.3854  0.0001 -0.3795  0.2070 -0.0010  0.0516  0.0001  0.2046  0.3732
  o =  0.5854  v = -0.5202 -0.1031  0.1030 -0.2073 -0.0058  0.1041 -0.1623 -0.0687 -0.0529 -0.3483      0.0000 -0.1334 -0.0130 -0.0348  0.3153  0.5789 -0.0588 -0.1244 -0.1483  0.0676
  o =  0.5856  v = -0.6042  0.0180  0.0240  0.1688  0.0033 -0.0879 -0.1482  0.0328 -0.0157  0.3145      0.0000  0.1390  0.0592 -0.0260  0.3567 -0.5304 -0.0122 -0.0126 -0.2025 -0.0469
  o =  0.5874  v = -0.1031  0.4018 -0.0723  0.0192  0.0013 -0.0415  0.0048  0.1004  0.0330 -0.0636      0.0000 -0.0787  0.0712  0.3789  0.0560  0.1200  0.0323  0.7921 -0.0632 -0.0242
  o =  0.5879  v = -0.0947 -0.0177 -0.7279  0.0328  0.0040 -0.0487 -0.1975  0.0924  0.3409 -0.0222      0.0000 -0.0587 -0.3679 -0.0452  0.0492  0.0473  0.3463 -0.0643  0.1515 -0.0270
  o =  0.6364  v = -0.4061  0.2371  0.0821  0.2366 -0.0031  0.3233  0.2511 -0.1062  0.0757  0.2798      0.0000  0.0401 -0.0316 -0.1160 -0.4470  0.2520  0.0737 -0.0657  0.1947 -0.3552
  o =  0.6372  v = -0.4127 -0.1944  0.0606 -0.2163  0.0039 -0.2982  0.1956  0.0719  0.0577 -0.2981      0.0000 -0.0780  0.0390  0.1428 -0.4725 -0.2599  0.0605  0.0266  0.2745  0.3441
  o =  0.6400  v = -0.0182 -0.4043  0.0776 -0.2795 -0.0016  0.0602  0.0129  0.3402  0.0827  0.1373      0.0000  0.4099  0.0008 -0.4757 -0.0220  0.1127  0.0802  0.4325  0.0152 -0.0751
  o =  0.6410  v = -0.0959 -0.0598 -0.5369 -0.0082  0.0020 -0.0156  0.1121  0.0431 -0.5702  0.0675      0.0000  0.0806 -0.0503 -0.0426 -0.1207  0.0560 -0.5686  0.0483  0.0050  0.0188
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5862  0.0001 -0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0001 -0.0000  0.0161
  0.0001  0.5366  0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0002  0.0369  0.0008
 -0.0000  0.0000  0.5889  0.0000 -0.0000      0.0001  0.0002  0.0000  0.0001 -0.0001
  0.0000 -0.0002  0.0000  0.5366  0.0004      0.0000 -0.0369 -0.0001  0.0000  0.0001
 -0.0001 -0.0000 -0.0000  0.0004  0.5406     -0.0161 -0.0008  0.0001 -0.0001 -0.0000
 
spin component  2
 
  0.0002  0.0082  0.0001  0.0000 -0.0001     -0.0001 -0.0000 -0.0001 -0.0082 -0.0000
 -0.0083  0.0008  0.0000  0.0000 -0.0001      0.0001 -0.0002 -0.0143  0.0004 -0.0338
 -0.0000  0.0000  0.0002 -0.0142 -0.0001     -0.0001  0.0142 -0.0001  0.0000  0.0000
  0.0000 -0.0000  0.0143  0.0016 -0.0339      0.0083  0.0003 -0.0000 -0.0001 -0.0001
  0.0000  0.0001 -0.0001  0.0339  0.0005      0.0000  0.0338  0.0000  0.0001 -0.0000
 
spin component  3
 
  0.0002 -0.0083 -0.0000  0.0000  0.0000      0.0001 -0.0001  0.0001 -0.0083 -0.0000
  0.0082  0.0008  0.0000 -0.0000  0.0001      0.0000  0.0002 -0.0142 -0.0003 -0.0338
  0.0001  0.0000  0.0002  0.0143 -0.0001      0.0001  0.0143  0.0001  0.0000 -0.0000
  0.0000  0.0000 -0.0142  0.0016  0.0339      0.0082 -0.0004 -0.0000  0.0001 -0.0001
 -0.0001 -0.0001 -0.0001 -0.0339  0.0005      0.0000  0.0338 -0.0000  0.0001  0.0000
 
spin component  4
 
  0.5866 -0.0001 -0.0002  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0161
 -0.0001  0.5366  0.0000 -0.0002  0.0001     -0.0000  0.0000 -0.0001 -0.0367  0.0009
 -0.0002  0.0000  0.5890 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0001
  0.0000 -0.0002 -0.0001  0.5369 -0.0004      0.0000  0.0367  0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0004  0.5409      0.0161 -0.0009 -0.0001 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4681  v = -0.0024 -0.5373 -0.0001  0.1819  0.0363  0.0068 -0.1429  0.0001  0.0329 -0.1712      0.0000  0.1855  0.0009  0.5443 -0.1353 -0.0024 -0.0378  0.0007 -0.1612 -0.4997
  o =  0.4683  v =  0.0069 -0.1395 -0.0001  0.0785 -0.0135  0.0010  0.5718 -0.0002 -0.0152 -0.0734      0.0000  0.0808  0.0007  0.1202  0.5326 -0.0008  0.0158 -0.0012  0.5657 -0.1287
  o =  0.5581  v =  0.5220  0.0952 -0.0123  0.0859  0.0037 -0.1849  0.3155 -0.0013  0.0123  0.1930      0.0000  0.0903  0.0310 -0.1018 -0.6172 -0.1638  0.0124 -0.0066  0.2506 -0.2226
  o =  0.5584  v =  0.2470 -0.2316  0.0059 -0.1856 -0.0004  0.3915  0.1590  0.0034 -0.0121 -0.4073      0.0000 -0.1891  0.0221  0.1992 -0.2883  0.3418 -0.0065 -0.0153  0.1137  0.4659
  o =  0.5596  v =  0.0381 -0.0617  0.1103 -0.0450  0.0018 -0.0101 -0.5447 -0.0380 -0.1136 -0.0154      0.0000  0.0298 -0.5515 -0.0539 -0.0447  0.0126 -0.1129 -0.0521  0.5860 -0.0139
  o =  0.5597  v =  0.0128  0.5591  0.0332  0.1183  0.0012  0.0112 -0.0395  0.1160 -0.0383 -0.0028      0.0000 -0.1254 -0.0550  0.5724 -0.0117  0.0068 -0.0395  0.5496  0.0722  0.0122
  o =  0.6002  v = -0.6997  0.1095 -0.0321 -0.0037  0.0007  0.4160  0.2061  0.0200 -0.0173  0.0172      0.0000  0.0192 -0.0239 -0.1184 -0.4130  0.0302 -0.0159  0.0048  0.1850 -0.2446
  o =  0.6007  v =  0.4156  0.2072 -0.0026 -0.0163 -0.0029  0.6971 -0.1351  0.0621 -0.0009  0.0326      0.0000  0.0477  0.0292 -0.1818  0.2426  0.0568 -0.0027 -0.0239 -0.1015 -0.4073
  o =  0.6026  v =  0.0416 -0.2700 -0.1534 -0.0320 -0.0024  0.0213  0.2626  0.0343 -0.0746 -0.0331      0.0000 -0.0007 -0.5638 -0.2874  0.0210 -0.0618 -0.0754  0.5729 -0.2913 -0.0092
  o =  0.6030  v = -0.0270 -0.1539  0.5443 -0.2462 -0.0037 -0.0220 -0.0882  0.4992  0.2614 -0.0170      0.0000  0.2390  0.1945 -0.1414 -0.0190 -0.0222  0.2644  0.3109  0.1002  0.0120
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5862  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0002 -0.0000  0.0161
  0.0000  0.5366 -0.0000 -0.0002  0.0000     -0.0000 -0.0000  0.0001  0.0372 -0.0001
 -0.0001 -0.0000  0.5893 -0.0000  0.0000      0.0002 -0.0001  0.0000  0.0001 -0.0000
  0.0000 -0.0002 -0.0000  0.5364 -0.0001      0.0000 -0.0372 -0.0001  0.0000  0.0000
  0.0000  0.0000  0.0000 -0.0001  0.5401     -0.0161  0.0001  0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0081 -0.0001  0.0000  0.0000      0.0000  0.0001 -0.0000 -0.0081 -0.0001
 -0.0083 -0.0002 -0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0142 -0.0001 -0.0341
  0.0001 -0.0001  0.0002 -0.0143 -0.0000     -0.0000  0.0143  0.0002  0.0001 -0.0001
  0.0000 -0.0000  0.0142 -0.0002 -0.0340      0.0084  0.0000 -0.0000 -0.0000 -0.0001
 -0.0000  0.0001 -0.0000  0.0336 -0.0001     -0.0000  0.0336 -0.0000  0.0001  0.0001
 
spin component  3
 
  0.0000 -0.0083  0.0001  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0084  0.0000
  0.0081 -0.0002 -0.0001 -0.0000  0.0001     -0.0001 -0.0000 -0.0143 -0.0000 -0.0336
 -0.0001 -0.0000  0.0002  0.0142 -0.0000      0.0000  0.0142 -0.0002  0.0000  0.0000
  0.0000 -0.0001 -0.0143 -0.0002  0.0336      0.0081  0.0001 -0.0001  0.0000 -0.0001
  0.0000 -0.0001 -0.0000 -0.0340 -0.0001      0.0001  0.0341  0.0001  0.0001 -0.0001
 
spin component  4
 
  0.5864 -0.0000 -0.0002 -0.0001 -0.0000      0.0000 -0.0000  0.0001  0.0000 -0.0162
 -0.0000  0.5370  0.0000 -0.0003  0.0000      0.0000  0.0000 -0.0000 -0.0364 -0.0001
 -0.0002  0.0000  0.5890  0.0001 -0.0000     -0.0001  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0003  0.0001  0.5369 -0.0000     -0.0000  0.0364 -0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0000 -0.0000  0.5413      0.0162  0.0001  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v =  0.0061  0.2552 -0.0001  0.1449 -0.0175 -0.0024  0.5115  0.0007 -0.0167 -0.1326      0.0000  0.1430  0.0000 -0.2515  0.4838 -0.0013  0.0200  0.0006  0.5111  0.2339
  o =  0.4684  v = -0.0040  0.4483  0.0007  0.2570  0.0097 -0.0056 -0.2884  0.0008  0.0101 -0.2343      0.0000  0.2540  0.0002 -0.4492 -0.2727 -0.0025 -0.0116  0.0003 -0.2902  0.4118
  o =  0.5582  v =  0.4367  0.1402  0.0048  0.1211 -0.0006 -0.2774  0.2480 -0.0220 -0.0026  0.3072      0.0000  0.1585  0.0097 -0.1596 -0.5131 -0.2560 -0.0027 -0.0098  0.2331 -0.3282
  o =  0.5583  v = -0.3800  0.1661  0.0048  0.1619 -0.0001 -0.3181 -0.2063  0.0024 -0.0068  0.3530      0.0000  0.1588 -0.0036 -0.1790  0.4458 -0.2979 -0.0061 -0.0047 -0.2088 -0.3806
  o =  0.5597  v =  0.0154  0.1117  0.0080  0.5694 -0.0019 -0.0133  0.0729  0.5546 -0.0133  0.0036      0.0000 -0.5679  0.0588  0.0971 -0.0191 -0.0006 -0.0109  0.1018 -0.0561 -0.0211
  o =  0.5597  v = -0.0072 -0.0435 -0.2440 -0.0486 -0.0057 -0.0027  0.5177 -0.0446  0.2551 -0.0094      0.0000  0.0389  0.5027 -0.0467  0.0093  0.0086  0.2532 -0.0462 -0.5274 -0.0042
  o =  0.6003  v = -0.7561 -0.0776 -0.0323  0.0490 -0.0008 -0.2446  0.2255 -0.0005 -0.0176  0.1048      0.0000  0.0489 -0.0200  0.0581 -0.4428  0.1790 -0.0178  0.0180  0.2027  0.1447
  o =  0.6004  v =  0.3007 -0.1859 -0.0181  0.1310 -0.0008 -0.6152 -0.1121 -0.0172 -0.0081  0.2588      0.0000  0.1111  0.0531  0.1539  0.1790  0.4391 -0.0088  0.0294 -0.0606  0.3617
  o =  0.6028  v =  0.0411 -0.1026 -0.2710 -0.2640 -0.0000 -0.0124  0.2399  0.5464 -0.1300  0.0088      0.0000  0.2734 -0.5142 -0.0944  0.0190  0.0137 -0.1302  0.1991 -0.2572  0.0085
  o =  0.6031  v = -0.0279 -0.0557  0.3582 -0.2908  0.0008 -0.0336 -0.2133  0.5725  0.1725 -0.0290      0.0000  0.2632  0.4619 -0.0393 -0.0155 -0.0513  0.1709  0.0994  0.2276  0.0187
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5981  0.0000 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000  0.0001 -0.0000  0.0192
  0.0000  0.5209 -0.0001 -0.0002 -0.0001      0.0000  0.0000 -0.0001  0.0447 -0.0006
 -0.0000 -0.0001  0.5997  0.0000  0.0000     -0.0001  0.0001  0.0000  0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5206 -0.0002      0.0000 -0.0447 -0.0000 -0.0000  0.0004
 -0.0000 -0.0001  0.0000 -0.0002  0.5309     -0.0192  0.0006 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0001  0.0094 -0.0001  0.0000 -0.0000      0.0002  0.0000  0.0000 -0.0095 -0.0000
 -0.0096  0.0013 -0.0000 -0.0000  0.0001     -0.0001  0.0007 -0.0161 -0.0000 -0.0501
  0.0000  0.0000  0.0001 -0.0160 -0.0000     -0.0001  0.0159  0.0001 -0.0000  0.0001
 -0.0000  0.0000  0.0162  0.0011 -0.0506      0.0097 -0.0001  0.0000  0.0008  0.0002
  0.0000 -0.0001  0.0001  0.0507  0.0011     -0.0000  0.0501 -0.0000 -0.0001  0.0006
 
spin component  3
 
  0.0001 -0.0096  0.0000 -0.0000  0.0000     -0.0002  0.0001  0.0001 -0.0097  0.0000
  0.0094  0.0013  0.0000  0.0000 -0.0001     -0.0000 -0.0007 -0.0159  0.0001 -0.0501
 -0.0001 -0.0000  0.0001  0.0162  0.0001     -0.0000  0.0161 -0.0001 -0.0000  0.0000
  0.0000 -0.0000 -0.0160  0.0011  0.0507      0.0095  0.0000  0.0000 -0.0008  0.0001
 -0.0000  0.0001 -0.0000 -0.0506  0.0011      0.0000  0.0501 -0.0001 -0.0002 -0.0006
 
spin component  4
 
  0.5979  0.0000 -0.0001  0.0001  0.0001      0.0000 -0.0001 -0.0000 -0.0001 -0.0193
  0.0000  0.5255  0.0001 -0.0002  0.0000      0.0001 -0.0000 -0.0001 -0.0463 -0.0005
 -0.0001  0.0001  0.6003  0.0000 -0.0000      0.0000  0.0001  0.0000  0.0001  0.0000
  0.0001 -0.0002  0.0000  0.5250  0.0002      0.0001  0.0463 -0.0001 -0.0000  0.0003
  0.0001  0.0000 -0.0000  0.0002  0.5352      0.0193  0.0005 -0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4284  v =  0.0002 -0.3072  0.0003  0.4817  0.1046  0.0014  0.0922  0.0006  0.1002 -0.4539      0.0000  0.4796  0.0002  0.3078  0.0944 -0.0022 -0.1076  0.0003  0.0929 -0.2903
  o =  0.4293  v = -0.0009 -0.1204  0.0003  0.0697 -0.1920  0.0007 -0.5256  0.0003 -0.1956 -0.0642      0.0000  0.0716  0.0010  0.1291 -0.5213 -0.0002  0.1922  0.0003 -0.5304 -0.1154
  o =  0.5543  v = -0.0470  0.5600  0.0113 -0.2961  0.0011 -0.0034 -0.0289 -0.2082 -0.0127  0.0082      0.0000  0.3048  0.0034  0.5508  0.0747 -0.0038 -0.0127  0.3856 -0.0357 -0.0045
  o =  0.5587  v =  0.0047 -0.0012 -0.2876 -0.0234  0.0002  0.0196  0.4995  0.0042  0.3642 -0.0764      0.0000 -0.0400  0.3882  0.0244 -0.0091  0.0522  0.3679  0.0094 -0.4861  0.0309
  o =  0.5640  v = -0.5139  0.0632  0.0172 -0.0485 -0.0011 -0.1960 -0.2857  0.0205 -0.0191 -0.1525      0.0000 -0.0966  0.0182 -0.1622  0.6105  0.1266 -0.0207 -0.0436 -0.3197 -0.2364
  o =  0.5661  v =  0.2460  0.2554  0.0547 -0.1698 -0.0029 -0.4513  0.1553 -0.0180 -0.0533 -0.3281      0.0000 -0.1380  0.0222 -0.2221 -0.2721  0.2930 -0.0558  0.0144  0.1106 -0.5094
  o =  0.6113  v =  0.1095  0.2877 -0.1141 -0.1171 -0.0008  0.0269 -0.0415  0.3455 -0.0436  0.0065      0.0000  0.1224  0.0477  0.2743  0.0532  0.0181 -0.0458 -0.8104 -0.0072 -0.0126
  o =  0.6124  v = -0.0050 -0.0054 -0.1739  0.0217  0.0000 -0.1324  0.3284 -0.1037 -0.0682 -0.0301      0.0000 -0.0485 -0.8344  0.0584  0.0004 -0.0540 -0.0685 -0.0753 -0.3274  0.0710
  o =  0.6145  v =  0.7377  0.0454 -0.0388 -0.0178  0.0015  0.3178 -0.1857 -0.0397 -0.0168 -0.0717      0.0000 -0.0516 -0.0429 -0.1311  0.4162 -0.1338 -0.0151  0.1027 -0.2287 -0.1832
  o =  0.6152  v = -0.3419  0.2021 -0.1098 -0.0850  0.0030  0.6669  0.1348  0.0115 -0.0515 -0.1612      0.0000 -0.0679 -0.0717 -0.1874 -0.2075 -0.2603 -0.0491 -0.0139  0.0687 -0.4102
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5986 -0.0000 -0.0002 -0.0000  0.0001      0.0000 -0.0000  0.0000 -0.0000  0.0180
 -0.0000  0.5131  0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0001  0.0346  0.0007
 -0.0002  0.0000  0.6007 -0.0000 -0.0000     -0.0000 -0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0000  0.5133  0.0001      0.0000 -0.0346  0.0000 -0.0000 -0.0002
  0.0001  0.0000 -0.0000  0.0001  0.5234     -0.0180 -0.0007 -0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0002  0.0089  0.0000  0.0001 -0.0001     -0.0001  0.0001  0.0001 -0.0089  0.0001
 -0.0091 -0.0013 -0.0000  0.0000  0.0002     -0.0000 -0.0003 -0.0151  0.0001 -0.0394
 -0.0000 -0.0000  0.0000 -0.0147 -0.0000     -0.0000  0.0149 -0.0002 -0.0000  0.0000
  0.0000 -0.0000  0.0149 -0.0010 -0.0386      0.0091  0.0002 -0.0000 -0.0004  0.0002
  0.0000 -0.0001 -0.0000  0.0388 -0.0012      0.0001  0.0399  0.0000 -0.0002 -0.0003
 
spin component  3
 
 -0.0002 -0.0091 -0.0000  0.0000  0.0000      0.0001  0.0000  0.0000 -0.0091 -0.0001
  0.0089 -0.0013 -0.0000 -0.0000 -0.0001     -0.0001  0.0003 -0.0149 -0.0002 -0.0399
  0.0000 -0.0000  0.0000  0.0149 -0.0000     -0.0001  0.0151  0.0002  0.0000 -0.0000
  0.0001  0.0000 -0.0147 -0.0010  0.0388      0.0089 -0.0001  0.0000  0.0004  0.0002
 -0.0001  0.0002 -0.0000 -0.0386 -0.0012     -0.0001  0.0394 -0.0000 -0.0002  0.0003
 
spin component  4
 
  0.5989 -0.0001 -0.0002 -0.0001 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0181
 -0.0001  0.5185 -0.0001 -0.0001 -0.0001     -0.0000  0.0000  0.0000 -0.0369  0.0007
 -0.0002 -0.0001  0.6012  0.0000  0.0001      0.0000 -0.0000  0.0000 -0.0000 -0.0001
 -0.0001 -0.0001  0.0000  0.5192 -0.0001     -0.0000  0.0369  0.0000  0.0000 -0.0002
 -0.0000 -0.0001  0.0001 -0.0001  0.5288      0.0181 -0.0007  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4426  v =  0.0005  0.3368 -0.0006  0.4787 -0.0775 -0.0036  0.0390 -0.0008 -0.0733 -0.4407      0.0000  0.4870  0.0005 -0.3333  0.0362 -0.0039  0.0804  0.0007  0.0324  0.3053
  o =  0.4438  v = -0.0021  0.0844  0.0002 -0.0062  0.0462 -0.0009 -0.5768  0.0000  0.0474  0.0066      0.0000 -0.0096 -0.0016 -0.0918 -0.5604 -0.0003 -0.0476 -0.0005 -0.5700  0.0775
  o =  0.5405  v = -0.0323 -0.6303  0.0051  0.1634  0.0014 -0.0113 -0.0183  0.0788 -0.0097  0.0008      0.0000 -0.1617  0.0063 -0.6599  0.0719 -0.0022 -0.0086 -0.3147 -0.0409 -0.0231
  o =  0.5471  v =  0.0089 -0.0581 -0.2350  0.0180  0.0045  0.0479 -0.4875  0.0009  0.4190  0.0370      0.0000  0.0108 -0.2796  0.0212 -0.0155 -0.0172  0.4176 -0.0089  0.5109  0.0971
  o =  0.5510  v =  0.3940  0.0681 -0.0013 -0.0129 -0.0010 -0.1334  0.3305  0.0093  0.0048 -0.0596      0.0000 -0.0421 -0.0066 -0.1602 -0.7013  0.0322  0.0038 -0.0272  0.3562 -0.2474
  o =  0.5544  v =  0.1493 -0.3454  0.0319  0.0778 -0.0009  0.4032  0.1866  0.0049 -0.0471  0.1650      0.0000  0.0729  0.0457  0.2739 -0.2431 -0.0989 -0.0473 -0.0257  0.0465  0.6842
  o =  0.6083  v =  0.2129 -0.1550 -0.0064  0.1772  0.0007  0.0207  0.0058 -0.6193 -0.0036  0.0562      0.0000 -0.1244 -0.1485 -0.1593  0.0755  0.1415 -0.0021  0.6460 -0.0783 -0.0040
  o =  0.6088  v =  0.7174 -0.0152  0.4571 -0.0264 -0.0005 -0.1888 -0.1571  0.2124  0.1300  0.0592      0.0000  0.0797  0.0745  0.0478  0.2740  0.1528  0.1282 -0.0560 -0.1141  0.0661
  o =  0.6090  v = -0.4853 -0.0414  0.6684  0.0576 -0.0033  0.0026  0.0421  0.0167  0.1861  0.1342      0.0000  0.0659  0.1755 -0.0404 -0.1851  0.3306  0.1829  0.1559  0.1412  0.0030
  o =  0.6099  v = -0.1604 -0.1791  0.0263 -0.0471  0.0043 -0.7727  0.1478  0.0887  0.0055 -0.0588      0.0000 -0.0088 -0.3855  0.1204 -0.0710 -0.1424  0.0081  0.1079 -0.0791  0.3203
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5971 -0.0001  0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0204
 -0.0001  0.5330  0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000  0.0599 -0.0002
  0.0000  0.0000  0.5990 -0.0000 -0.0000      0.0001  0.0000 -0.0000  0.0000  0.0001
 -0.0001 -0.0001 -0.0000  0.5329 -0.0000      0.0000 -0.0599 -0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0000 -0.0000  0.5422     -0.0204  0.0002 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0102  0.0002 -0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0101 -0.0000
 -0.0101  0.0003 -0.0001  0.0000  0.0002     -0.0000  0.0001 -0.0172 -0.0000 -0.0631
  0.0001  0.0000 -0.0001 -0.0172  0.0000      0.0001  0.0172 -0.0001 -0.0000 -0.0000
 -0.0001  0.0001  0.0172  0.0004 -0.0630      0.0101  0.0000 -0.0000  0.0001  0.0002
  0.0000 -0.0001 -0.0000  0.0630  0.0003      0.0001  0.0632 -0.0001 -0.0001  0.0000
 
spin component  3
 
 -0.0000 -0.0101  0.0001 -0.0001  0.0000     -0.0001  0.0000 -0.0001 -0.0101 -0.0001
  0.0102  0.0003  0.0000  0.0001 -0.0001     -0.0000 -0.0001 -0.0172 -0.0000 -0.0632
  0.0002 -0.0001 -0.0001  0.0172 -0.0000     -0.0000  0.0172  0.0001  0.0000  0.0001
 -0.0000  0.0000 -0.0172  0.0004  0.0630      0.0101  0.0000  0.0000 -0.0001  0.0001
 -0.0000  0.0002  0.0000 -0.0630  0.0003      0.0000  0.0631  0.0000 -0.0002 -0.0000
 
spin component  4
 
  0.5972 -0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0001  0.0000 -0.0204
 -0.0000  0.5316  0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000 -0.0598 -0.0002
 -0.0000  0.0000  0.5991 -0.0000 -0.0000     -0.0001  0.0000 -0.0000  0.0000 -0.0001
  0.0000 -0.0002 -0.0000  0.5319  0.0001     -0.0000  0.0598 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.0001  0.5410      0.0204  0.0002  0.0001  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4112  v = -0.0018 -0.0077 -0.0000  0.1782 -0.1550  0.0000 -0.5333  0.0000 -0.1612 -0.1733      0.0000  0.1784 -0.0002  0.0090 -0.5125 -0.0005  0.1613  0.0000 -0.5320 -0.0075
  o =  0.4116  v =  0.0011  0.2166 -0.0001  0.5098  0.1168 -0.0004  0.1319 -0.0001  0.1200 -0.4974      0.0000  0.5103 -0.0002 -0.2169  0.1268 -0.0013 -0.1213  0.0001  0.1326  0.2110
  o =  0.5706  v =  0.0327 -0.0002 -0.6430 -0.0799 -0.0017  0.0253  0.0484 -0.0837  0.5306 -0.0277      0.0000  0.0542  0.0441  0.0193 -0.0261  0.0307  0.5280  0.0139 -0.0232  0.0192
  o =  0.5714  v =  0.0088 -0.3087 -0.0694  0.4237  0.0027 -0.0048  0.0402  0.5278  0.0585 -0.0010      0.0000 -0.4241  0.0453 -0.3152 -0.0107  0.0013  0.0602 -0.3882 -0.0311 -0.0065
  o =  0.5747  v = -0.4266  0.2210 -0.0341 -0.0010 -0.0012 -0.6065 -0.1314 -0.0050  0.0286  0.0041      0.0000  0.0055  0.0267 -0.2180  0.3160 -0.0072  0.0266  0.0018 -0.1720 -0.4511
  o =  0.5751  v =  0.6124  0.1577  0.0178 -0.0017 -0.0020 -0.4285  0.2266 -0.0099 -0.0077  0.0050      0.0000  0.0062  0.0183 -0.1466 -0.4497 -0.0036 -0.0090  0.0118  0.2037 -0.3144
  o =  0.6199  v =  0.0313  0.0142 -0.7199  0.0305 -0.0045  0.0202 -0.1510 -0.0415 -0.4358  0.0105      0.0000 -0.0212  0.2312 -0.0057  0.0239  0.0165 -0.4393 -0.0105  0.1280 -0.0206
  o =  0.6205  v =  0.0262  0.4468  0.0118 -0.1090 -0.0024 -0.0135 -0.0348  0.1845  0.0099  0.0123      0.0000  0.1210  0.0417  0.4562  0.0205  0.0165  0.0073 -0.7255  0.0162  0.0095
  o =  0.6248  v =  0.3960  0.2327  0.0319  0.0099  0.0031  0.5361 -0.1603  0.0149  0.0192  0.0416      0.0000  0.0304 -0.0225 -0.2455  0.3640  0.0429  0.0224  0.0093 -0.1920 -0.4889
  o =  0.6252  v =  0.5323 -0.1956  0.0109 -0.0050 -0.0012 -0.3938 -0.2418 -0.0138  0.0083 -0.0325      0.0000 -0.0267 -0.0020  0.1589  0.4971 -0.0372  0.0078  0.0228 -0.2378  0.3630
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5975  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0001  0.0198
  0.0000  0.5301 -0.0000 -0.0002  0.0001      0.0000  0.0000  0.0000  0.0514 -0.0002
 -0.0001 -0.0000  0.5998  0.0000 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.5298 -0.0001     -0.0001 -0.0514  0.0000 -0.0000 -0.0002
  0.0000  0.0001 -0.0001 -0.0001  0.5394     -0.0198  0.0002 -0.0001  0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0099  0.0001 -0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0099 -0.0000
 -0.0096  0.0004  0.0000 -0.0000  0.0001      0.0000 -0.0006 -0.0164 -0.0000 -0.0547
 -0.0001  0.0000 -0.0001 -0.0166  0.0001     -0.0000  0.0166 -0.0000 -0.0001  0.0000
  0.0001 -0.0001  0.0164  0.0004 -0.0547      0.0097 -0.0000  0.0000 -0.0006  0.0001
  0.0000 -0.0002 -0.0000  0.0550  0.0004      0.0000  0.0548  0.0000 -0.0002 -0.0004
 
spin component  3
 
  0.0001 -0.0096 -0.0001  0.0001  0.0000      0.0001 -0.0000  0.0000 -0.0097 -0.0000
  0.0099  0.0004  0.0000 -0.0001 -0.0002     -0.0000  0.0006 -0.0166  0.0000 -0.0548
  0.0001  0.0000 -0.0001  0.0164 -0.0000     -0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0166  0.0004  0.0550      0.0099  0.0000  0.0001  0.0006  0.0002
  0.0000  0.0001  0.0001 -0.0547  0.0004      0.0000  0.0547 -0.0000 -0.0001  0.0004
 
spin component  4
 
  0.5974  0.0000 -0.0001 -0.0000  0.0001      0.0000  0.0001  0.0001  0.0000 -0.0194
  0.0000  0.5222  0.0000 -0.0002 -0.0001     -0.0001  0.0000 -0.0000 -0.0486 -0.0002
 -0.0001  0.0000  0.5994 -0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0001
 -0.0000 -0.0002 -0.0000  0.5222  0.0000     -0.0000  0.0486  0.0000  0.0000 -0.0002
  0.0001 -0.0001  0.0000  0.0000  0.5327      0.0194  0.0002  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4224  v =  0.0027 -0.0615 -0.0003 -0.0065 -0.0731 -0.0001  0.5814 -0.0003 -0.0779  0.0062      0.0000 -0.0032 -0.0001  0.0594  0.5435  0.0002  0.0787 -0.0001  0.5813 -0.0612
  o =  0.4234  v = -0.0007 -0.5003 -0.0004 -0.2783  0.0310  0.0008 -0.0533 -0.0000  0.0344  0.2791      0.0000 -0.2778 -0.0002  0.5023 -0.0482  0.0007 -0.0307  0.0003 -0.0538 -0.5037
  o =  0.5580  v =  0.0068 -0.0066 -0.3746 -0.0135  0.0024  0.0052 -0.3869 -0.0026  0.4779 -0.0261      0.0000 -0.0085 -0.3064 -0.0006 -0.0095  0.0169  0.4797 -0.0045  0.3952  0.0073
  o =  0.5652  v =  0.0489 -0.4349  0.0040 -0.4034  0.0027  0.0237  0.0263 -0.3885 -0.0065 -0.0072      0.0000  0.3973  0.0018 -0.4059 -0.0556  0.0023 -0.0055 -0.4081  0.0214  0.0270
  o =  0.5683  v = -0.0916  0.1168 -0.0199  0.2773  0.0002 -0.2890 -0.0554 -0.0050  0.0186  0.5524      0.0000  0.2773 -0.0096 -0.1710  0.0959 -0.5551  0.0184 -0.0326 -0.0354 -0.2871
  o =  0.5698  v =  0.6469  0.0487  0.0055  0.0714  0.0001 -0.0486  0.2920  0.0371 -0.0024  0.0816      0.0000  0.0084  0.0001  0.0068 -0.6214 -0.0869 -0.0027  0.0322  0.2858 -0.0435
  o =  0.6126  v = -0.0141 -0.0071  0.8655 -0.0179 -0.0021 -0.0400 -0.0419  0.0270  0.3396 -0.0106      0.0000  0.0086  0.1146  0.0157 -0.0059 -0.0205  0.3377 -0.0102  0.0475  0.0235
  o =  0.6156  v =  0.0716  0.3011  0.0138  0.2782 -0.0000  0.0590 -0.0302 -0.5753  0.0047 -0.0008      0.0000 -0.2796  0.0286  0.2647  0.0435  0.0060  0.0053 -0.5822 -0.0086 -0.0355
  o =  0.6171  v =  0.0527  0.2093  0.0452  0.0823 -0.0036  0.7088 -0.0152  0.0280  0.0239  0.1979      0.0000  0.1169  0.0021 -0.2678  0.0322  0.2947  0.0214  0.0569 -0.0161 -0.4735
  o =  0.6183  v =  0.7501 -0.0431  0.0077 -0.0341  0.0002 -0.0511 -0.2558  0.0462  0.0050 -0.0160      0.0000  0.0191  0.0007 -0.0061  0.5427 -0.0147  0.0046  0.0462 -0.2551  0.0375
     EDDAV:  cpu time   74.6503: real time   75.4172
       DOS:  cpu time    0.0480: real time    0.0482
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.061   0.059   0.000   0.120
    2        0.061   0.059   0.000   0.120
    3        0.062   0.061   0.000   0.122
    4        0.062   0.060   0.000   0.122
    5        0.061   0.059   0.000   0.120
    6        0.061   0.059   0.000   0.120
    7        0.061   0.059   0.000   0.120
    8        0.061   0.059   0.000   0.120
    9        0.061   0.059   0.000   0.120
   10        0.061   0.059   0.000   0.120
   11        0.061   0.059   0.000   0.120
   12        0.061   0.059   0.000   0.120
   13        0.061   0.059   0.000   0.120
   14        0.061   0.059   0.000   0.120
   15        0.062   0.060   0.000   0.122
   16        0.062   0.060   0.000   0.122
   17        0.722   1.197   6.743   8.662
   18        0.725   1.194   5.524   7.443
   19        0.725   1.199   6.078   8.002
   20        0.726   1.202   6.754   8.682
   21        0.709   1.170   4.953   6.832
   22        0.709   1.171   4.958   6.837
   23        0.733   1.207   5.580   7.519
   24        0.732   1.206   5.566   7.504
   25        0.709   1.171   4.960   6.840
   26        0.709   1.171   4.966   6.847
   27        0.732   1.205   5.542   7.479
   28        0.732   1.205   5.540   7.477
   29        0.724   1.194   5.787   7.705
   30        0.724   1.199   6.850   8.774
   31        0.726   1.187   5.219   7.132
   32        0.726   1.193   5.406   7.324
   33        1.995   5.621   0.232   7.847
   34        1.994   5.620   0.231   7.846
   35        1.994   5.618   0.233   7.845
   36        1.995   5.618   0.236   7.850
   37        1.994   5.620   0.230   7.844
   38        1.993   5.619   0.227   7.839
   39        1.996   5.619   0.237   7.852
   40        1.996   5.619   0.238   7.853
   41        1.995   5.620   0.232   7.847
   42        1.994   5.621   0.232   7.846
   43        1.994   5.618   0.233   7.844
   44        1.995   5.618   0.236   7.850
   45        1.994   5.620   0.230   7.844
   46        1.993   5.619   0.227   7.839
   47        1.996   5.619   0.237   7.852
   48        1.996   5.619   0.238   7.853
   49        1.993   5.619   0.227   7.839
   50        1.994   5.621   0.230   7.844
   51        1.997   5.621   0.242   7.860
   52        1.995   5.617   0.233   7.845
   53        1.993   5.618   0.227   7.839
   54        1.995   5.623   0.236   7.855
   55        1.995   5.619   0.235   7.849
   56        1.995   5.617   0.233   7.845
   57        1.993   5.618   0.227   7.839
   58        1.994   5.621   0.230   7.844
   59        1.997   5.621   0.242   7.860
   60        1.995   5.617   0.233   7.845
   61        1.993   5.618   0.227   7.839
   62        1.995   5.623   0.236   7.855
   63        1.995   5.619   0.235   7.849
   64        1.995   5.617   0.233   7.845
   65        1.572   3.543   0.000   5.115
   66        1.570   3.404   0.000   4.973
   67        1.571   3.455   0.000   5.026
   68        1.572   3.534   0.000   5.106
   69        1.570   3.403   0.000   4.973
   70        1.572   3.543   0.000   5.115
   71        1.572   3.534   0.000   5.106
   72        1.571   3.455   0.000   5.026
   73        1.572   3.543   0.000   5.115
   74        1.570   3.403   0.000   4.973
   75        1.571   3.455   0.000   5.026
   76        1.572   3.534   0.000   5.105
   77        1.570   3.403   0.000   4.973
   78        1.572   3.543   0.000   5.115
   79        1.572   3.534   0.000   5.105
   80        1.571   3.455   0.000   5.026
   81        1.572   3.539   0.000   5.111
   82        1.570   3.384   0.000   4.954
   83        1.574   3.477   0.000   5.051
   84        1.574   3.549   0.000   5.124
   85        1.571   3.535   0.000   5.106
   86        1.571   3.451   0.000   5.022
   87        1.572   3.418   0.000   4.991
   88        1.575   3.554   0.000   5.128
   89        1.568   3.412   0.000   4.981
   90        1.569   3.411   0.000   4.980
   91        1.568   3.358   0.000   4.926
   92        1.568   3.357   0.000   4.925
   93        1.568   3.412   0.000   4.980
   94        1.569   3.412   0.000   4.981
   95        1.568   3.356   0.000   4.924
   96        1.568   3.358   0.000   4.926
   97        1.568   3.412   0.000   4.981
   98        1.568   3.414   0.000   4.983
   99        1.568   3.363   0.000   4.931
  100        1.568   3.361   0.000   4.929
  101        1.569   3.416   0.000   4.984
  102        1.568   3.411   0.000   4.979
  103        1.568   3.363   0.000   4.931
  104        1.568   3.361   0.000   4.929
  105        1.568   3.415   0.000   4.983
  106        1.568   3.414   0.000   4.982
  107        1.568   3.362   0.000   4.930
  108        1.568   3.360   0.000   4.928
  109        1.569   3.423   0.000   4.992
  110        1.569   3.422   0.000   4.991
  111        1.569   3.360   0.000   4.928
  112        1.568   3.358   0.000   4.927
  113        1.568   3.410   0.000   4.979
  114        1.569   3.413   0.000   4.981
  115        1.568   3.361   0.000   4.929
  116        1.568   3.361   0.000   4.929
  117        1.569   3.414   0.000   4.982
  118        1.568   3.409   0.000   4.977
  119        1.568   3.361   0.000   4.929
  120        1.568   3.361   0.000   4.929
  121        1.568   3.411   0.000   4.979
  122        1.568   3.409   0.000   4.978
  123        1.568   3.356   0.000   4.923
  124        1.568   3.356   0.000   4.924
  125        1.568   3.409   0.000   4.978
  126        1.568   3.411   0.000   4.979
  127        1.568   3.355   0.000   4.923
  128        1.568   3.356   0.000   4.924
  129        1.568   3.413   0.000   4.982
  130        1.568   3.413   0.000   4.981
  131        1.568   3.359   0.000   4.928
  132        1.568   3.359   0.000   4.927
  133        1.569   3.422   0.000   4.990
  134        1.569   3.421   0.000   4.990
  135        1.568   3.357   0.000   4.926
  136        1.568   3.357   0.000   4.926
  137        1.570   3.429   0.000   5.000
  138        1.572   3.548   0.000   5.120
  139        1.569   3.382   0.000   4.951
  140        1.570   3.390   0.000   4.960
  141        1.570   3.429   0.000   5.000
  142        1.572   3.548   0.000   5.120
  143        1.569   3.382   0.000   4.951
  144        1.570   3.390   0.000   4.960
  145        1.570   3.429   0.000   5.000
  146        1.572   3.548   0.000   5.119
  147        1.569   3.382   0.000   4.951
  148        1.570   3.389   0.000   4.959
  149        1.570   3.429   0.000   5.000
  150        1.572   3.548   0.000   5.119
  151        1.569   3.382   0.000   4.951
  152        1.570   3.389   0.000   4.959
  153        1.571   3.414   0.000   4.984
  154        1.572   3.547   0.000   5.119
  155        1.571   3.401   0.000   4.972
  156        1.572   3.408   0.000   4.980
  157        1.570   3.372   0.000   4.942
  158        1.569   3.368   0.000   4.937
  159        1.575   3.560   0.000   5.135
  160        1.573   3.444   0.000   5.017
--------------------------------------------------
tot        227.057 528.545  97.883 853.486
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5       -0.000   0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000  -0.000   0.000  -0.000
   10       -0.000   0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17        0.000   0.000   0.016   0.016
   18       -0.000  -0.000  -0.010  -0.010
   19        0.000   0.000   0.005   0.005
   20        0.000   0.000   0.004   0.004
   21       -0.000  -0.000  -0.001  -0.002
   22       -0.000  -0.000  -0.002  -0.003
   23        0.000   0.001   0.012   0.013
   24        0.000  -0.000  -0.001  -0.001
   25       -0.000  -0.000  -0.001  -0.002
   26       -0.000  -0.000  -0.002  -0.003
   27        0.000   0.000   0.009   0.010
   28        0.000  -0.000   0.000   0.000
   29        0.000   0.000   0.010   0.010
   30       -0.000  -0.000  -0.016  -0.016
   31        0.000   0.000   0.001   0.001
   32        0.000   0.000   0.002   0.002
   33       -0.000  -0.000   0.000  -0.000
   34       -0.000  -0.001  -0.001  -0.001
   35        0.000   0.000   0.000   0.001
   36       -0.000  -0.001  -0.000  -0.001
   37       -0.000  -0.001  -0.000  -0.001
   38       -0.000   0.000   0.000   0.001
   39       -0.000   0.000   0.000   0.001
   40        0.000  -0.000   0.000   0.000
   41        0.000   0.001   0.001   0.002
   42        0.000   0.001   0.000   0.002
   43       -0.000  -0.001  -0.000  -0.001
   44        0.000   0.000   0.000   0.001
   45       -0.000   0.001   0.000   0.001
   46        0.000   0.001   0.000   0.001
   47       -0.000  -0.001  -0.001  -0.002
   48       -0.000  -0.000  -0.000  -0.001
   49       -0.000   0.000  -0.000  -0.000
   50       -0.000   0.000  -0.000  -0.000
   51        0.000  -0.000   0.000   0.000
   52        0.000  -0.000   0.000   0.000
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000   0.000  -0.000  -0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57       -0.000   0.000  -0.000  -0.000
   58       -0.000   0.000  -0.000  -0.000
   59        0.000  -0.000   0.000   0.000
   60        0.000  -0.000   0.000   0.000
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000   0.000  -0.000  -0.000
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66        0.000  -0.000   0.000  -0.000
   67       -0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69        0.000  -0.000   0.000  -0.000
   70        0.000   0.001   0.000   0.001
   71       -0.000   0.000   0.000  -0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74        0.000  -0.000   0.000  -0.000
   75       -0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77        0.000  -0.000   0.000  -0.000
   78        0.000   0.001   0.000   0.001
   79       -0.000  -0.000   0.000  -0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.002   0.000   0.002
   82        0.000   0.000   0.000   0.000
   83       -0.000   0.000   0.000   0.000
   84       -0.000  -0.000   0.000  -0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.000   0.000  -0.000
   88       -0.000   0.001   0.000   0.001
   89        0.000   0.001   0.000   0.001
   90        0.000   0.001   0.000   0.001
   91       -0.000  -0.001   0.000  -0.001
   92       -0.000   0.000   0.000  -0.000
   93        0.000   0.001   0.000   0.001
   94        0.000   0.001   0.000   0.001
   95       -0.000   0.000   0.000   0.000
   96       -0.000  -0.001   0.000  -0.001
   97        0.000   0.001   0.000   0.001
   98        0.000   0.001   0.000   0.001
   99       -0.000  -0.001   0.000  -0.001
  100       -0.000   0.000   0.000   0.000
  101        0.000   0.001   0.000   0.001
  102        0.000   0.001   0.000   0.001
  103       -0.000  -0.001   0.000  -0.001
  104       -0.000   0.000   0.000  -0.000
  105        0.000   0.001   0.000   0.001
  106       -0.000   0.001   0.000   0.001
  107       -0.000  -0.000   0.000  -0.000
  108       -0.000  -0.000   0.000  -0.000
  109        0.000   0.001   0.000   0.001
  110        0.000   0.001   0.000   0.001
  111       -0.000  -0.001   0.000  -0.001
  112        0.000  -0.000   0.000  -0.000
  113        0.000   0.001   0.000   0.001
  114        0.000   0.001   0.000   0.001
  115       -0.000  -0.001   0.000  -0.001
  116        0.000  -0.000   0.000  -0.000
  117        0.000   0.001   0.000   0.001
  118        0.000   0.001   0.000   0.001
  119       -0.000  -0.001   0.000  -0.001
  120       -0.000   0.000   0.000  -0.000
  121        0.000   0.001   0.000   0.001
  122        0.000   0.001   0.000   0.001
  123       -0.000  -0.001   0.000  -0.001
  124       -0.000  -0.000   0.000  -0.000
  125        0.000   0.001   0.000   0.001
  126        0.000   0.001   0.000   0.001
  127       -0.000   0.000   0.000   0.000
  128       -0.000  -0.001   0.000  -0.001
  129        0.000   0.001   0.000   0.001
  130        0.000   0.001   0.000   0.001
  131       -0.000  -0.001   0.000  -0.001
  132       -0.000  -0.000   0.000  -0.000
  133        0.000   0.001   0.000   0.001
  134        0.000   0.001   0.000   0.001
  135       -0.000  -0.001   0.000  -0.001
  136        0.000  -0.000   0.000  -0.000
  137        0.000   0.000   0.000   0.000
  138        0.000  -0.001   0.000  -0.001
  139        0.000  -0.000   0.000  -0.000
  140       -0.000  -0.000   0.000  -0.000
  141        0.000   0.001   0.000   0.001
  142        0.000  -0.001   0.000  -0.001
  143       -0.000  -0.000   0.000  -0.000
  144        0.000  -0.000   0.000  -0.000
  145        0.000   0.001   0.000   0.001
  146       -0.000  -0.001   0.000  -0.001
  147        0.000  -0.000   0.000  -0.000
  148       -0.000  -0.000   0.000  -0.000
  149        0.000   0.001   0.000   0.001
  150        0.000  -0.001   0.000  -0.001
  151       -0.000  -0.000   0.000  -0.000
  152        0.000  -0.000   0.000  -0.000
  153        0.000   0.001   0.000   0.001
  154        0.000  -0.001   0.000  -0.001
  155       -0.000  -0.000   0.000  -0.000
  156       -0.000  -0.000   0.000  -0.000
  157        0.000   0.000   0.000   0.000
  158        0.000  -0.000   0.000   0.000
  159       -0.000  -0.001   0.000  -0.001
  160       -0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.017   0.027   0.045
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8        0.000   0.000   0.000   0.000
    9        0.000  -0.000   0.000   0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12        0.000   0.000   0.000   0.000
   13        0.000   0.000   0.000   0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.012  -0.012
   18        0.000   0.000   0.002   0.002
   19       -0.000  -0.000  -0.000  -0.000
   20        0.000   0.000   0.007   0.007
   21        0.000   0.000   0.000   0.000
   22       -0.000  -0.000  -0.001  -0.001
   23        0.000   0.000   0.001   0.002
   24        0.000   0.000   0.001   0.001
   25        0.000   0.000   0.000   0.000
   26       -0.000  -0.000  -0.001  -0.001
   27        0.000   0.000   0.001   0.001
   28        0.000   0.000   0.000   0.000
   29       -0.000  -0.000  -0.007  -0.007
   30        0.000   0.000   0.004   0.004
   31       -0.000  -0.000  -0.000  -0.000
   32        0.000   0.000   0.002   0.002
   33        0.000  -0.000  -0.000   0.000
   34       -0.000  -0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36       -0.000  -0.001  -0.000  -0.001
   37        0.000  -0.000  -0.000   0.000
   38       -0.000  -0.001  -0.001  -0.002
   39        0.000  -0.000  -0.000  -0.000
   40       -0.000  -0.001  -0.000  -0.001
   41        0.000   0.000   0.000   0.001
   42       -0.000   0.000   0.000   0.000
   43       -0.000  -0.000  -0.000  -0.001
   44       -0.000  -0.000  -0.000  -0.001
   45        0.000   0.001   0.000   0.001
   46       -0.000   0.000   0.000   0.001
   47        0.000   0.001   0.000   0.001
   48       -0.000   0.000   0.000   0.000
   49        0.000   0.000   0.000   0.000
   50        0.000   0.000   0.000   0.000
   51       -0.000  -0.000  -0.000  -0.000
   52        0.000  -0.000  -0.000  -0.000
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000   0.000  -0.000  -0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57        0.000   0.000   0.000   0.000
   58        0.000   0.000   0.000   0.000
   59       -0.000  -0.000   0.000  -0.000
   60        0.000  -0.000   0.000   0.000
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000   0.000  -0.000  -0.000
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66        0.000  -0.000   0.000  -0.000
   67       -0.000   0.000   0.000   0.000
   68       -0.000   0.000   0.000   0.000
   69        0.000  -0.000   0.000  -0.000
   70        0.000  -0.001   0.000  -0.001
   71        0.000   0.001   0.000   0.001
   72       -0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75       -0.000   0.000   0.000   0.000
   76       -0.000   0.001   0.000   0.001
   77        0.000   0.000   0.000   0.000
   78        0.000  -0.001   0.000  -0.001
   79       -0.000   0.001   0.000   0.001
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83       -0.000   0.000   0.000  -0.000
   84        0.000   0.001   0.000   0.001
   85       -0.000   0.000   0.000   0.000
   86        0.000   0.000   0.000   0.000
   87       -0.000   0.000   0.000  -0.000
   88        0.000  -0.001   0.000  -0.001
   89       -0.000  -0.000   0.000  -0.000
   90        0.000   0.000   0.000   0.001
   91       -0.000  -0.000   0.000  -0.000
   92        0.000  -0.000   0.000  -0.000
   93       -0.000   0.000   0.000   0.000
   94        0.000   0.000   0.000   0.000
   95       -0.000  -0.000   0.000  -0.000
   96        0.000   0.000   0.000   0.000
   97        0.000   0.000   0.000   0.000
   98       -0.000   0.000   0.000   0.000
   99        0.000   0.000   0.000   0.000
  100       -0.000  -0.000   0.000  -0.000
  101       -0.000  -0.000   0.000  -0.000
  102        0.000   0.001   0.000   0.001
  103       -0.000  -0.000   0.000  -0.000
  104        0.000  -0.000   0.000   0.000
  105       -0.000  -0.000   0.000  -0.000
  106        0.000   0.000   0.000   0.000
  107        0.000   0.000   0.000   0.000
  108       -0.000  -0.000   0.000  -0.000
  109       -0.000   0.000   0.000   0.000
  110        0.000   0.000   0.000   0.000
  111       -0.000  -0.000   0.000  -0.000
  112       -0.000   0.000   0.000   0.000
  113        0.000   0.000   0.000   0.000
  114       -0.000   0.000   0.000   0.000
  115        0.000   0.000   0.000   0.000
  116       -0.000  -0.000   0.000  -0.000
  117       -0.000  -0.000   0.000  -0.000
  118        0.000   0.000   0.000   0.000
  119       -0.000  -0.000   0.000  -0.000
  120        0.000   0.000   0.000   0.000
  121       -0.000  -0.000   0.000  -0.000
  122        0.000   0.000   0.000   0.000
  123       -0.000  -0.000   0.000  -0.000
  124        0.000  -0.000   0.000  -0.000
  125       -0.000   0.000   0.000   0.000
  126        0.000   0.000   0.000   0.000
  127       -0.000  -0.000   0.000  -0.000
  128        0.000   0.000   0.000   0.000
  129       -0.000   0.000   0.000  -0.000
  130        0.000   0.000   0.000   0.000
  131        0.000  -0.000   0.000  -0.000
  132       -0.000  -0.000   0.000  -0.000
  133        0.000   0.000   0.000   0.000
  134        0.000   0.000   0.000   0.000
  135       -0.000  -0.000   0.000  -0.000
  136       -0.000   0.000   0.000  -0.000
  137        0.000  -0.000   0.000  -0.000
  138       -0.000   0.000   0.000   0.000
  139        0.000  -0.000   0.000   0.000
  140       -0.000  -0.000   0.000  -0.000
  141        0.000  -0.000   0.000  -0.000
  142       -0.000   0.000   0.000   0.000
  143       -0.000  -0.000   0.000  -0.000
  144       -0.000  -0.000   0.000  -0.000
  145        0.000  -0.000   0.000  -0.000
  146       -0.000   0.000   0.000   0.000
  147        0.000  -0.000   0.000  -0.000
  148        0.000  -0.000   0.000  -0.000
  149       -0.000  -0.000   0.000  -0.000
  150        0.000   0.000   0.000   0.000
  151       -0.000  -0.000   0.000  -0.000
  152       -0.000  -0.000   0.000  -0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.001   0.000   0.001
  155       -0.000  -0.000   0.000  -0.000
  156        0.000  -0.000   0.000  -0.000
  157       -0.000  -0.000   0.000  -0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000   0.000   0.000   0.000
  160        0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.000  -0.000  -0.003  -0.003
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5       -0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8        0.000   0.000   0.000   0.000
    9       -0.000  -0.000   0.000  -0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12        0.000   0.000   0.000   0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.038  -0.039
   18       -0.000  -0.000  -0.019  -0.020
   19        0.000   0.000   0.018   0.018
   20        0.000   0.000   0.049   0.049
   21        0.001   0.001   0.005   0.007
   22       -0.000  -0.000  -0.002  -0.003
   23       -0.000  -0.000  -0.002  -0.002
   24       -0.000  -0.000  -0.006  -0.006
   25        0.001   0.001   0.006   0.007
   26       -0.000  -0.000  -0.002  -0.003
   27       -0.000  -0.000  -0.002  -0.002
   28       -0.000  -0.000  -0.004  -0.004
   29       -0.000  -0.000  -0.024  -0.024
   30       -0.000  -0.000  -0.036  -0.036
   31        0.000   0.000   0.002   0.002
   32        0.000   0.000   0.015   0.016
   33        0.000   0.000  -0.000   0.000
   34       -0.000   0.001  -0.000   0.000
   35       -0.000   0.000   0.000   0.001
   36        0.000  -0.000  -0.000  -0.000
   37        0.000   0.000   0.000   0.000
   38        0.000  -0.001   0.000  -0.000
   39       -0.000  -0.000  -0.001  -0.001
   40        0.000   0.001   0.001   0.002
   41       -0.000  -0.000  -0.000  -0.001
   42        0.000   0.000  -0.000  -0.000
   43       -0.000  -0.000  -0.000  -0.000
   44        0.000   0.000   0.001   0.001
   45        0.000  -0.003  -0.001  -0.004
   46       -0.000  -0.000   0.000  -0.000
   47        0.000   0.001   0.000   0.002
   48       -0.000  -0.001  -0.000  -0.001
   49        0.000  -0.000   0.001   0.000
   50        0.000  -0.000   0.001   0.001
   51       -0.000   0.000  -0.001  -0.001
   52       -0.000   0.000  -0.001  -0.001
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.001
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57        0.000  -0.000   0.001   0.000
   58        0.000  -0.000   0.001   0.001
   59       -0.000   0.000  -0.001  -0.001
   60       -0.000   0.000  -0.001  -0.001
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.001
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65        0.000  -0.003   0.000  -0.003
   66        0.000  -0.000   0.000   0.000
   67       -0.000   0.001   0.000   0.001
   68       -0.000   0.004   0.000   0.004
   69        0.000  -0.000   0.000  -0.000
   70        0.000  -0.003   0.000  -0.003
   71       -0.000   0.004   0.000   0.004
   72       -0.000   0.001   0.000   0.001
   73        0.000  -0.003   0.000  -0.003
   74        0.000  -0.000   0.000  -0.000
   75       -0.000   0.001   0.000   0.001
   76       -0.000   0.004   0.000   0.004
   77        0.000  -0.000   0.000  -0.000
   78        0.000  -0.003   0.000  -0.003
   79       -0.000   0.004   0.000   0.004
   80       -0.000   0.001   0.000   0.001
   81       -0.000  -0.003   0.000  -0.003
   82        0.000  -0.000   0.000  -0.000
   83       -0.000   0.001   0.000   0.001
   84       -0.000   0.003   0.000   0.003
   85       -0.000   0.004   0.000   0.004
   86       -0.000   0.001   0.000   0.001
   87        0.000  -0.000   0.000   0.000
   88        0.000  -0.003   0.000  -0.003
   89       -0.000  -0.002   0.000  -0.002
   90        0.000   0.000   0.000   0.000
   91        0.000   0.000   0.000   0.000
   92        0.000   0.000   0.000   0.000
   93       -0.000   0.000   0.000   0.000
   94       -0.000  -0.002   0.000  -0.002
   95        0.000   0.001   0.000   0.001
   96        0.000   0.000   0.000   0.000
   97       -0.000  -0.002   0.000  -0.002
   98       -0.000   0.000   0.000   0.000
   99        0.000   0.000   0.000   0.000
  100        0.000   0.001   0.000   0.001
  101       -0.000  -0.001   0.000  -0.002
  102        0.000   0.000   0.000   0.000
  103        0.000   0.000   0.000   0.000
  104        0.000   0.000   0.000   0.001
  105       -0.000  -0.002   0.000  -0.002
  106       -0.000   0.000   0.000   0.000
  107        0.000   0.001   0.000   0.001
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.001   0.000  -0.001
  110        0.000   0.001   0.000   0.001
  111       -0.000  -0.000   0.000  -0.000
  112       -0.000   0.000   0.000   0.000
  113       -0.000  -0.002   0.000  -0.002
  114       -0.000   0.000   0.000   0.000
  115        0.000   0.000   0.000   0.000
  116        0.000   0.000   0.000   0.001
  117       -0.000  -0.002   0.000  -0.002
  118        0.000   0.000   0.000   0.000
  119        0.000   0.000   0.000   0.000
  120        0.000   0.000   0.000   0.000
  121       -0.000  -0.002   0.000  -0.002
  122        0.000   0.000   0.000   0.000
  123        0.000   0.000   0.000   0.000
  124        0.000   0.000   0.000   0.001
  125       -0.000   0.000   0.000   0.000
  126       -0.000  -0.002   0.000  -0.002
  127        0.000   0.000   0.000   0.001
  128        0.000   0.000   0.000   0.000
  129       -0.000  -0.002   0.000  -0.002
  130       -0.000   0.000   0.000   0.000
  131        0.000   0.001   0.000   0.001
  132        0.000   0.001   0.000   0.001
  133       -0.000  -0.001   0.000  -0.001
  134        0.000   0.001   0.000   0.001
  135       -0.000  -0.000   0.000  -0.000
  136       -0.000   0.000   0.000   0.000
  137        0.000  -0.001   0.000  -0.001
  138        0.000  -0.003   0.000  -0.003
  139       -0.000  -0.001   0.000  -0.001
  140       -0.000  -0.001   0.000  -0.001
  141        0.000  -0.001   0.000  -0.001
  142        0.000  -0.002   0.000  -0.002
  143       -0.000  -0.001   0.000  -0.001
  144       -0.000  -0.001   0.000  -0.001
  145        0.000  -0.001   0.000  -0.001
  146        0.000  -0.003   0.000  -0.002
  147       -0.000  -0.001   0.000  -0.001
  148       -0.000  -0.001   0.000  -0.001
  149        0.000  -0.001   0.000  -0.001
  150        0.000  -0.002   0.000  -0.002
  151       -0.000  -0.001   0.000  -0.001
  152       -0.000  -0.001   0.000  -0.001
  153       -0.000  -0.001   0.000  -0.001
  154       -0.000  -0.003   0.000  -0.003
  155        0.000  -0.000   0.000  -0.000
  156       -0.000  -0.001   0.000  -0.001
  157       -0.000  -0.001   0.000  -0.001
  158       -0.000  -0.001   0.000  -0.001
  159        0.000  -0.002   0.000  -0.002
  160        0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.001  -0.029  -0.042  -0.072
 
    CHARGE:  cpu time    1.1246: real time    1.1346
    MIXING:  cpu time    0.0299: real time    0.0302
    --------------------------------------------
      LOOP:  cpu time   76.7647: real time   77.5499

 eigenvalue-minimisations  : 13384
 total energy-change (2. order) : 0.4876163E+01  (-0.1246665E+01)
 number of electron    1039.9999692 magnetization       0.0102728     -0.0028085     -0.0083342
 augmentation part       28.8138887 magnetization      -0.0334780      0.0012465      0.0538261

 Broyden mixing:
  rms(total) = 0.46363E+01    rms(broyden)= 0.46362E+01
  rms(prec ) = 0.49049E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6585
  1.8399  0.4450  0.4069  0.4069  0.1939

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17384.54417318
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2473.85179869
  PAW double counting   =     83294.07382927   -82108.97551204
  entropy T*S    EENTRO =        -0.05120483
  eigenvalues    EBANDS =     -6137.27651371
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1070.39541309 eV

  energy without entropy =    -1070.34420826  energy(sigma->0) =    -1070.37834481


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.4746: real time    0.4788
    SETDIJ:  cpu time    0.4371: real time    0.4393
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6008  0.0000 -0.0000  0.0001 -0.0000     -0.0000  0.0001  0.0001 -0.0001  0.0208
  0.0000  0.5323 -0.0001 -0.0001 -0.0001     -0.0001  0.0000 -0.0000  0.0665 -0.0007
 -0.0000 -0.0001  0.6029  0.0001 -0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0000
  0.0001 -0.0001  0.0001  0.5314 -0.0003      0.0001 -0.0665  0.0000  0.0000  0.0005
 -0.0000 -0.0001 -0.0000 -0.0003  0.5402     -0.0208  0.0007  0.0000 -0.0005  0.0000
 
spin component  2
 
  0.0001  0.0105 -0.0001 -0.0000 -0.0000      0.0001 -0.0000 -0.0000 -0.0105 -0.0001
 -0.0107  0.0020 -0.0000 -0.0001 -0.0001     -0.0000  0.0013 -0.0181  0.0000 -0.0691
  0.0000  0.0000  0.0001 -0.0177  0.0000     -0.0001  0.0178  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0180  0.0020 -0.0699      0.0107 -0.0001  0.0000  0.0014 -0.0000
  0.0000  0.0001 -0.0000  0.0704  0.0018     -0.0000  0.0698  0.0000  0.0000  0.0015
 
spin component  3
 
  0.0001 -0.0107  0.0000  0.0000  0.0000     -0.0001  0.0000  0.0001 -0.0107  0.0000
  0.0105  0.0020  0.0000 -0.0000  0.0001      0.0000 -0.0013 -0.0178  0.0001 -0.0698
 -0.0001 -0.0000  0.0001  0.0180 -0.0000      0.0000  0.0181 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0177  0.0020  0.0704      0.0105 -0.0000  0.0000 -0.0014 -0.0000
 -0.0000 -0.0001  0.0000 -0.0699  0.0018      0.0001  0.0691 -0.0000  0.0000 -0.0015
 
spin component  4
 
  0.6010  0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0210
  0.0001  0.5410 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0689 -0.0007
 -0.0001 -0.0000  0.6034 -0.0001 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0001  0.5402  0.0003      0.0000  0.0689 -0.0000 -0.0000  0.0005
 -0.0000  0.0000 -0.0000  0.0003  0.5501      0.0210  0.0007 -0.0000 -0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.3998  v =  0.0004  0.0182 -0.0004 -0.5815 -0.0802 -0.0002 -0.0682  0.0001 -0.0722  0.5414      0.0000 -0.5778  0.0004 -0.0173 -0.0750  0.0042  0.0799  0.0003 -0.0747  0.0168
  o =  0.4019  v = -0.0015 -0.0765 -0.0001  0.0715 -0.0106  0.0010 -0.5646 -0.0004 -0.0117 -0.0661      0.0000  0.0773  0.0000  0.0862 -0.5683 -0.0010  0.0091  0.0004 -0.5693 -0.0717
  o =  0.5753  v = -0.1827  0.4351  0.0053 -0.2867  0.0010 -0.0274 -0.0798 -0.3564 -0.0020 -0.0108      0.0000  0.2770 -0.0131  0.4111  0.1510  0.0128 -0.0016  0.5365 -0.0612 -0.0213
  o =  0.5792  v = -0.6561 -0.0347 -0.2019  0.0098 -0.0016 -0.2015 -0.2889  0.0926  0.1309 -0.1121      0.0000 -0.1153 -0.0917 -0.1703  0.4498  0.1543  0.1304 -0.1483 -0.1661 -0.1469
  o =  0.5802  v = -0.3106 -0.0941  0.5926  0.0679  0.0010  0.2165  0.0520  0.0460 -0.3709  0.0825      0.0000  0.0028  0.2434  0.0329  0.2035 -0.1189 -0.3727 -0.0487 -0.2534  0.1466
  o =  0.5821  v = -0.1635 -0.1525 -0.3172  0.1436  0.0015  0.5194 -0.0806  0.0098  0.1832  0.3014      0.0000  0.1354 -0.0628  0.1441  0.0937 -0.4891  0.1857 -0.0086 -0.0088  0.3199
  o =  0.6259  v = -0.1458 -0.4040 -0.0043  0.2442  0.0016 -0.0190  0.0580 -0.3771 -0.0035  0.0111      0.0000 -0.2341 -0.0001 -0.3859 -0.1205  0.0131 -0.0014  0.6229  0.0553  0.0148
  o =  0.6311  v =  0.4531  0.0203  0.3544 -0.0290 -0.0026  0.2035 -0.3316 -0.0556  0.2779 -0.1561      0.0000 -0.1173  0.1460 -0.1659  0.4306 -0.1617  0.2773  0.0955 -0.1068 -0.2004
  o =  0.6319  v =  0.4007 -0.0747 -0.4736  0.0358  0.0025 -0.0404 -0.0582 -0.0414 -0.3802  0.0106      0.0000 -0.0314 -0.1734 -0.0388  0.3959  0.0058 -0.3804  0.0736 -0.3395  0.0466
  o =  0.6358  v = -0.1607  0.2227 -0.1817 -0.2074 -0.0008  0.3974  0.1240  0.0105 -0.1631 -0.4177      0.0000 -0.1860 -0.0377 -0.1972 -0.1812 -0.3701 -0.1644 -0.0136  0.0540 -0.4463
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5989  0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0002  0.0000  0.0184
  0.0000  0.5187 -0.0000 -0.0001  0.0002     -0.0000  0.0000  0.0001  0.0315  0.0006
 -0.0000 -0.0000  0.6009 -0.0001 -0.0000     -0.0002 -0.0001 -0.0000 -0.0001 -0.0000
 -0.0000 -0.0001 -0.0001  0.5184  0.0002     -0.0000 -0.0315  0.0001  0.0000 -0.0001
  0.0000  0.0002 -0.0000  0.0002  0.5283     -0.0184 -0.0006  0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0092  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0091  0.0000
 -0.0093 -0.0013  0.0000  0.0000  0.0001     -0.0000 -0.0003 -0.0158  0.0001 -0.0376
 -0.0000  0.0001 -0.0002 -0.0157  0.0000      0.0000  0.0157  0.0001 -0.0000  0.0000
 -0.0000  0.0000  0.0159 -0.0012 -0.0373      0.0092  0.0001  0.0001 -0.0002  0.0000
  0.0000 -0.0000  0.0000  0.0374 -0.0013      0.0000  0.0378  0.0000 -0.0000 -0.0002
 
spin component  3
 
 -0.0001 -0.0093 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0092 -0.0000
  0.0092 -0.0013  0.0001  0.0000 -0.0000      0.0000  0.0003 -0.0157 -0.0001 -0.0378
  0.0000  0.0000 -0.0002  0.0159  0.0000      0.0000  0.0158 -0.0001 -0.0001 -0.0000
 -0.0000  0.0000 -0.0157 -0.0012  0.0374      0.0091 -0.0001  0.0000  0.0002  0.0000
 -0.0000  0.0001  0.0000 -0.0373 -0.0013     -0.0000  0.0376 -0.0000 -0.0000  0.0002
 
spin component  4
 
  0.5991 -0.0000 -0.0001  0.0001  0.0000      0.0000 -0.0001  0.0002  0.0000 -0.0186
 -0.0000  0.5236  0.0000 -0.0002 -0.0001      0.0001  0.0000  0.0000 -0.0335  0.0007
 -0.0001  0.0000  0.6015  0.0001  0.0000     -0.0002 -0.0000  0.0000  0.0000  0.0000
  0.0001 -0.0002  0.0001  0.5236 -0.0001     -0.0000  0.0335 -0.0000 -0.0000 -0.0002
  0.0000 -0.0001  0.0000 -0.0001  0.5326      0.0186 -0.0007 -0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4520  v = -0.0002  0.3010  0.0005 -0.4921  0.0965 -0.0025  0.0743 -0.0003  0.0892  0.4596      0.0000 -0.4946  0.0003 -0.3000  0.0752  0.0034 -0.0988  0.0002  0.0699  0.2798
  o =  0.4529  v =  0.0010 -0.1181  0.0001  0.0147  0.0071  0.0012  0.5660 -0.0002  0.0083 -0.0137      0.0000  0.0156 -0.0001  0.1277  0.5617 -0.0005 -0.0067  0.0007  0.5665 -0.1104
  o =  0.5417  v =  0.0297  0.6437  0.0052 -0.1357 -0.0008  0.0004  0.0218 -0.0714 -0.0069 -0.0003      0.0000  0.1345 -0.0018  0.6497 -0.0664  0.0001 -0.0089  0.3390  0.0325  0.0065
  o =  0.5475  v = -0.0083  0.0300  0.2876 -0.0109 -0.0021 -0.0365  0.4221  0.0065 -0.4843 -0.0516      0.0000 -0.0291  0.2566 -0.0291  0.0152  0.0248 -0.4843  0.0018 -0.4370 -0.0738
  o =  0.5538  v = -0.4048 -0.1008  0.0010  0.0036  0.0002  0.1847 -0.3104 -0.0069 -0.0010  0.0283      0.0000  0.0241  0.0171  0.1911  0.6619 -0.0155 -0.0004  0.0284 -0.3500  0.3091
  o =  0.5563  v = -0.1960  0.3313 -0.0177 -0.0326  0.0004 -0.4214 -0.2119 -0.0045  0.0243 -0.0591      0.0000 -0.0213 -0.0450 -0.2824  0.3015  0.0377  0.0251  0.0189 -0.0829 -0.6644
  o =  0.6097  v = -0.2811  0.2515 -0.1127 -0.0117  0.0018  0.1247  0.0848  0.0160 -0.0342 -0.0176      0.0000 -0.0055 -0.1028  0.2014 -0.1100 -0.0410 -0.0326 -0.8666  0.0222 -0.0533
  o =  0.6102  v =  0.6278  0.0453 -0.0249  0.0290  0.0007  0.0224  0.0571 -0.0885 -0.0084  0.0155      0.0000 -0.0143 -0.6312  0.0372  0.2607  0.0410 -0.0067 -0.1390 -0.3182 -0.0134
  o =  0.6105  v =  0.4941 -0.0017 -0.0679 -0.0544  0.0019 -0.4090 -0.2617  0.1254 -0.0194 -0.0465      0.0000  0.0111  0.5495  0.1564  0.2005 -0.1098 -0.0181 -0.2889  0.0602  0.1676
  o =  0.6111  v =  0.2818  0.1722  0.0592  0.0151 -0.0024  0.7627 -0.1688 -0.0119  0.0205  0.0279      0.0000  0.0112  0.3413 -0.1483  0.1241  0.0649  0.0176 -0.0303  0.0470 -0.3376
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6000 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0193
 -0.0000  0.5270 -0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000  0.0470 -0.0003
 -0.0001 -0.0000  0.6022 -0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5275 -0.0001      0.0000 -0.0470 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0001 -0.0001  0.5366     -0.0193  0.0003  0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0001 -0.0096 -0.0000
 -0.0096  0.0005  0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0165 -0.0000 -0.0499
 -0.0000  0.0001 -0.0001 -0.0166  0.0000      0.0001  0.0165 -0.0000  0.0000 -0.0001
 -0.0000 -0.0000  0.0164  0.0004 -0.0494      0.0096 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0000  0.0490  0.0005     -0.0000  0.0497  0.0000 -0.0001  0.0000
 
spin component  3
 
  0.0000 -0.0096 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0001 -0.0096  0.0000
  0.0096  0.0005  0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0165  0.0000 -0.0497
  0.0000  0.0000 -0.0001  0.0164 -0.0000     -0.0001  0.0165  0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0166  0.0004  0.0490      0.0096  0.0000 -0.0000  0.0000  0.0001
 -0.0000  0.0000  0.0000 -0.0494  0.0005      0.0000  0.0499  0.0001 -0.0000 -0.0000
 
spin component  4
 
  0.5998 -0.0000 -0.0001 -0.0001 -0.0000     -0.0000 -0.0000  0.0001 -0.0000 -0.0192
 -0.0000  0.5238 -0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0001 -0.0463 -0.0003
 -0.0001 -0.0000  0.6020  0.0000  0.0000     -0.0001  0.0001  0.0000  0.0000 -0.0000
 -0.0001 -0.0001  0.0000  0.5243  0.0000      0.0000  0.0463 -0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.0000  0.5330      0.0192  0.0003  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4311  v = -0.0039  0.0279  0.0001  0.0075  0.0099 -0.0002 -0.5903 -0.0002  0.0100 -0.0076      0.0000  0.0073 -0.0005 -0.0254 -0.5526 -0.0001 -0.0109  0.0001 -0.5861  0.0269
  o =  0.4320  v =  0.0003  0.5833  0.0003 -0.0122  0.0075 -0.0018  0.0267  0.0000  0.0078  0.0123      0.0000 -0.0134 -0.0002 -0.5788  0.0246  0.0001 -0.0075  0.0004  0.0287  0.5674
  o =  0.5581  v = -0.0069 -0.0071  0.0797  0.0164 -0.0020  0.0176  0.6097  0.0098 -0.1077  0.0116      0.0000 -0.0055  0.4584  0.0182  0.0079 -0.0092 -0.1080  0.0056 -0.6215  0.0285
  o =  0.5609  v =  0.0208 -0.6023 -0.0076 -0.0061  0.0003 -0.0133  0.0227  0.0002  0.0098 -0.0116      0.0000 -0.0039  0.0059 -0.6246 -0.0313  0.0067  0.0099 -0.4941  0.0040 -0.0175
  o =  0.5652  v = -0.1327  0.3260 -0.0008 -0.0716  0.0004 -0.5332 -0.0552 -0.0058  0.0007 -0.1376      0.0000 -0.0628  0.0199 -0.3041  0.1646  0.1135  0.0017  0.0114 -0.0995 -0.6464
  o =  0.5667  v =  0.5613  0.1023  0.0038 -0.0161  0.0004 -0.1343  0.3208 -0.0018 -0.0020 -0.0324      0.0000 -0.0151  0.0126 -0.0475 -0.6605  0.0275 -0.0016  0.0285  0.2958 -0.1558
  o =  0.6145  v = -0.0469  0.0019 -0.4792  0.0066 -0.0028  0.0266 -0.2626  0.0052 -0.1769  0.0172      0.0000  0.0094  0.7408 -0.0096 -0.0264  0.0335 -0.1791  0.0084  0.2893 -0.0122
  o =  0.6153  v =  0.0866  0.3251 -0.0145 -0.1511  0.0011  0.0344 -0.0220  0.3690 -0.0055 -0.0047      0.0000  0.1450  0.0037  0.3042  0.0461 -0.0069 -0.0035 -0.7805 -0.0210 -0.0230
  o =  0.6158  v = -0.1477 -0.2046  0.0135 -0.0416 -0.0010 -0.8048  0.0238  0.0357  0.0056 -0.0593      0.0000 -0.0167  0.0327  0.2364 -0.0816 -0.1061  0.0043 -0.0422  0.0548  0.4487
  o =  0.6167  v =  0.7971 -0.0753 -0.0260  0.0089 -0.0007 -0.1450 -0.2419 -0.0328 -0.0084 -0.0092      0.0000 -0.0180  0.0475  0.0095  0.4690 -0.0177 -0.0092  0.0723 -0.2037  0.0876
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6007 -0.0000 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0205
 -0.0000  0.5386  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000  0.0658 -0.0001
 -0.0000  0.0000  0.6034 -0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5382 -0.0001     -0.0000 -0.0658  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0001 -0.0001  0.5475     -0.0205  0.0001  0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0103  0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0001 -0.0103 -0.0000
 -0.0101  0.0003 -0.0000 -0.0000  0.0000      0.0000 -0.0007 -0.0176  0.0001 -0.0654
  0.0001 -0.0000 -0.0001 -0.0178 -0.0000     -0.0001  0.0178 -0.0000 -0.0001 -0.0000
 -0.0000  0.0000  0.0176  0.0004 -0.0656      0.0102  0.0000 -0.0000 -0.0006  0.0000
 -0.0001 -0.0000  0.0000  0.0663  0.0003      0.0000  0.0657  0.0000 -0.0000 -0.0007
 
spin component  3
 
 -0.0001 -0.0101  0.0001 -0.0000 -0.0001     -0.0000 -0.0000  0.0001 -0.0102 -0.0000
  0.0103  0.0003 -0.0000  0.0000 -0.0000     -0.0000  0.0007 -0.0178 -0.0000 -0.0657
  0.0000 -0.0000 -0.0001  0.0176  0.0000      0.0001  0.0176  0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0178  0.0004  0.0663      0.0103 -0.0001  0.0001  0.0006  0.0000
  0.0000  0.0000 -0.0000 -0.0656  0.0003      0.0000  0.0654  0.0000 -0.0000  0.0007
 
spin component  4
 
  0.6002 -0.0000  0.0000  0.0000  0.0001     -0.0000 -0.0000  0.0000  0.0000 -0.0203
 -0.0000  0.5296 -0.0001 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0630 -0.0001
  0.0000 -0.0001  0.6028 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5290  0.0001     -0.0000  0.0630  0.0000 -0.0000 -0.0004
  0.0001  0.0000 -0.0000  0.0001  0.5384      0.0203  0.0001 -0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4057  v =  0.0040 -0.0117 -0.0000  0.0073  0.0025  0.0000  0.5907 -0.0000  0.0030 -0.0076      0.0000  0.0102 -0.0003  0.0103  0.5465 -0.0002 -0.0025  0.0001  0.5931 -0.0119
  o =  0.4066  v = -0.0003 -0.5756 -0.0002 -0.0010  0.0095  0.0010 -0.0112  0.0003  0.0095  0.0009      0.0000 -0.0008  0.0001  0.5785 -0.0101  0.0002 -0.0061  0.0002 -0.0125 -0.5774
  o =  0.5723  v =  0.0117 -0.0049 -0.3911 -0.0234  0.0003  0.0046 -0.4247 -0.0039  0.3438 -0.0468      0.0000 -0.0199 -0.4855 -0.0008 -0.0112  0.0520  0.3453 -0.0038  0.4328  0.0052
  o =  0.5772  v = -0.1147  0.1782 -0.0460  0.2324  0.0013 -0.3334 -0.0620 -0.0092  0.0340  0.4805      0.0000  0.2480 -0.0272 -0.0708  0.0893 -0.6382  0.0355  0.0755 -0.0213 -0.2489
  o =  0.5782  v = -0.2656  0.1780  0.0011  0.3947  0.0001  0.0947 -0.0958  0.5869  0.0007 -0.0203      0.0000 -0.4163 -0.0060  0.2455  0.1989  0.0282  0.0008  0.3055 -0.0833  0.0693
  o =  0.5793  v = -0.6986 -0.0966 -0.0012 -0.1869 -0.0004  0.0206 -0.2327 -0.2281  0.0001 -0.0723      0.0000  0.1176 -0.0018 -0.0825  0.5043  0.1031 -0.0003 -0.1326 -0.2291  0.0147
  o =  0.6234  v =  0.0049  0.0261 -0.7037  0.0049 -0.0008  0.0649 -0.1880 -0.0010 -0.3979  0.0056      0.0000  0.0009  0.3298 -0.0228  0.0030  0.0066 -0.4000 -0.0041  0.1849 -0.0511
  o =  0.6274  v = -0.1248 -0.2133 -0.0572 -0.2391  0.0010 -0.3183  0.0742 -0.0222 -0.0374 -0.5081      0.0000 -0.2708 -0.0314  0.0685 -0.1132 -0.5729 -0.0367  0.1030  0.0323  0.2803
  o =  0.6285  v = -0.1807 -0.1449  0.0065 -0.4380 -0.0009  0.1095  0.0782  0.6064  0.0045  0.0000      0.0000  0.4396 -0.0019 -0.2439 -0.1693  0.0011  0.0041  0.2673  0.0765 -0.0993
  o =  0.6299  v =  0.6163 -0.0857 -0.0061 -0.1750 -0.0003 -0.0308 -0.2729  0.1661 -0.0029 -0.1032      0.0000  0.0745 -0.0100 -0.0582  0.5981 -0.1065 -0.0030  0.0947 -0.2840  0.0279
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6031  0.0001 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0001 -0.0001  0.0194
  0.0001  0.5369  0.0000 -0.0001 -0.0000     -0.0000  0.0000  0.0000  0.0663 -0.0001
 -0.0001  0.0000  0.6045  0.0000 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5373 -0.0001      0.0001 -0.0663  0.0000  0.0000 -0.0001
  0.0000 -0.0000 -0.0001 -0.0001  0.5369     -0.0194  0.0001  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0101 -0.0001  0.0001  0.0001     -0.0000 -0.0000  0.0001 -0.0100  0.0000
 -0.0098 -0.0006 -0.0000  0.0001 -0.0007      0.0000 -0.0001 -0.0168  0.0000 -0.0635
 -0.0000  0.0000 -0.0001 -0.0168  0.0001     -0.0001  0.0169 -0.0002  0.0000 -0.0000
 -0.0000 -0.0002  0.0169 -0.0008 -0.0633      0.0099 -0.0003 -0.0000 -0.0001 -0.0007
 -0.0001  0.0008 -0.0000  0.0644 -0.0004      0.0000  0.0644 -0.0001  0.0008 -0.0000
 
spin component  3
 
 -0.0002 -0.0098 -0.0000 -0.0000 -0.0001      0.0000 -0.0000  0.0001 -0.0099 -0.0000
  0.0101 -0.0006  0.0000 -0.0002  0.0008      0.0000  0.0001 -0.0169  0.0003 -0.0644
 -0.0001 -0.0000 -0.0001  0.0169 -0.0000     -0.0001  0.0168  0.0002  0.0000  0.0001
  0.0001  0.0001 -0.0168 -0.0008  0.0644      0.0100 -0.0000 -0.0000  0.0001 -0.0008
  0.0001 -0.0007  0.0001 -0.0633 -0.0004     -0.0000  0.0635  0.0000  0.0007  0.0000
 
spin component  4
 
  0.6027  0.0000 -0.0000  0.0000 -0.0001     -0.0000 -0.0000  0.0002  0.0001 -0.0191
  0.0000  0.5341 -0.0001 -0.0002  0.0001      0.0000  0.0000  0.0000 -0.0654  0.0001
 -0.0000 -0.0001  0.6040  0.0000 -0.0000     -0.0002 -0.0000  0.0000  0.0001  0.0002
  0.0000 -0.0002  0.0000  0.5341  0.0002     -0.0001  0.0654 -0.0001 -0.0000  0.0001
 -0.0001  0.0001 -0.0000  0.0002  0.5330      0.0191 -0.0001 -0.0002 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4057  v = -0.0009  0.5283 -0.0005  0.2270  0.0229 -0.0022 -0.0450 -0.0002  0.0251 -0.2270      0.0000  0.2222  0.0004 -0.5257 -0.0440 -0.0005 -0.0235  0.0004 -0.0503  0.5328
  o =  0.4069  v =  0.0022  0.0536 -0.0005 -0.0043  0.0031 -0.0005  0.5804 -0.0001  0.0060  0.0043      0.0000 -0.0035  0.0001 -0.0494  0.5653 -0.0002 -0.0005  0.0001  0.5791  0.0530
  o =  0.5763  v = -0.1534 -0.1621 -0.1228  0.2681  0.0048  0.2316 -0.1137 -0.0043  0.0991  0.5314      0.0000  0.2663 -0.0522  0.0474  0.1433 -0.5905  0.1034 -0.0675 -0.0267  0.2082
  o =  0.5768  v =  0.6220 -0.0235  0.1511  0.0568  0.0007  0.0404  0.1944 -0.0277 -0.1237  0.1529      0.0000  0.0990 -0.1006  0.0055 -0.5628 -0.1723 -0.1239 -0.0130  0.3530  0.0331
  o =  0.5782  v = -0.2072 -0.0157  0.5650  0.0207 -0.0001 -0.0853 -0.2968 -0.0140 -0.4413  0.0577      0.0000  0.0423 -0.2702 -0.0904  0.1807 -0.0690 -0.4430 -0.0751  0.1268 -0.0725
  o =  0.5799  v =  0.0372 -0.3650 -0.0582  0.2883 -0.0010 -0.0687 -0.0016  0.4262  0.0465 -0.0346      0.0000 -0.3192 -0.0228 -0.4208 -0.0279  0.0473  0.0466 -0.5479  0.0318 -0.0569
  o =  0.6242  v = -0.1155  0.2035 -0.1111 -0.2433  0.0034  0.3521  0.1056  0.0279 -0.0679 -0.4515      0.0000 -0.2156 -0.1046 -0.0588 -0.0828 -0.6144 -0.0651 -0.1135 -0.0240 -0.2578
  o =  0.6248  v =  0.6956  0.0296  0.2071 -0.0470  0.0008  0.0300 -0.2233 -0.0082  0.1257 -0.0988      0.0000 -0.0544 -0.0530  0.0033  0.5202 -0.1316  0.1265 -0.0213 -0.2877 -0.0275
  o =  0.6261  v =  0.2181 -0.0182 -0.6834  0.0469  0.0007  0.0782 -0.1534 -0.0136 -0.4374  0.0674      0.0000  0.0259  0.1119 -0.0803  0.1714  0.0902 -0.4368  0.0727 -0.0102 -0.0617
  o =  0.6276  v =  0.0216  0.3381 -0.0673 -0.2833  0.0001 -0.0924 -0.0067  0.4477 -0.0404  0.0608      0.0000  0.3418 -0.0061  0.4119  0.0184  0.0699 -0.0416 -0.5355 -0.0144  0.0751
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0001  0.0000  0.0192
 -0.0001  0.5349 -0.0000 -0.0002  0.0001      0.0000  0.0000  0.0001  0.0651  0.0002
 -0.0001 -0.0000  0.6041 -0.0000 -0.0000      0.0001 -0.0001  0.0000  0.0001 -0.0001
  0.0000 -0.0002 -0.0000  0.5346 -0.0004     -0.0000 -0.0651 -0.0001  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0004  0.5342     -0.0192 -0.0002  0.0001 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0099  0.0000  0.0001 -0.0000      0.0002 -0.0000 -0.0001 -0.0099 -0.0001
 -0.0100 -0.0007  0.0000 -0.0001 -0.0007      0.0001  0.0004 -0.0168 -0.0003 -0.0637
  0.0001  0.0000 -0.0002 -0.0168  0.0001     -0.0000  0.0168  0.0001  0.0000 -0.0000
 -0.0001  0.0003  0.0168 -0.0011 -0.0638      0.0099 -0.0001  0.0000  0.0003 -0.0007
  0.0000  0.0007  0.0000  0.0634 -0.0005     -0.0000  0.0636  0.0001  0.0008  0.0003
 
spin component  3
 
 -0.0002 -0.0100  0.0001 -0.0001  0.0000     -0.0002 -0.0001  0.0000 -0.0099  0.0000
  0.0099 -0.0007  0.0000  0.0003  0.0007      0.0000 -0.0004 -0.0168  0.0001 -0.0636
  0.0000  0.0000 -0.0002  0.0168  0.0000      0.0001  0.0168 -0.0001 -0.0000 -0.0001
  0.0001 -0.0001 -0.0168 -0.0011  0.0634      0.0099  0.0003 -0.0000 -0.0003 -0.0008
 -0.0000 -0.0007  0.0001 -0.0638 -0.0005      0.0001  0.0637  0.0000  0.0007 -0.0003
 
spin component  4
 
  0.6033  0.0000 -0.0002  0.0000 -0.0000     -0.0000  0.0000 -0.0001  0.0000 -0.0193
  0.0000  0.5356  0.0000 -0.0001 -0.0002     -0.0000  0.0000  0.0001 -0.0657 -0.0001
 -0.0002  0.0000  0.6045 -0.0000 -0.0002      0.0001 -0.0001 -0.0000  0.0001  0.0001
  0.0000 -0.0001 -0.0000  0.5356  0.0001     -0.0000  0.0657 -0.0001 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0002  0.0001  0.5351      0.0193  0.0001 -0.0001  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4062  v =  0.0019 -0.2536 -0.0003 -0.0631  0.0410  0.0013  0.5126 -0.0001  0.0429  0.0620      0.0000 -0.0635  0.0001  0.2587  0.5114  0.0002 -0.0401 -0.0003  0.5145 -0.2505
  o =  0.4070  v = -0.0011 -0.5087 -0.0003 -0.0993 -0.0359  0.0014 -0.2620 -0.0002 -0.0375  0.0947      0.0000 -0.0924 -0.0002  0.5049 -0.2595  0.0002  0.0332 -0.0007 -0.2571 -0.5030
  o =  0.5763  v = -0.4335 -0.2380 -0.0595  0.0853  0.0023  0.4836 -0.2305  0.0947  0.0480  0.0218      0.0000 -0.0649 -0.0330  0.2059  0.4034 -0.0263  0.0517 -0.0165 -0.1735  0.4491
  o =  0.5767  v = -0.4755  0.0832 -0.0788 -0.1424 -0.0035 -0.4134 -0.2048 -0.1407  0.0651 -0.0513      0.0000  0.0916  0.0107 -0.2890  0.4388  0.0534  0.0598 -0.1282 -0.2271 -0.3768
  o =  0.5785  v = -0.1188  0.4975 -0.0576  0.2701  0.0023 -0.1495  0.0016  0.2953  0.0438  0.0887      0.0000 -0.1876  0.0720  0.3721  0.0980 -0.1014  0.0474  0.5601 -0.1045 -0.1311
  o =  0.5790  v = -0.1144  0.0460  0.6712 -0.0094  0.0021 -0.0087 -0.0428 -0.0386 -0.5038  0.0445      0.0000  0.0575  0.0053  0.0380  0.0972 -0.0581 -0.5018  0.0563 -0.0498 -0.0070
  o =  0.6243  v =  0.5452 -0.0210  0.1496  0.0627 -0.0012  0.2414 -0.2021  0.1149  0.0930  0.2674      0.0000  0.2028  0.0027 -0.1998  0.3971  0.3634  0.0927  0.1845 -0.1936 -0.1808
  o =  0.6245  v = -0.4738  0.0357 -0.0962  0.1414 -0.0013  0.3190  0.1894  0.0355 -0.0620  0.3313      0.0000  0.1900 -0.0318 -0.1918 -0.3371  0.4587 -0.0621  0.1252  0.1513 -0.2284
  o =  0.6262  v =  0.1241  0.3032 -0.1644  0.3999 -0.0001  0.1969  0.0046 -0.5633 -0.1152  0.0739      0.0000 -0.3281 -0.0848  0.1570  0.0994  0.0934 -0.1116 -0.3553 -0.1069 -0.1505
  o =  0.6267  v = -0.1473  0.0584  0.6793  0.1121  0.0012  0.0719  0.0265 -0.1962  0.4521 -0.0183      0.0000 -0.1350  0.0413  0.0064 -0.1122 -0.0198  0.4544 -0.0520  0.0817 -0.0547
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5894  0.0001 -0.0001  0.0000 -0.0000     -0.0000  0.0001 -0.0002 -0.0001  0.0184
  0.0001  0.5366  0.0001 -0.0002 -0.0001     -0.0001 -0.0000 -0.0001  0.0448  0.0004
 -0.0001  0.0001  0.5930  0.0001 -0.0000      0.0002  0.0001 -0.0000 -0.0000  0.0000
  0.0000 -0.0002  0.0001  0.5365  0.0002      0.0001 -0.0448  0.0000 -0.0000 -0.0001
 -0.0000 -0.0001 -0.0000  0.0002  0.5422     -0.0184 -0.0004 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0002  0.0091 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0092 -0.0000
 -0.0091  0.0017 -0.0000 -0.0000  0.0007     -0.0001 -0.0002 -0.0157  0.0003 -0.0412
 -0.0000  0.0000  0.0003 -0.0157 -0.0000      0.0001  0.0156  0.0000 -0.0001  0.0000
  0.0000 -0.0000  0.0156  0.0025 -0.0413      0.0091  0.0004  0.0000 -0.0002  0.0007
 -0.0001 -0.0007 -0.0001  0.0414  0.0015     -0.0000  0.0412 -0.0000 -0.0006 -0.0002
 
spin component  3
 
  0.0002 -0.0091 -0.0000  0.0000 -0.0001      0.0000  0.0001 -0.0001 -0.0091  0.0000
  0.0091  0.0017  0.0000 -0.0000 -0.0007      0.0000  0.0002 -0.0156 -0.0004 -0.0412
 -0.0000 -0.0000  0.0003  0.0156 -0.0001     -0.0000  0.0157 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0157  0.0025  0.0414      0.0092 -0.0003  0.0001  0.0002  0.0006
  0.0000  0.0007 -0.0000 -0.0413  0.0015      0.0000  0.0412 -0.0000 -0.0007  0.0002
 
spin component  4
 
  0.5895 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0002 -0.0000 -0.0183
 -0.0000  0.5368  0.0001 -0.0003  0.0001      0.0000  0.0000 -0.0001 -0.0449  0.0004
 -0.0001  0.0001  0.5930 -0.0001  0.0001      0.0002  0.0001  0.0000 -0.0000 -0.0000
 -0.0000 -0.0003 -0.0001  0.5369 -0.0003      0.0000  0.0449  0.0000  0.0000  0.0002
 -0.0000  0.0001  0.0001 -0.0003  0.5427      0.0183 -0.0004  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4534  v =  0.0018  0.5635  0.0002  0.0668  0.0843 -0.0058  0.1228 -0.0011  0.0861 -0.0659      0.0000  0.0743 -0.0013 -0.5695  0.1143 -0.0007 -0.0927 -0.0010  0.1452  0.5209
  o =  0.4535  v = -0.0047  0.1240 -0.0005  0.1079  0.0111 -0.0001 -0.5704  0.0003  0.0091 -0.1004      0.0000  0.1067 -0.0004 -0.1037 -0.5304 -0.0007 -0.0104  0.0013 -0.5664  0.1143
  o =  0.5616  v = -0.4916  0.2389  0.1020  0.1397  0.0019 -0.2968 -0.2966  0.0543 -0.1051  0.1861      0.0000  0.0267 -0.0623 -0.0536  0.5102 -0.1766 -0.1071  0.0884 -0.1765 -0.3118
  o =  0.5626  v =  0.3694  0.1735 -0.0374  0.2353  0.0016 -0.4019  0.1022  0.0946  0.0395  0.3107      0.0000  0.0509 -0.0636 -0.1905 -0.3704 -0.3102  0.0333 -0.0112  0.2312 -0.4083
  o =  0.5644  v =  0.0504  0.5005 -0.1987 -0.2072 -0.0065 -0.0413 -0.0521 -0.1943  0.1807 -0.0758      0.0000  0.1507 -0.0931  0.4638 -0.0421  0.0808  0.1861  0.5296  0.1102 -0.0439
  o =  0.5648  v = -0.1550 -0.1767 -0.5556  0.0430 -0.0034  0.0280 -0.0573 -0.0207  0.5037  0.1240      0.0000  0.0895  0.0084 -0.1556  0.1369 -0.1419  0.4982 -0.1882 -0.0716  0.0282
  o =  0.6076  v = -0.6009 -0.1619  0.1181 -0.1140 -0.0015 -0.3723  0.2368  0.0600  0.0525 -0.1862      0.0000 -0.0601 -0.0875  0.0732 -0.4034 -0.2761  0.0534  0.1006  0.1454  0.2456
  o =  0.6081  v = -0.4646  0.1318  0.0398  0.1691  0.0034  0.4550  0.1211 -0.0811  0.0190  0.2715      0.0000  0.0858  0.0655 -0.1622 -0.3265  0.3916  0.0174  0.0238  0.1812 -0.3203
  o =  0.6101  v = -0.0820  0.2831 -0.0694 -0.2771 -0.0042  0.0299 -0.1764  0.4592 -0.0460 -0.0537      0.0000  0.2275  0.3775  0.2684 -0.0599 -0.0638 -0.0394 -0.4996  0.2405 -0.0260
  o =  0.6105  v = -0.1076  0.1159 -0.6659  0.1247 -0.0032  0.0084  0.0798 -0.3192 -0.3644 -0.0855      0.0000 -0.2177 -0.0717  0.1142 -0.0860 -0.1163 -0.3717 -0.2072  0.0037 -0.0033
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5893 -0.0001 -0.0002  0.0000 -0.0000     -0.0000 -0.0001 -0.0000  0.0001  0.0183
 -0.0001  0.5362  0.0000 -0.0003  0.0000      0.0001  0.0000  0.0000  0.0451 -0.0001
 -0.0002  0.0000  0.5927 -0.0000 -0.0001      0.0000 -0.0000  0.0000 -0.0001  0.0000
  0.0000 -0.0003 -0.0000  0.5361 -0.0000     -0.0001 -0.0451  0.0001  0.0000  0.0001
 -0.0000  0.0000 -0.0001 -0.0000  0.5410     -0.0183  0.0001 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0003  0.0090  0.0000 -0.0000  0.0000     -0.0001  0.0000 -0.0001 -0.0090 -0.0000
 -0.0091 -0.0003 -0.0000 -0.0000  0.0007     -0.0001 -0.0002 -0.0156  0.0000 -0.0413
  0.0000 -0.0000 -0.0001 -0.0157 -0.0000     -0.0000  0.0157  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0157 -0.0004 -0.0414      0.0091 -0.0001  0.0000 -0.0001  0.0007
  0.0000 -0.0006  0.0000  0.0409 -0.0002      0.0000  0.0409 -0.0000 -0.0006 -0.0001
 
spin component  3
 
 -0.0003 -0.0091  0.0000  0.0000  0.0000      0.0001  0.0001  0.0000 -0.0091 -0.0000
  0.0090 -0.0003 -0.0000  0.0000 -0.0006     -0.0000  0.0002 -0.0157  0.0001 -0.0409
  0.0000 -0.0000 -0.0001  0.0157  0.0000      0.0001  0.0156 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0157 -0.0004  0.0409      0.0090 -0.0000 -0.0000  0.0001  0.0006
  0.0000  0.0007 -0.0000 -0.0414 -0.0002      0.0000  0.0413 -0.0000 -0.0007  0.0001
 
spin component  4
 
  0.5895  0.0000 -0.0002  0.0001 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0184
  0.0000  0.5378  0.0000 -0.0003 -0.0000     -0.0000  0.0000  0.0000 -0.0449 -0.0000
 -0.0002  0.0000  0.5931  0.0000 -0.0001      0.0000 -0.0000  0.0000  0.0000 -0.0001
  0.0001 -0.0003  0.0000  0.5376  0.0001     -0.0000  0.0449 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0001  0.0001  0.5434      0.0184  0.0000  0.0001  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4537  v =  0.0032  0.0343  0.0003 -0.3003  0.0142 -0.0002  0.5055 -0.0003  0.0117  0.2728      0.0000 -0.2983  0.0000 -0.0299  0.4796  0.0024 -0.0163  0.0004  0.5073  0.0297
  o =  0.4538  v = -0.0023 -0.0136 -0.0002 -0.5122 -0.0444  0.0000 -0.2944  0.0006 -0.0499  0.4665      0.0000 -0.5128  0.0003  0.0144 -0.2771  0.0048  0.0478 -0.0003 -0.2938 -0.0130
  o =  0.5618  v = -0.6137  0.0027  0.0815 -0.0204 -0.0000 -0.0539 -0.2987  0.0242 -0.0858 -0.0996      0.0000 -0.0673 -0.0031 -0.0429  0.6286  0.0955 -0.0863 -0.0181 -0.2917 -0.0527
  o =  0.5622  v = -0.1122 -0.0252  0.0002  0.1937  0.0032  0.3021 -0.0487 -0.0489 -0.0021  0.5430      0.0000  0.2969  0.0090  0.2564  0.1168 -0.5260  0.0015  0.1149 -0.0629  0.3114
  o =  0.5642  v =  0.0231  0.3006  0.0633  0.3750 -0.0007  0.1076 -0.0422  0.4539 -0.0565 -0.0950      0.0000 -0.4583 -0.0578  0.3879 -0.0230  0.1020 -0.0529  0.3761  0.0631  0.0994
  o =  0.5650  v = -0.1007  0.0798 -0.6122  0.0006 -0.0025 -0.0169 -0.0463  0.0132  0.5409 -0.0265      0.0000 -0.0275 -0.0082  0.0667  0.0845  0.0320  0.5402  0.0806 -0.0302 -0.0134
  o =  0.6074  v = -0.7220 -0.0732  0.0959  0.0141 -0.0004 -0.2491  0.2379  0.0293  0.0412  0.0598      0.0000  0.0403 -0.0052  0.0864 -0.4879  0.0858  0.0406 -0.0163  0.2284  0.1750
  o =  0.6080  v =  0.2711 -0.2000 -0.0017  0.0317 -0.0011 -0.6816 -0.0838  0.0955  0.0015  0.1591      0.0000  0.1158 -0.0031  0.2313  0.1801  0.2319  0.0007 -0.0353 -0.0888  0.4660
  o =  0.6101  v =  0.0145 -0.1819  0.2086 -0.3369 -0.0014  0.0800 -0.0091  0.6481  0.1204  0.0376      0.0000  0.3702  0.0032 -0.2410  0.0134  0.0477  0.1174  0.3893 -0.0029 -0.0661
  o =  0.6104  v =  0.0719  0.0522  0.7457  0.0965  0.0000  0.0062 -0.0027 -0.1943  0.4212 -0.0139      0.0000 -0.1121 -0.0465  0.0487  0.0618 -0.0163  0.4226 -0.0924 -0.0547 -0.0019
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6032  0.0001  0.0001 -0.0001  0.0001      0.0000  0.0000 -0.0000  0.0000  0.0194
  0.0001  0.5364 -0.0000  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0657  0.0001
  0.0001 -0.0000  0.6046  0.0001 -0.0000      0.0000  0.0000 -0.0000  0.0000  0.0001
 -0.0001  0.0000  0.0001  0.5367 -0.0003     -0.0000 -0.0657 -0.0000 -0.0000 -0.0001
  0.0001  0.0001 -0.0000 -0.0003  0.5365     -0.0194 -0.0001 -0.0001  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0100  0.0002 -0.0000  0.0001      0.0000  0.0001  0.0000 -0.0100  0.0001
 -0.0098 -0.0005 -0.0000  0.0001  0.0006     -0.0000  0.0001 -0.0167 -0.0003 -0.0633
 -0.0000 -0.0000 -0.0000 -0.0168  0.0000      0.0000  0.0168  0.0000  0.0000  0.0000
  0.0001 -0.0001  0.0167 -0.0007 -0.0630      0.0098  0.0000 -0.0001 -0.0001  0.0007
  0.0000 -0.0007 -0.0000  0.0641 -0.0004      0.0000  0.0640 -0.0000 -0.0007 -0.0000
 
spin component  3
 
 -0.0001 -0.0098 -0.0000  0.0001  0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
  0.0100 -0.0005 -0.0000 -0.0001 -0.0007     -0.0001 -0.0001 -0.0168 -0.0000 -0.0640
  0.0002 -0.0000 -0.0000  0.0167 -0.0000     -0.0000  0.0167 -0.0000  0.0001  0.0000
 -0.0000  0.0001 -0.0168 -0.0007  0.0641      0.0100  0.0003 -0.0000  0.0001  0.0007
  0.0001  0.0006  0.0000 -0.0630 -0.0004     -0.0001  0.0633 -0.0000 -0.0007  0.0000
 
spin component  4
 
  0.6029  0.0000  0.0001  0.0000 -0.0000     -0.0000 -0.0001  0.0001 -0.0000 -0.0191
  0.0000  0.5336 -0.0000  0.0001  0.0001      0.0001 -0.0000  0.0000 -0.0649 -0.0001
  0.0001 -0.0000  0.6040  0.0000 -0.0001     -0.0001 -0.0000  0.0000 -0.0000 -0.0001
  0.0000  0.0001  0.0000  0.5334  0.0001      0.0000  0.0649  0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0001  0.0001  0.5325      0.0191  0.0001  0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4059  v =  0.0003 -0.5698  0.0001 -0.0027  0.0389  0.0018  0.0647  0.0001  0.0396  0.0052      0.0000 -0.0073 -0.0005  0.5699  0.0644 -0.0002 -0.0405 -0.0002  0.0686 -0.5768
  o =  0.4071  v = -0.0018 -0.0588  0.0001 -0.0496  0.0965  0.0000 -0.5690 -0.0001  0.1011  0.0519      0.0000 -0.0513 -0.0002  0.0542 -0.5542  0.0006 -0.0973 -0.0002 -0.5677 -0.0598
  o =  0.5761  v = -0.1479 -0.3175  0.0228 -0.0661  0.0014  0.6388 -0.1004 -0.0797 -0.0244 -0.0027      0.0000  0.0635 -0.0373  0.2747  0.1410  0.0028 -0.0236 -0.0269 -0.0395  0.5863
  o =  0.5766  v =  0.6166 -0.0450 -0.1781 -0.0355 -0.0006  0.1490  0.2081 -0.0311  0.1495 -0.0177      0.0000  0.0166 -0.0808  0.0848 -0.5684  0.0205  0.1489  0.0243  0.3445  0.1295
  o =  0.5778  v = -0.2050  0.0107 -0.5846 -0.0141 -0.0010 -0.0346 -0.2715  0.0074  0.4690 -0.0369      0.0000 -0.0267 -0.2292 -0.0231  0.1814  0.0441  0.4690 -0.0087  0.0991 -0.0327
  o =  0.5795  v =  0.0385 -0.4624 -0.0070  0.2506  0.0010  0.0215  0.0130  0.2925  0.0026  0.0761      0.0000 -0.1771 -0.0022 -0.4486 -0.0278 -0.0908  0.0059 -0.6226  0.0182  0.0160
  o =  0.6239  v = -0.1705  0.2978  0.0659  0.1463 -0.0020  0.6660  0.0686 -0.0800  0.0370  0.1915      0.0000  0.0490 -0.0135 -0.1898 -0.1189  0.2659  0.0357 -0.0843  0.0501 -0.4791
  o =  0.6244  v =  0.6579  0.0420 -0.2913  0.0731 -0.0003  0.1482 -0.1867 -0.0662 -0.1754  0.0632      0.0000 -0.0083 -0.0831 -0.0728  0.4826  0.0863 -0.1762  0.0273 -0.2864 -0.1131
  o =  0.6256  v =  0.2964 -0.0002  0.6637  0.0092  0.0008  0.0235 -0.2170 -0.0242  0.4126 -0.0115      0.0000 -0.0231  0.1695 -0.0163  0.2267 -0.0147  0.4141  0.0132 -0.0017 -0.0155
  o =  0.6270  v =  0.0678  0.3549 -0.0045 -0.3890  0.0015  0.0547 -0.0225  0.5121 -0.0021 -0.0792      0.0000  0.3109 -0.0072  0.3114  0.0526 -0.1002 -0.0037 -0.4863 -0.0321 -0.0455
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6031 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000  0.0001 -0.0000  0.0191
 -0.0001  0.5342  0.0000  0.0001  0.0001      0.0000  0.0000  0.0001  0.0644 -0.0001
 -0.0000  0.0000  0.6044 -0.0000 -0.0000     -0.0001 -0.0001 -0.0000  0.0001  0.0001
 -0.0000  0.0001 -0.0000  0.5342 -0.0002      0.0000 -0.0644 -0.0001  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0002  0.5336     -0.0191  0.0001 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0098  0.0001 -0.0000 -0.0000      0.0000  0.0001  0.0000 -0.0098  0.0001
 -0.0099 -0.0006 -0.0000 -0.0001  0.0006     -0.0001  0.0004 -0.0167 -0.0001 -0.0635
  0.0000 -0.0000 -0.0001 -0.0167  0.0001      0.0000  0.0167 -0.0000 -0.0000 -0.0000
  0.0001  0.0002  0.0166 -0.0010 -0.0635      0.0099 -0.0003 -0.0000  0.0002  0.0006
  0.0001 -0.0007  0.0001  0.0630 -0.0005      0.0000  0.0632  0.0000 -0.0007  0.0002
 
spin component  3
 
 -0.0002 -0.0099  0.0000  0.0001  0.0001     -0.0000  0.0001 -0.0000 -0.0099 -0.0000
  0.0098 -0.0006 -0.0000  0.0002 -0.0007     -0.0001 -0.0004 -0.0167  0.0003 -0.0632
  0.0001 -0.0000 -0.0001  0.0166  0.0001     -0.0000  0.0167  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0167 -0.0010  0.0630      0.0098  0.0001  0.0000 -0.0002  0.0007
 -0.0000  0.0006  0.0001 -0.0635 -0.0005     -0.0001  0.0635  0.0000 -0.0006 -0.0002
 
spin component  4
 
  0.6032  0.0000 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0001 -0.0193
  0.0000  0.5349 -0.0000  0.0000 -0.0002     -0.0000 -0.0000  0.0000 -0.0651  0.0002
 -0.0000 -0.0000  0.6047  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0002
 -0.0000  0.0000  0.0000  0.5350  0.0004     -0.0001  0.0651 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.0004  0.5346      0.0193 -0.0002  0.0002  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4063  v = -0.0018  0.1823 -0.0002  0.0940 -0.0538 -0.0001 -0.5360 -0.0002 -0.0510 -0.0949      0.0000  0.0987 -0.0002 -0.1873 -0.5346 -0.0004  0.0561  0.0000 -0.5378  0.1820
  o =  0.4074  v =  0.0008  0.3122 -0.0000  0.4391 -0.0771 -0.0011  0.1940  0.0002 -0.0727 -0.4369      0.0000  0.4419  0.0001 -0.3136  0.1943 -0.0008  0.0769  0.0001  0.1911  0.3100
  o =  0.5759  v =  0.4748  0.2166 -0.0729  0.2133  0.0021 -0.3130  0.2472  0.0912  0.0627  0.2697      0.0000  0.0531  0.0270 -0.0817 -0.4496 -0.2851  0.0647  0.0764  0.2000 -0.2985
  o =  0.5764  v =  0.4425 -0.1371 -0.0341 -0.2137 -0.0002  0.3417  0.1558 -0.0654  0.0294 -0.3210      0.0000 -0.1036 -0.0574  0.1715 -0.4058  0.3462  0.0291  0.0233  0.2472  0.3145
  o =  0.5779  v =  0.0826 -0.5059  0.0024 -0.0853 -0.0011  0.0178  0.0084 -0.1714 -0.0002  0.1089      0.0000  0.1886 -0.0390 -0.4897 -0.0722 -0.1253  0.0004 -0.6209  0.0686  0.0166
  o =  0.5787  v =  0.0885  0.0050  0.6435 -0.0046 -0.0027  0.0322  0.1626 -0.0363 -0.4971  0.0455      0.0000  0.0554  0.1636  0.0326 -0.0744 -0.0567 -0.5005  0.0233 -0.0923  0.0280
  o =  0.6237  v =  0.5805 -0.1533 -0.1242 -0.1947  0.0025 -0.2648 -0.2251  0.1219 -0.0725 -0.2500      0.0000 -0.0542  0.0343  0.0307  0.4102 -0.3539 -0.0707  0.1054 -0.1866  0.1827
  o =  0.6241  v = -0.4575 -0.1776  0.0591 -0.2243  0.0042 -0.3212  0.1265  0.0934  0.0348 -0.3389      0.0000 -0.1131  0.0647  0.0536 -0.3330 -0.4692  0.0381  0.1041  0.2074  0.2346
  o =  0.6255  v =  0.0175 -0.2768 -0.0315  0.4097 -0.0004 -0.1698 -0.1225 -0.6098 -0.0236  0.0600      0.0000 -0.3517  0.1817 -0.1526  0.0113  0.0779 -0.0188  0.3446  0.1110  0.1299
  o =  0.6260  v =  0.1324  0.0892  0.6966  0.0285 -0.0010  0.0215 -0.0893 -0.1084  0.4503 -0.0745      0.0000 -0.1067  0.0594  0.0739  0.1037 -0.0989  0.4496 -0.1282 -0.0128 -0.0162
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5898  0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0181
  0.0000  0.5384  0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0002  0.0430  0.0007
 -0.0001  0.0000  0.5925  0.0000 -0.0000      0.0001  0.0002  0.0000  0.0000 -0.0001
  0.0000  0.0000  0.0000  0.5384  0.0004      0.0000 -0.0430 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0004  0.5416     -0.0181 -0.0007  0.0001  0.0000 -0.0000
 
spin component  2
 
  0.0002  0.0090  0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0001 -0.0090 -0.0000
 -0.0091  0.0012 -0.0000  0.0001 -0.0007      0.0000 -0.0002 -0.0157  0.0003 -0.0396
 -0.0000  0.0000  0.0002 -0.0156 -0.0001     -0.0001  0.0156 -0.0001  0.0000  0.0000
  0.0000 -0.0000  0.0156  0.0018 -0.0397      0.0091  0.0002 -0.0000 -0.0001 -0.0007
 -0.0000  0.0007 -0.0000  0.0397  0.0011      0.0000  0.0397 -0.0000  0.0007 -0.0001
 
spin component  3
 
  0.0002 -0.0091 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0001 -0.0091 -0.0000
  0.0090  0.0012  0.0000 -0.0000  0.0007      0.0000  0.0002 -0.0156 -0.0002 -0.0397
  0.0000 -0.0000  0.0002  0.0156 -0.0000      0.0001  0.0157  0.0001  0.0000  0.0000
  0.0000  0.0001 -0.0156  0.0018  0.0397      0.0090 -0.0003 -0.0000  0.0001 -0.0007
 -0.0001 -0.0007 -0.0001 -0.0397  0.0011      0.0000  0.0396 -0.0000  0.0007  0.0001
 
spin component  4
 
  0.5900 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0181
 -0.0000  0.5386  0.0000  0.0002  0.0001      0.0000  0.0000 -0.0001 -0.0429  0.0008
 -0.0001  0.0000  0.5925 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0001
  0.0000  0.0002 -0.0001  0.5389 -0.0003      0.0000  0.0429  0.0000  0.0000  0.0002
 -0.0000  0.0001 -0.0000 -0.0003  0.5421      0.0181 -0.0008 -0.0001 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4578  v = -0.0018  0.4553  0.0009  0.1873  0.0577 -0.0031 -0.3285  0.0003  0.0527 -0.1763      0.0000  0.1836 -0.0009 -0.4425 -0.3114 -0.0012 -0.0637  0.0007 -0.3146  0.4277
  o =  0.4583  v =  0.0042  0.3163  0.0001  0.0726 -0.0028 -0.0034  0.4831 -0.0001 -0.0035 -0.0666      0.0000  0.0711 -0.0003 -0.3327  0.4583 -0.0005  0.0039 -0.0013  0.4924  0.2975
  o =  0.5616  v = -0.5577  0.1605 -0.1135 -0.0588 -0.0024 -0.2152 -0.3025 -0.0299  0.1126 -0.0673      0.0000 -0.0003 -0.0243 -0.0643  0.5898  0.0640  0.1132  0.0495 -0.2562 -0.2309
  o =  0.5620  v = -0.2332 -0.2822 -0.0318  0.1999 -0.0000  0.5314 -0.0989  0.1114  0.0344  0.1956      0.0000 -0.0158  0.0128  0.2381  0.2443 -0.1838  0.0258 -0.0218 -0.1222  0.5606
  o =  0.5644  v = -0.0610  0.1787  0.3925  0.3932  0.0045 -0.0976 -0.0873  0.4292 -0.3495  0.0196      0.0000 -0.3888 -0.0683  0.0943  0.0619 -0.0157 -0.3591  0.1519  0.0374 -0.0979
  o =  0.5645  v = -0.1267 -0.2608  0.4396 -0.2978 -0.0021  0.0519  0.0494 -0.2887 -0.3971 -0.0719      0.0000  0.2193  0.1200 -0.2175  0.1205  0.0765 -0.3873 -0.2670 -0.1684  0.0527
  o =  0.6073  v =  0.7688  0.0122  0.1361  0.0353 -0.0004 -0.0123 -0.2545 -0.0194  0.0686  0.0510      0.0000  0.0155  0.0248  0.0206  0.5016  0.0796  0.0669 -0.0312 -0.2270  0.0146
  o =  0.6075  v = -0.0660 -0.1468 -0.0514  0.2432  0.0077 -0.2220  0.0289 -0.0300 -0.0268  0.4799      0.0000  0.2140 -0.0124 -0.0091 -0.0432  0.7332 -0.0269  0.1523  0.0116  0.1438
  o =  0.6097  v =  0.0909 -0.1937 -0.3225 -0.3550 -0.0055 -0.0919  0.0950  0.5896 -0.1850 -0.0553      0.0000  0.2981 -0.2291 -0.1365  0.0655 -0.0811 -0.1790  0.2974 -0.1614  0.0671
  o =  0.6101  v = -0.1051  0.0043  0.6636 -0.2026 -0.0009 -0.0734  0.0426  0.3976  0.3653  0.0223      0.0000  0.2342 -0.0133  0.0529 -0.0770  0.0363  0.3704 -0.0476  0.0293  0.0536
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5897  0.0000 -0.0001  0.0000  0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0180
  0.0000  0.5383 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0001  0.0433 -0.0001
 -0.0001 -0.0000  0.5928 -0.0000  0.0000      0.0001 -0.0001  0.0000  0.0001 -0.0000
  0.0000  0.0000 -0.0000  0.5381 -0.0001      0.0000 -0.0433 -0.0001  0.0000  0.0001
  0.0000  0.0001  0.0000 -0.0001  0.5410     -0.0180  0.0001  0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0090 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0090 -0.0001
 -0.0091 -0.0001 -0.0000 -0.0001 -0.0007      0.0000 -0.0000 -0.0156 -0.0001 -0.0398
  0.0000 -0.0000  0.0001 -0.0156 -0.0000     -0.0000  0.0157  0.0001  0.0001 -0.0001
  0.0000 -0.0000  0.0156 -0.0002 -0.0398      0.0091  0.0000  0.0000 -0.0000 -0.0007
  0.0000  0.0007 -0.0000  0.0395 -0.0000     -0.0000  0.0395 -0.0000  0.0007  0.0001
 
spin component  3
 
 -0.0000 -0.0091  0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0091  0.0000
  0.0090 -0.0001 -0.0000 -0.0000  0.0007     -0.0000  0.0000 -0.0157 -0.0000 -0.0395
 -0.0000 -0.0000  0.0001  0.0156 -0.0000      0.0000  0.0156 -0.0001 -0.0000  0.0000
  0.0000 -0.0001 -0.0156 -0.0002  0.0395      0.0090  0.0001 -0.0001  0.0000 -0.0007
  0.0000 -0.0007 -0.0000 -0.0398 -0.0000      0.0001  0.0398  0.0001  0.0007 -0.0001
 
spin component  4
 
  0.5899 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0182
 -0.0000  0.5391  0.0000  0.0001 -0.0001      0.0000  0.0000 -0.0000 -0.0426 -0.0001
 -0.0001  0.0000  0.5926  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
 -0.0000  0.0001  0.0000  0.5389 -0.0001     -0.0000  0.0426 -0.0000  0.0000 -0.0001
 -0.0000 -0.0001 -0.0000 -0.0001  0.5427      0.0182  0.0001 -0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4580  v = -0.0012 -0.4966 -0.0002 -0.2564  0.0314  0.0038 -0.1928 -0.0009  0.0307  0.2366      0.0000 -0.2510 -0.0000  0.4938 -0.1847  0.0016 -0.0328 -0.0006 -0.1924 -0.4620
  o =  0.4582  v =  0.0040 -0.1846 -0.0005 -0.0675 -0.0180  0.0019  0.5505 -0.0003 -0.0167  0.0613      0.0000 -0.0655 -0.0001  0.1871  0.5292  0.0005  0.0218  0.0003  0.5518 -0.1721
  o =  0.5616  v = -0.5829  0.0312 -0.1113 -0.0793  0.0001  0.0039 -0.2998  0.0053  0.1087 -0.1782      0.0000 -0.0850 -0.0103  0.0345  0.6133  0.1656  0.1084  0.0347 -0.2864  0.0030
  o =  0.5618  v = -0.1703 -0.1102 -0.0228  0.2746 -0.0007 -0.0290 -0.0637 -0.0099  0.0225  0.6126      0.0000  0.2938  0.0205 -0.1388  0.1779 -0.5794  0.0238 -0.1276 -0.1046 -0.0310
  o =  0.5644  v = -0.0188 -0.5174  0.1061  0.0222 -0.0013 -0.0226 -0.0105  0.0943 -0.0975 -0.1431      0.0000 -0.1479 -0.0004 -0.5371  0.0202  0.1421 -0.0987 -0.5826 -0.0047 -0.0234
  o =  0.5646  v = -0.1245  0.0820  0.5940 -0.0050  0.0025  0.0294 -0.0504 -0.0146 -0.5382  0.0168      0.0000  0.0206  0.0045  0.1083  0.1220 -0.0177 -0.5366  0.1077 -0.0609  0.0282
  o =  0.6072  v =  0.7346  0.0765  0.1106 -0.0666  0.0011  0.1987 -0.2385  0.0397  0.0544 -0.1016      0.0000 -0.0285  0.0108 -0.0471  0.4770 -0.1564  0.0549 -0.0284 -0.2252 -0.1307
  o =  0.6075  v = -0.2514  0.2236 -0.0473 -0.1859  0.0003  0.5811  0.0922  0.0953 -0.0228 -0.2916      0.0000 -0.0893 -0.0185 -0.1375 -0.1655 -0.4430 -0.0231 -0.0851  0.0687 -0.3819
  o =  0.6099  v = -0.0638 -0.1148  0.4642  0.2944  0.0037  0.0936 -0.0158 -0.5600  0.2548 -0.0341      0.0000 -0.3265  0.0660 -0.1777 -0.0457 -0.0467  0.2594  0.2636  0.0587 -0.0693
  o =  0.6100  v =  0.0920 -0.0792 -0.6124  0.2320 -0.0022  0.0724  0.0303 -0.4307 -0.3368 -0.0103      0.0000 -0.2404 -0.1125 -0.1260  0.0668 -0.0124 -0.3379  0.1871 -0.0918 -0.0514
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5995  0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0001 -0.0000  0.0190
  0.0000  0.5211 -0.0001 -0.0002 -0.0001      0.0000  0.0000 -0.0001  0.0381 -0.0006
 -0.0001 -0.0001  0.6012  0.0000 -0.0000     -0.0001  0.0001  0.0000  0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5207 -0.0003      0.0000 -0.0381 -0.0000  0.0000  0.0004
 -0.0000 -0.0001 -0.0000 -0.0003  0.5310     -0.0190  0.0006 -0.0000 -0.0004 -0.0000
 
spin component  2
 
  0.0001  0.0094 -0.0000  0.0000 -0.0000      0.0001  0.0000 -0.0000 -0.0094 -0.0000
 -0.0095  0.0012 -0.0000 -0.0000  0.0001     -0.0001  0.0007 -0.0160 -0.0001 -0.0438
  0.0001  0.0000  0.0001 -0.0159 -0.0000     -0.0001  0.0158  0.0001 -0.0000  0.0000
  0.0000 -0.0000  0.0161  0.0011 -0.0437      0.0096 -0.0001  0.0000  0.0009  0.0002
  0.0000 -0.0001  0.0001  0.0439  0.0010     -0.0000  0.0441 -0.0000 -0.0001  0.0007
 
spin component  3
 
  0.0001 -0.0095  0.0001  0.0000  0.0000     -0.0001  0.0001  0.0001 -0.0096  0.0000
  0.0094  0.0012  0.0000 -0.0000 -0.0001     -0.0000 -0.0007 -0.0158  0.0001 -0.0441
 -0.0000 -0.0000  0.0001  0.0161  0.0001      0.0000  0.0160 -0.0001 -0.0000  0.0000
  0.0000 -0.0000 -0.0159  0.0011  0.0439      0.0094  0.0001  0.0000 -0.0009  0.0001
 -0.0000  0.0001 -0.0000 -0.0437  0.0010      0.0000  0.0438 -0.0000 -0.0002 -0.0007
 
spin component  4
 
  0.5994  0.0000 -0.0001  0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0001 -0.0190
  0.0000  0.5261  0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0001 -0.0399 -0.0006
 -0.0001  0.0000  0.6017  0.0000 -0.0001      0.0000  0.0001 -0.0000  0.0001  0.0000
  0.0000 -0.0002  0.0000  0.5260  0.0002      0.0001  0.0399 -0.0001 -0.0000  0.0004
  0.0000  0.0000 -0.0001  0.0002  0.5358      0.0190  0.0006 -0.0000 -0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4416  v = -0.0001  0.1625 -0.0006 -0.5569 -0.0781 -0.0011 -0.0724 -0.0003 -0.0719  0.5201      0.0000 -0.5560  0.0001 -0.1621 -0.0758  0.0038  0.0806  0.0001 -0.0753  0.1518
  o =  0.4428  v =  0.0009  0.0733 -0.0002 -0.0770  0.1687 -0.0005  0.5431 -0.0001  0.1710  0.0709      0.0000 -0.0799 -0.0003 -0.0821  0.5378  0.0005 -0.1691 -0.0003  0.5432  0.0704
  o =  0.5492  v = -0.0399  0.5553  0.0042 -0.3255  0.0018  0.0060 -0.0192 -0.1960 -0.0053 -0.0031      0.0000  0.3226  0.0082  0.5644  0.0743  0.0024 -0.0047  0.3389 -0.0439  0.0125
  o =  0.5547  v =  0.0066  0.0509 -0.2316 -0.0049  0.0031 -0.0523 -0.5300 -0.0042  0.3344  0.0018      0.0000  0.0062 -0.3682 -0.0218 -0.0095 -0.0019  0.3370  0.0084  0.5390 -0.0895
  o =  0.5602  v =  0.4722 -0.0571 -0.0138  0.0406  0.0002  0.1512  0.3220 -0.0225  0.0181  0.1484      0.0000  0.0996 -0.0040  0.1455 -0.6527 -0.1055  0.0188  0.0340  0.3269  0.2143
  o =  0.5629  v =  0.1956  0.2723  0.0545 -0.1820 -0.0016 -0.4042  0.1488 -0.0086 -0.0624 -0.3766      0.0000 -0.1676  0.0222 -0.2215 -0.2509  0.2872 -0.0635  0.0198  0.0964 -0.5323
  o =  0.6113  v = -0.1310 -0.2532  0.1188  0.1011  0.0017  0.0005  0.0365 -0.3331  0.0391  0.0001      0.0000 -0.0999 -0.0309 -0.2529 -0.0564 -0.0042  0.0419  0.8370  0.0159 -0.0007
  o =  0.6123  v =  0.0327  0.0256  0.5994 -0.0332 -0.0016 -0.0432  0.2076 -0.0235  0.2069 -0.0901      0.0000 -0.0485 -0.6283  0.0443  0.0162 -0.1887  0.2051 -0.1177 -0.2241  0.0203
  o =  0.6134  v =  0.8119  0.0107 -0.0538 -0.0010  0.0011  0.2299 -0.1909 -0.0501 -0.0189 -0.0410      0.0000 -0.0392 -0.0119 -0.0967  0.3941 -0.0931 -0.0175  0.1236 -0.2024 -0.1111
  o =  0.6142  v = -0.2444  0.1935 -0.1524 -0.0762  0.0022  0.7240  0.1062 -0.0096 -0.0604 -0.1624      0.0000 -0.0775 -0.1083 -0.1688 -0.1305 -0.3068 -0.0585 -0.0273  0.0214 -0.3824
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6006 -0.0000 -0.0002 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0207
 -0.0000  0.5329 -0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0001  0.0655  0.0006
 -0.0002 -0.0000  0.6027 -0.0000 -0.0000      0.0000 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5322  0.0000      0.0000 -0.0655  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0000  0.5410     -0.0207 -0.0006 -0.0000  0.0002 -0.0000
 
spin component  2
 
 -0.0001  0.0104  0.0000  0.0000 -0.0000     -0.0000  0.0001  0.0001 -0.0104  0.0000
 -0.0105 -0.0015 -0.0000 -0.0000  0.0001     -0.0000 -0.0003 -0.0177 -0.0000 -0.0673
 -0.0000  0.0000 -0.0000 -0.0173 -0.0000     -0.0000  0.0175 -0.0001 -0.0000  0.0000
  0.0000 -0.0000  0.0175 -0.0017 -0.0683      0.0105  0.0000 -0.0000 -0.0004  0.0001
  0.0000 -0.0000 -0.0000  0.0678 -0.0014      0.0001  0.0673  0.0000 -0.0001 -0.0003
 
spin component  3
 
 -0.0001 -0.0105 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0105 -0.0001
  0.0104 -0.0015  0.0000 -0.0000 -0.0000     -0.0001  0.0003 -0.0175 -0.0000 -0.0673
  0.0000 -0.0000 -0.0000  0.0175 -0.0000     -0.0001  0.0177  0.0001  0.0000 -0.0000
  0.0000 -0.0000 -0.0173 -0.0017  0.0678      0.0104  0.0000  0.0000  0.0004  0.0001
 -0.0000  0.0001 -0.0000 -0.0683 -0.0014     -0.0000  0.0673 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6008 -0.0001 -0.0002 -0.0001 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0208
 -0.0001  0.5399 -0.0001 -0.0002 -0.0001     -0.0000 -0.0000  0.0000 -0.0675  0.0006
 -0.0002 -0.0001  0.6031  0.0000  0.0001     -0.0000 -0.0000 -0.0000 -0.0000 -0.0001
 -0.0001 -0.0002  0.0000  0.5395 -0.0000     -0.0000  0.0675  0.0000  0.0000 -0.0002
 -0.0000 -0.0001  0.0001 -0.0000  0.5487      0.0208 -0.0006  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4040  v =  0.0003 -0.2276 -0.0004  0.5458 -0.0068  0.0012 -0.0047  0.0000 -0.0003 -0.5075      0.0000  0.5428 -0.0001  0.2291 -0.0055 -0.0039  0.0080  0.0001 -0.0030 -0.2131
  o =  0.4047  v = -0.0014  0.0038  0.0001 -0.0003  0.0569 -0.0003 -0.5735  0.0000  0.0573  0.0012      0.0000 -0.0030 -0.0003 -0.0116 -0.5724 -0.0003 -0.0573 -0.0005 -0.5775  0.0040
  o =  0.5757  v =  0.1522  0.5187 -0.0099 -0.0940 -0.0010 -0.0327  0.0590 -0.1131  0.0069 -0.0101      0.0000  0.0846  0.0015  0.4922 -0.1240  0.0180  0.0062  0.6422  0.0563 -0.0246
  o =  0.5787  v = -0.6616  0.0212 -0.0831 -0.0042  0.0015  0.2289 -0.3754 -0.0260  0.0514  0.0284      0.0000  0.0311 -0.2112  0.1792  0.4665 -0.0362  0.0533  0.1433 -0.0905  0.1714
  o =  0.5797  v =  0.3291 -0.1521 -0.2356  0.0090  0.0023  0.3779 -0.2206  0.0104  0.1537  0.0075      0.0000 -0.0034 -0.5042  0.0832 -0.2220 -0.0111  0.1565 -0.0521  0.4375  0.2618
  o =  0.5807  v =  0.0821 -0.1551  0.3352  0.0938 -0.0003  0.5496  0.1903 -0.0017 -0.2091  0.2124      0.0000  0.1051  0.2676  0.1837 -0.0467 -0.3226 -0.2093  0.0140 -0.1455  0.3649
  o =  0.6253  v = -0.0971  0.4542  0.0107 -0.1274 -0.0004  0.0043  0.0319  0.1978  0.0099 -0.0032      0.0000  0.1250  0.0046  0.4487 -0.0771  0.0013  0.0097 -0.7093  0.0390 -0.0026
  o =  0.6295  v =  0.2793 -0.0737  0.0639 -0.0024 -0.0016 -0.2318 -0.5602  0.0006  0.0506 -0.0034      0.0000 -0.0005  0.5636  0.1292  0.2563 -0.0037  0.0487 -0.0359  0.3000  0.2204
  o =  0.6304  v =  0.5534  0.0236 -0.0664  0.0084  0.0018 -0.0786 -0.0113  0.0280 -0.0499  0.0595      0.0000  0.0479 -0.3186  0.0958  0.5288  0.0636 -0.0484 -0.0770 -0.5153  0.0708
  o =  0.6328  v =  0.1743  0.2843  0.0948 -0.0899 -0.0007  0.5486 -0.2024  0.0014  0.0807 -0.1822      0.0000 -0.0817  0.1343 -0.2550  0.1825 -0.1757  0.0805 -0.0182  0.0224 -0.5735
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5977 -0.0001 -0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0182
 -0.0001  0.5225  0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000  0.0334 -0.0002
 -0.0000  0.0000  0.5997 -0.0000 -0.0000      0.0001  0.0000 -0.0000  0.0000  0.0001
 -0.0001 -0.0001 -0.0000  0.5225  0.0000      0.0000 -0.0334 -0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0000  0.0000  0.5307     -0.0182  0.0002 -0.0001 -0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0090  0.0001 -0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0090 -0.0000
 -0.0090  0.0001 -0.0001  0.0000  0.0001     -0.0000  0.0000 -0.0156 -0.0000 -0.0346
  0.0000  0.0000 -0.0000 -0.0156  0.0000      0.0000  0.0156 -0.0000 -0.0000 -0.0000
 -0.0001  0.0001  0.0156  0.0002 -0.0345      0.0090  0.0000 -0.0000  0.0000  0.0001
 -0.0000 -0.0001 -0.0000  0.0345  0.0002      0.0001  0.0346 -0.0001 -0.0001 -0.0000
 
spin component  3
 
 -0.0000 -0.0090  0.0000 -0.0001 -0.0000     -0.0001  0.0000 -0.0000 -0.0090 -0.0001
  0.0090  0.0001  0.0000  0.0001 -0.0001     -0.0000 -0.0000 -0.0156 -0.0000 -0.0346
  0.0001 -0.0001 -0.0000  0.0156 -0.0000     -0.0000  0.0156  0.0000  0.0000  0.0001
 -0.0000  0.0000 -0.0156  0.0002  0.0345      0.0090  0.0000  0.0000 -0.0000  0.0001
 -0.0000  0.0001  0.0000 -0.0345  0.0002      0.0000  0.0346  0.0000 -0.0001  0.0000
 
spin component  4
 
  0.5977 -0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0182
 -0.0000  0.5216  0.0000 -0.0001 -0.0001     -0.0000 -0.0000 -0.0000 -0.0334 -0.0002
 -0.0000  0.0000  0.5998 -0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5219  0.0000     -0.0000  0.0334 -0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0000  0.0000  0.5299      0.0182  0.0002  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4562  v =  0.0045  0.1245 -0.0001 -0.1697  0.0537 -0.0008  0.5502 -0.0001  0.0581  0.1595      0.0000 -0.1701  0.0002 -0.1253  0.5088  0.0012 -0.0579  0.0000  0.5484  0.1170
  o =  0.4565  v = -0.0019  0.1607 -0.0000 -0.5255 -0.0843 -0.0013 -0.1917  0.0002 -0.0898  0.4941      0.0000 -0.5264  0.0002 -0.1606 -0.1770  0.0036  0.0910 -0.0001 -0.1911  0.1513
  o =  0.5461  v = -0.0119  0.0223  0.3777  0.0610 -0.0001 -0.0052 -0.0487  0.0287 -0.6512  0.0278      0.0000 -0.0359 -0.0232  0.0124  0.0220 -0.0142 -0.6490  0.0097  0.0287 -0.0100
  o =  0.5468  v = -0.0070  0.5618  0.0021 -0.3173 -0.0018  0.0031 -0.0587 -0.1892 -0.0050  0.0112      0.0000  0.3268 -0.0299  0.5691  0.0165 -0.0052 -0.0063  0.3322  0.0446  0.0072
  o =  0.5516  v =  0.1997 -0.3003  0.0049  0.0890 -0.0002  0.3720  0.1371  0.0055 -0.0088  0.1738      0.0000  0.0734 -0.0135  0.3026 -0.3455 -0.1007 -0.0087  0.0003  0.1817  0.6440
  o =  0.5521  v = -0.3886 -0.1681 -0.0123  0.0501  0.0011  0.1938 -0.3176  0.0067  0.0157  0.0883      0.0000  0.0334 -0.0060  0.1417  0.6691 -0.0521  0.0159 -0.0097 -0.2987  0.3321
  o =  0.6084  v =  0.6498  0.1061 -0.1390  0.0833  0.0007  0.4545 -0.1426 -0.0308 -0.0401  0.1571      0.0000  0.0664  0.0663 -0.0672  0.2614  0.3923 -0.0387 -0.0718 -0.1050 -0.1813
  o =  0.6085  v =  0.5575 -0.0934  0.1640 -0.0704 -0.0016 -0.5114 -0.2020  0.0254  0.0476 -0.1330      0.0000 -0.0567  0.3249  0.1034  0.2266 -0.3318  0.0467 -0.0204 -0.0117  0.2052
  o =  0.6088  v =  0.2590  0.0098 -0.0368 -0.0096  0.0013 -0.0529  0.1898 -0.1405 -0.0111 -0.1077      0.0000 -0.0938 -0.8236  0.0293  0.1042 -0.2716 -0.0097 -0.0659 -0.2891  0.0206
  o =  0.6090  v =  0.0940 -0.2213  0.0767 -0.1325  0.0017  0.0473  0.0153  0.4548  0.0212  0.0022      0.0000  0.1346 -0.1169 -0.2396  0.0386  0.0004  0.0234  0.7840 -0.0521 -0.0191
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5987  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0001  0.0183
  0.0000  0.5223 -0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0000  0.0320 -0.0002
 -0.0001 -0.0000  0.6011  0.0000 -0.0001     -0.0001  0.0000 -0.0000 -0.0000  0.0001
 -0.0000 -0.0001  0.0000  0.5221 -0.0001     -0.0001 -0.0320  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0001 -0.0001  0.5316     -0.0183  0.0002 -0.0001  0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0091  0.0000 -0.0001  0.0000     -0.0001  0.0000  0.0000 -0.0091 -0.0000
 -0.0090  0.0003  0.0000  0.0000  0.0001      0.0000 -0.0003 -0.0153 -0.0000 -0.0343
 -0.0000  0.0000 -0.0000 -0.0155  0.0000     -0.0000  0.0155 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0154  0.0003 -0.0339      0.0090 -0.0000  0.0000 -0.0004  0.0001
  0.0000 -0.0001 -0.0000  0.0341  0.0003      0.0000  0.0342  0.0000 -0.0001 -0.0003
 
spin component  3
 
  0.0001 -0.0090 -0.0000  0.0000  0.0000      0.0001 -0.0000  0.0000 -0.0090 -0.0000
  0.0091  0.0003  0.0000 -0.0000 -0.0001     -0.0000  0.0003 -0.0155  0.0000 -0.0342
  0.0000  0.0000 -0.0000  0.0154 -0.0000     -0.0000  0.0153  0.0000 -0.0000 -0.0000
 -0.0001  0.0000 -0.0155  0.0003  0.0341      0.0091  0.0000  0.0000  0.0004  0.0001
  0.0000  0.0001  0.0000 -0.0339  0.0003      0.0000  0.0343 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.5985  0.0000 -0.0001 -0.0000  0.0001      0.0000  0.0001  0.0001  0.0000 -0.0179
  0.0000  0.5171  0.0000 -0.0001  0.0000     -0.0001  0.0000 -0.0000 -0.0294 -0.0002
 -0.0001  0.0000  0.6006 -0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5169  0.0000     -0.0000  0.0294  0.0000  0.0000 -0.0002
  0.0001  0.0000  0.0000  0.0000  0.5269      0.0179  0.0002  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4566  v = -0.0056  0.0917  0.0004 -0.0773  0.0238 -0.0003 -0.5828  0.0003  0.0259  0.0762      0.0000 -0.0809 -0.0001 -0.0895 -0.5277  0.0001 -0.0271  0.0001 -0.5808  0.0888
  o =  0.4570  v =  0.0014  0.5256  0.0003 -0.2186 -0.0411 -0.0031  0.1133 -0.0001 -0.0442  0.2129      0.0000 -0.2181 -0.0003 -0.5270  0.1034  0.0010  0.0429 -0.0002  0.1167  0.5125
  o =  0.5389  v = -0.0092  0.0011  0.1140  0.0103 -0.0019  0.0034  0.6164  0.0003 -0.2314  0.0231      0.0000  0.0077  0.3087  0.0075  0.0197 -0.0088 -0.2313  0.0026 -0.6350  0.0085
  o =  0.5454  v =  0.0228 -0.5055  0.0018 -0.4330  0.0024  0.0029  0.0229 -0.2373 -0.0044 -0.0237      0.0000  0.4106  0.0026 -0.4985 -0.0462  0.0099 -0.0039 -0.2819  0.0141  0.0068
  o =  0.5501  v = -0.0751  0.1769 -0.0118  0.2805  0.0002 -0.2200 -0.0717 -0.0148  0.0189  0.6202      0.0000  0.3223 -0.0046 -0.2086  0.1391 -0.3431  0.0189 -0.0114 -0.0552 -0.3968
  o =  0.5521  v =  0.4230  0.0597  0.0030  0.0770 -0.0002 -0.0432  0.3506  0.0141 -0.0024  0.1166      0.0000  0.0344  0.0068 -0.0096 -0.7467 -0.0667 -0.0029  0.0167  0.3224 -0.0735
  o =  0.6086  v =  0.0182 -0.1453  0.4861  0.0106  0.0025 -0.7658  0.0318 -0.0202  0.1179  0.0060      0.0000 -0.0039 -0.1526  0.1371  0.0102  0.0168  0.1191  0.0111 -0.0412  0.2860
  o =  0.6087  v = -0.1363 -0.0826 -0.1902  0.0524  0.0002 -0.2451 -0.1612  0.0876 -0.0468  0.1541      0.0000  0.1003  0.7518  0.0097 -0.0546  0.4076 -0.0467  0.1265  0.2117  0.0927
  o =  0.6093  v =  0.6188  0.1499 -0.0648  0.1013  0.0007 -0.0493 -0.1543 -0.3004 -0.0159  0.0362      0.0000 -0.0654  0.1620  0.1699  0.2440  0.1067 -0.0152 -0.5709 -0.0722  0.0203
  o =  0.6094  v =  0.6426 -0.1587  0.0066 -0.0894 -0.0004  0.0199 -0.1230  0.3058  0.0030 -0.0052      0.0000  0.0846  0.0071 -0.1653  0.2580 -0.0134  0.0020  0.5740 -0.1180 -0.0064
     EDDAV:  cpu time   73.2176: real time   73.9591
       DOS:  cpu time    0.0458: real time    0.0460
    CHARGE:  cpu time    1.1674: real time    1.1791
    MIXING:  cpu time    0.0293: real time    0.0295
    --------------------------------------------
      LOOP:  cpu time   75.3719: real time   76.1319

 eigenvalue-minimisations  : 13048
 total energy-change (2. order) : 0.1321412E+01  (-0.7827166E+00)
 number of electron    1039.9999693 magnetization       0.0122222     -0.0028055     -0.0102436
 augmentation part       28.6191450 magnetization      -0.0319721     -0.0060667      0.0159222

 Broyden mixing:
  rms(total) = 0.40827E+01    rms(broyden)= 0.40827E+01
  rms(prec ) = 0.43383E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6303
  1.9879  0.5030  0.5030  0.4403  0.1738  0.1738

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17391.73446859
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2474.80085462
  PAW double counting   =     83740.41572791   -82557.48311746
  entropy T*S    EENTRO =        -0.08230551
  eigenvalues    EBANDS =     -6127.51722347
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1069.07400079 eV

  energy without entropy =    -1068.99169528  energy(sigma->0) =    -1069.04656562


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.4735: real time    0.4782
    SETDIJ:  cpu time    0.4448: real time    0.4473
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6013  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0001  0.0001 -0.0000  0.0189
  0.0000  0.5288 -0.0001 -0.0001 -0.0000     -0.0001  0.0000 -0.0000  0.0474 -0.0007
 -0.0000 -0.0001  0.6035  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5276 -0.0001      0.0000 -0.0474  0.0000  0.0000  0.0005
 -0.0000 -0.0000 -0.0000 -0.0001  0.5347     -0.0189  0.0007  0.0000 -0.0005  0.0000
 
spin component  2
 
  0.0001  0.0096 -0.0001 -0.0000 -0.0000      0.0001 -0.0000 -0.0000 -0.0096 -0.0000
 -0.0097  0.0014 -0.0000 -0.0001 -0.0001     -0.0000  0.0010 -0.0167  0.0001 -0.0469
  0.0000  0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0165  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0166  0.0014 -0.0480      0.0097  0.0000  0.0000  0.0010 -0.0000
  0.0000  0.0001 -0.0000  0.0483  0.0013     -0.0000  0.0474  0.0000  0.0001  0.0011
 
spin component  3
 
  0.0001 -0.0097  0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0096  0.0014  0.0000  0.0000  0.0001      0.0000 -0.0010 -0.0165 -0.0000 -0.0474
 -0.0001 -0.0000  0.0001  0.0166 -0.0000      0.0000  0.0167 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164  0.0014  0.0483      0.0096 -0.0001  0.0000 -0.0010 -0.0001
 -0.0000 -0.0001  0.0000 -0.0480  0.0013      0.0000  0.0469 -0.0000  0.0000 -0.0011
 
spin component  4
 
  0.6016  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0191
  0.0000  0.5352 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0496 -0.0007
 -0.0001 -0.0000  0.6040 -0.0001 -0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0001  0.5339  0.0001      0.0000  0.0496 -0.0000 -0.0000  0.0004
 -0.0000 -0.0000 -0.0001  0.0001  0.5421      0.0191  0.0007 -0.0000 -0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4372  v =  0.0005  0.1537 -0.0006 -0.5775 -0.0016 -0.0018 -0.0213 -0.0003  0.0060  0.5221      0.0000 -0.5690  0.0003 -0.1568 -0.0267  0.0062  0.0036  0.0001 -0.0255  0.1416
  o =  0.4383  v = -0.0029 -0.0027 -0.0001  0.0224 -0.0034  0.0005 -0.5757 -0.0005 -0.0039 -0.0201      0.0000  0.0284  0.0004  0.0120 -0.5697 -0.0007  0.0026  0.0006 -0.5849 -0.0029
  o =  0.5622  v = -0.1568  0.5102 -0.0008 -0.3347  0.0003 -0.0316 -0.1179 -0.2573  0.0033 -0.0194      0.0000  0.3199 -0.0130  0.4635  0.2198  0.0128  0.0030  0.3828 -0.0860 -0.0416
  o =  0.5659  v =  0.4782  0.0750  0.0856 -0.0272  0.0014  0.1399  0.3547 -0.0843 -0.0952  0.1523      0.0000  0.1685  0.0525  0.2394 -0.5954 -0.1181 -0.0953  0.1352  0.2347  0.1830
  o =  0.5679  v =  0.1873  0.1413 -0.4189 -0.0983 -0.0033 -0.2235 -0.0927 -0.0274  0.4450 -0.1536      0.0000 -0.0340 -0.1858 -0.0962 -0.2222  0.1240  0.4490  0.0216  0.3040 -0.2734
  o =  0.5699  v =  0.1252  0.1757  0.2973 -0.1993 -0.0001 -0.3281  0.1076 -0.0122 -0.2992 -0.4153      0.0000 -0.1780  0.0421 -0.1647 -0.1366  0.3634 -0.3034  0.0056  0.0221 -0.3742
  o =  0.6163  v =  0.6832  0.1987  0.0305 -0.1041 -0.0009  0.1388 -0.1852  0.2102  0.0126 -0.0553      0.0000  0.0523  0.0202  0.1283  0.3604 -0.1085  0.0113 -0.4309 -0.1701 -0.0709
  o =  0.6173  v = -0.4162  0.2428 -0.0751 -0.0826 -0.0001 -0.1002  0.1086  0.2924 -0.0328  0.0775      0.0000  0.1559  0.0123  0.2918 -0.2302  0.1431 -0.0342 -0.6619  0.1247  0.0558
  o =  0.6182  v =  0.2325 -0.1529 -0.3616  0.1647  0.0032 -0.4868 -0.0394 -0.0693 -0.1616  0.2931      0.0000  0.1052 -0.0655  0.1159  0.1414  0.4876 -0.1616  0.0427 -0.0976  0.2920
  o =  0.6196  v = -0.0451  0.0787 -0.7126 -0.0613  0.0036  0.2720  0.1113 -0.0175 -0.3423 -0.1414      0.0000 -0.0732 -0.1988 -0.0832 -0.0297 -0.2235 -0.3436  0.0080 -0.0814 -0.1702
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6008  0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0002  0.0000  0.0193
  0.0000  0.5295 -0.0000 -0.0001  0.0001     -0.0000  0.0000  0.0001  0.0446  0.0006
 -0.0000 -0.0000  0.6029 -0.0000  0.0000     -0.0002 -0.0001 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5295  0.0001     -0.0000 -0.0446  0.0000 -0.0000 -0.0001
  0.0000  0.0001  0.0000  0.0001  0.5375     -0.0193 -0.0006  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0096  0.0000
 -0.0097 -0.0016  0.0000 -0.0000  0.0000     -0.0000 -0.0002 -0.0167  0.0000 -0.0472
 -0.0000  0.0000 -0.0002 -0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0167 -0.0016 -0.0465      0.0097  0.0000  0.0000 -0.0002 -0.0000
  0.0000  0.0000  0.0000  0.0464 -0.0015      0.0000  0.0471 -0.0000  0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0000
  0.0097 -0.0016  0.0000 -0.0000  0.0000      0.0000  0.0002 -0.0166 -0.0000 -0.0471
  0.0000  0.0000 -0.0002  0.0167  0.0000      0.0000  0.0167 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0166 -0.0016  0.0464      0.0096 -0.0000  0.0000  0.0002 -0.0000
 -0.0000  0.0000  0.0000 -0.0465 -0.0015     -0.0000  0.0472 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6011 -0.0000 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0002  0.0000 -0.0195
 -0.0000  0.5358  0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0466  0.0006
 -0.0001  0.0000  0.6034  0.0000  0.0001     -0.0002 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0000  0.5356 -0.0000     -0.0000  0.0466 -0.0000  0.0000 -0.0001
  0.0000 -0.0000  0.0001 -0.0000  0.5435      0.0195 -0.0006 -0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4419  v = -0.0003  0.4521  0.0004 -0.3740  0.0709 -0.0040  0.0438 -0.0000  0.0654  0.3459      0.0000 -0.3777  0.0006 -0.4494  0.0434  0.0031 -0.0734  0.0002  0.0360  0.4145
  o =  0.4428  v =  0.0012 -0.0745  0.0000 -0.0291 -0.0042  0.0011  0.5743 -0.0002 -0.0039  0.0266      0.0000 -0.0281  0.0000  0.0846  0.5669 -0.0001  0.0045  0.0007  0.5736 -0.0687
  o =  0.5609  v =  0.0780  0.5993  0.0020 -0.1103 -0.0003 -0.0001  0.0437 -0.0850 -0.0009 -0.0030      0.0000  0.1063 -0.0028  0.6048 -0.1121  0.0023 -0.0022  0.4698  0.0550  0.0038
  o =  0.5665  v =  0.0496 -0.0708  0.2821 -0.0620 -0.0010  0.1084 -0.4471  0.0053 -0.3049 -0.1494      0.0000 -0.0674 -0.4369  0.0455 -0.0559  0.1194 -0.3068 -0.0140  0.5040  0.1375
  o =  0.5670  v = -0.5217 -0.0397  0.0412 -0.0161 -0.0002  0.2155 -0.2808 -0.0141 -0.0441 -0.0024      0.0000  0.0154  0.0246  0.2038  0.6109  0.0032 -0.0441  0.0727 -0.3259  0.2605
  o =  0.5696  v = -0.2272  0.3018 -0.0353 -0.0175  0.0008 -0.5305 -0.2806 -0.0050  0.0350 -0.0291      0.0000 -0.0090 -0.1628 -0.2353  0.2454  0.0268  0.0360  0.0359  0.0433 -0.5883
  o =  0.6163  v =  0.2856 -0.3241  0.0122  0.0638 -0.0005 -0.0356 -0.0780 -0.1515  0.0052  0.0109      0.0000 -0.0526  0.0020 -0.3032  0.1557  0.0195  0.0055  0.8085 -0.0719  0.0229
  o =  0.6175  v =  0.7154  0.0624  0.0626 -0.0083  0.0001 -0.2073 -0.1169  0.0516  0.0284  0.0304      0.0000  0.0362 -0.1892  0.1737  0.4117  0.0527  0.0288 -0.2814 -0.2944  0.1141
  o =  0.6181  v =  0.0978 -0.0177 -0.6479 -0.1415  0.0070 -0.0882 -0.1034  0.0361 -0.2966 -0.2856      0.0000 -0.1202  0.1652  0.0308  0.0566 -0.4747 -0.2907 -0.0134  0.0474  0.0519
  o =  0.6192  v =  0.2545  0.2140  0.0567  0.0032 -0.0018  0.6037 -0.2992  0.0029  0.0291  0.0114      0.0000  0.0073  0.4575 -0.1471  0.1602  0.0189  0.0269 -0.0710  0.1429 -0.3848
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6016 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0189
 -0.0000  0.5311 -0.0000 -0.0001 -0.0000      0.0000  0.0000 -0.0000  0.0418 -0.0003
 -0.0001 -0.0000  0.6038 -0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5314 -0.0000      0.0000 -0.0418 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0000 -0.0000  0.5397     -0.0189  0.0003  0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0095  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0095 -0.0000
 -0.0095  0.0005  0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0164 -0.0000 -0.0445
 -0.0000  0.0000 -0.0000 -0.0164  0.0000      0.0000  0.0165 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0163  0.0004 -0.0447      0.0095 -0.0000  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0000  0.0444  0.0005     -0.0000  0.0442  0.0000 -0.0000 -0.0000
 
spin component  3
 
  0.0000 -0.0095 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0095  0.0000
  0.0095  0.0005  0.0000 -0.0000  0.0000     -0.0000  0.0000 -0.0165  0.0000 -0.0442
  0.0000  0.0000 -0.0000  0.0163 -0.0000     -0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0164  0.0004  0.0444      0.0095  0.0000 -0.0000  0.0000  0.0000
 -0.0000  0.0000  0.0000 -0.0447  0.0005      0.0000  0.0445  0.0000  0.0000  0.0000
 
spin component  4
 
  0.6013 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0001 -0.0000 -0.0188
 -0.0000  0.5270 -0.0000 -0.0001 -0.0001      0.0000 -0.0000 -0.0001 -0.0408 -0.0003
 -0.0001 -0.0000  0.6035 -0.0000  0.0000     -0.0001  0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5274 -0.0000      0.0000  0.0408 -0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0000 -0.0000  0.5358      0.0188  0.0003  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4445  v =  0.0048 -0.0054 -0.0001 -0.0023 -0.0040  0.0001  0.5900  0.0001 -0.0036  0.0024      0.0000 -0.0018  0.0003  0.0029  0.5519  0.0001  0.0046 -0.0001  0.5893 -0.0049
  o =  0.4458  v = -0.0001 -0.5801 -0.0003 -0.0268 -0.0019  0.0019 -0.0037 -0.0001 -0.0017  0.0259      0.0000 -0.0255  0.0002  0.5796 -0.0035  0.0000  0.0021 -0.0002 -0.0063 -0.5705
  o =  0.5567  v =  0.0113 -0.0124 -0.0314  0.0067 -0.0013  0.0171  0.6413  0.0040  0.0450  0.0047      0.0000 -0.0024  0.4380  0.0129 -0.0193 -0.0042  0.0447  0.0014 -0.6243  0.0287
  o =  0.5605  v = -0.0221  0.6332  0.0031 -0.0200 -0.0004 -0.0191 -0.0139 -0.0177 -0.0044  0.0064      0.0000  0.0246  0.0020  0.6078  0.0352 -0.0030 -0.0042  0.4743 -0.0162 -0.0264
  o =  0.5647  v =  0.1085 -0.3042  0.0040  0.0252  0.0001  0.5209  0.0421  0.0052 -0.0048  0.0425      0.0000  0.0167 -0.0214  0.3605 -0.1447 -0.0324 -0.0052  0.0225  0.0934  0.6768
  o =  0.5663  v = -0.5379 -0.0911 -0.0022  0.0059 -0.0003  0.1145 -0.3065  0.0024  0.0005  0.0085      0.0000  0.0024  0.0080  0.0468  0.6820 -0.0071  0.0003 -0.0216 -0.3273  0.1421
  o =  0.6151  v =  0.0386  0.0079  0.8884 -0.0158 -0.0020  0.0240 -0.0433 -0.0060  0.3084 -0.0358      0.0000 -0.0188  0.0954 -0.0039  0.0223 -0.0742  0.3065 -0.0063  0.0218 -0.0122
  o =  0.6159  v = -0.1668 -0.2979  0.0079  0.0136 -0.0018 -0.7465  0.0115 -0.1503  0.0032 -0.0902      0.0000 -0.1027  0.0759  0.0854 -0.0855 -0.1751  0.0009  0.2811  0.0703  0.3867
  o =  0.6161  v = -0.0573 -0.2258 -0.0025  0.0321  0.0001  0.3180  0.0214 -0.1093 -0.0014 -0.0185      0.0000 -0.0499 -0.0225 -0.3893 -0.0295 -0.0383 -0.0017  0.8041  0.0053 -0.1653
  o =  0.6169  v =  0.8159 -0.0795 -0.0420  0.0057 -0.0004 -0.1260 -0.2145 -0.0378 -0.0138 -0.0180      0.0000 -0.0235  0.0115 -0.0105  0.4462 -0.0353 -0.0143  0.1098 -0.2098  0.0706
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6015 -0.0000 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0185
 -0.0000  0.5316  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000  0.0454 -0.0001
 -0.0000  0.0000  0.6043 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5314 -0.0001     -0.0000 -0.0454  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000 -0.0001  0.5394     -0.0185  0.0001  0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0000  0.0093 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0001 -0.0093 -0.0000
 -0.0092  0.0002 -0.0000 -0.0001  0.0000      0.0000 -0.0005 -0.0161  0.0000 -0.0424
  0.0000  0.0000 -0.0001 -0.0162 -0.0000     -0.0000  0.0162 -0.0001 -0.0001 -0.0000
 -0.0000 -0.0001  0.0162  0.0003 -0.0424      0.0092  0.0000 -0.0000 -0.0004 -0.0000
 -0.0000 -0.0000  0.0000  0.0431  0.0002      0.0000  0.0428  0.0000 -0.0000 -0.0003
 
spin component  3
 
 -0.0000 -0.0092  0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0092 -0.0000
  0.0093  0.0002  0.0000 -0.0001 -0.0000     -0.0000  0.0005 -0.0162 -0.0000 -0.0428
 -0.0000 -0.0000 -0.0001  0.0162  0.0000      0.0001  0.0161  0.0001  0.0000 -0.0000
  0.0000 -0.0001 -0.0162  0.0003  0.0431      0.0093 -0.0000  0.0001  0.0004  0.0000
  0.0000  0.0000 -0.0000 -0.0424  0.0002      0.0000  0.0424  0.0000  0.0000  0.0003
 
spin component  4
 
  0.6010 -0.0000  0.0000  0.0000  0.0001      0.0000 -0.0000 -0.0000  0.0000 -0.0182
 -0.0000  0.5264 -0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0431 -0.0001
  0.0000 -0.0000  0.6036 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5259  0.0001     -0.0000  0.0431  0.0000 -0.0000 -0.0003
  0.0001  0.0000 -0.0000  0.0001  0.5335      0.0182  0.0001 -0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4446  v = -0.0024 -0.2133 -0.0002 -0.5125 -0.0135  0.0012 -0.1880 -0.0001 -0.0141  0.4937      0.0000 -0.5110  0.0000  0.2143 -0.1661  0.0034  0.0160  0.0003 -0.1870 -0.2062
  o =  0.4450  v =  0.0067 -0.0543 -0.0001 -0.1765 -0.0090  0.0003  0.5651 -0.0001 -0.0091  0.1697      0.0000 -0.1734 -0.0004  0.0528  0.5084  0.0009  0.0105  0.0002  0.5686 -0.0525
  o =  0.5579  v =  0.0129  0.0042 -0.1421 -0.0299  0.0003 -0.0113 -0.5905 -0.0021  0.2031 -0.0621      0.0000 -0.0264 -0.4167 -0.0113 -0.0206  0.0388  0.2036 -0.0031  0.6055 -0.0167
  o =  0.5620  v = -0.0661  0.2118 -0.0370  0.2937  0.0005 -0.2438 -0.0702  0.0000  0.0480  0.6134      0.0000  0.2963 -0.0200 -0.1223  0.0983 -0.4275  0.0487  0.0347 -0.0187 -0.3474
  o =  0.5635  v =  0.2948 -0.2024 -0.0011 -0.4142 -0.0002 -0.0499  0.1969 -0.3526  0.0002  0.0475      0.0000  0.4606  0.0072 -0.2671 -0.4209 -0.0344  0.0002 -0.1890  0.1741 -0.0692
  o =  0.5642  v = -0.4162 -0.1786  0.0002 -0.3436 -0.0006  0.0056 -0.2667 -0.2561 -0.0009 -0.0699      0.0000  0.2798 -0.0050 -0.1721  0.5834  0.0510 -0.0011 -0.1432 -0.2526  0.0071
  o =  0.6139  v = -0.0804 -0.1243  0.0760 -0.1632  0.0004 -0.5083  0.0150  0.0044  0.0239 -0.3293      0.0000 -0.1591  0.0108  0.1107 -0.0372 -0.6928  0.0247  0.0194  0.0198  0.2401
  o =  0.6151  v =  0.8477  0.0062  0.0850  0.0063 -0.0001 -0.0435 -0.1972 -0.0565  0.0296 -0.0305      0.0000 -0.0350  0.0029  0.0270  0.4265 -0.0575  0.0297 -0.0446 -0.1947  0.0216
  o =  0.6155  v =  0.0745 -0.0255 -0.8887 -0.0036  0.0004 -0.0539 -0.0207 -0.0239 -0.3098 -0.0281      0.0000 -0.0242  0.0112  0.0033  0.0376 -0.0558 -0.3104  0.0267 -0.0135  0.0282
  o =  0.6168  v = -0.0689  0.2070 -0.0017  0.2799  0.0008 -0.0164  0.0059 -0.6893 -0.0010  0.0028      0.0000 -0.2787  0.0363  0.2157 -0.0375  0.0017 -0.0003 -0.5203  0.0303  0.0091
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6035  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0001 -0.0000  0.0194
  0.0000  0.5362  0.0000 -0.0001  0.0001     -0.0000  0.0000  0.0000  0.0557 -0.0001
 -0.0001  0.0000  0.6050  0.0000 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5364 -0.0001      0.0000 -0.0557  0.0000  0.0000 -0.0000
  0.0000  0.0001 -0.0001 -0.0001  0.5359     -0.0194  0.0001  0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000  0.0001  0.0000     -0.0000 -0.0000  0.0001 -0.0099  0.0000
 -0.0098 -0.0005 -0.0000  0.0001 -0.0004      0.0000 -0.0001 -0.0166  0.0000 -0.0548
 -0.0000  0.0000 -0.0001 -0.0166  0.0000     -0.0000  0.0166 -0.0001  0.0000 -0.0000
 -0.0000 -0.0001  0.0166 -0.0007 -0.0547      0.0098 -0.0002 -0.0000 -0.0001 -0.0004
 -0.0000  0.0004 -0.0000  0.0555 -0.0004     -0.0000  0.0555 -0.0001  0.0005 -0.0001
 
spin component  3
 
 -0.0001 -0.0098 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0098  0.0000
  0.0099 -0.0005  0.0000 -0.0001  0.0004      0.0000  0.0001 -0.0166  0.0002 -0.0555
 -0.0000 -0.0000 -0.0001  0.0166 -0.0000     -0.0001  0.0166  0.0001  0.0000  0.0001
  0.0001  0.0001 -0.0166 -0.0007  0.0555      0.0099 -0.0000 -0.0000  0.0001 -0.0005
  0.0000 -0.0004  0.0000 -0.0547 -0.0004     -0.0000  0.0548  0.0000  0.0004  0.0001
 
spin component  4
 
  0.6031  0.0001 -0.0000  0.0000 -0.0001     -0.0000 -0.0000  0.0001  0.0000 -0.0191
  0.0001  0.5337 -0.0000 -0.0002  0.0001      0.0000  0.0000  0.0000 -0.0551  0.0001
 -0.0000 -0.0000  0.6045  0.0000 -0.0000     -0.0001 -0.0000  0.0000  0.0001  0.0001
  0.0000 -0.0002  0.0000  0.5337  0.0002     -0.0000  0.0551 -0.0001 -0.0000  0.0001
 -0.0001  0.0001 -0.0000  0.0002  0.5325      0.0191 -0.0001 -0.0001 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4238  v =  0.0008 -0.5202  0.0004 -0.2395 -0.0187  0.0010  0.0450  0.0002 -0.0209  0.2427      0.0000 -0.2359 -0.0004  0.5181  0.0447  0.0001  0.0197 -0.0003  0.0504 -0.5304
  o =  0.4247  v = -0.0016 -0.0522  0.0003 -0.0001 -0.0133  0.0004 -0.5787  0.0001 -0.0156  0.0003      0.0000 -0.0004 -0.0001  0.0477 -0.5689  0.0002  0.0114 -0.0002 -0.5772 -0.0521
  o =  0.5713  v =  0.1320  0.1808  0.1774 -0.2736 -0.0035 -0.2379  0.1664 -0.0008 -0.1774 -0.5299      0.0000 -0.2656  0.0907 -0.0820 -0.1484  0.4875 -0.1804  0.0479 -0.0195 -0.2581
  o =  0.5717  v =  0.5075  0.0114  0.1734  0.0658  0.0010 -0.0152  0.0864 -0.0344 -0.1733  0.1913      0.0000  0.1313 -0.1885 -0.0112 -0.5538 -0.1786 -0.1736 -0.0008  0.4588 -0.0171
  o =  0.5723  v = -0.2928  0.0427  0.3852  0.0298  0.0005 -0.1521 -0.4373 -0.0174 -0.3795  0.0861      0.0000  0.0624 -0.2867 -0.1214  0.3163 -0.0823 -0.3806 -0.0428  0.1309 -0.1597
  o =  0.5741  v = -0.0406  0.4332  0.0286 -0.2981  0.0007  0.0481 -0.0095 -0.3428 -0.0281  0.0352      0.0000  0.3304  0.0130  0.4839  0.0397 -0.0364 -0.0291  0.4981 -0.0335  0.0506
  o =  0.6208  v =  0.0467 -0.0931  0.1610  0.2153 -0.0035 -0.1043 -0.0538  0.0363  0.0799  0.4620      0.0000  0.2580  0.0818 -0.0287  0.0274  0.7632  0.0772  0.1185  0.0269  0.0629
  o =  0.6214  v =  0.7469 -0.0038  0.2608 -0.0174 -0.0000 -0.0308 -0.1883 -0.0244  0.1293 -0.0562      0.0000 -0.0408 -0.0797  0.0129  0.4604 -0.0898  0.1294 -0.0058 -0.2678  0.0149
  o =  0.6219  v =  0.2750 -0.0210 -0.7113  0.0446  0.0010  0.1051 -0.1866 -0.0183 -0.3605  0.0636      0.0000  0.0244  0.2032 -0.0896  0.1729  0.1049 -0.3596  0.1035  0.0187 -0.0675
  o =  0.6226  v =  0.0443  0.3106 -0.0942 -0.2219  0.0005 -0.1010 -0.0166  0.4536 -0.0459  0.0501      0.0000  0.2711  0.0025  0.3746  0.0285  0.0743 -0.0466 -0.6292 -0.0142  0.0641
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0001  0.0000  0.0192
 -0.0001  0.5345  0.0000 -0.0002 -0.0000      0.0000  0.0000  0.0001  0.0551  0.0001
 -0.0001  0.0000  0.6047 -0.0000 -0.0000      0.0001 -0.0001  0.0000  0.0001 -0.0001
  0.0000 -0.0002 -0.0000  0.5343 -0.0003     -0.0000 -0.0551 -0.0001  0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0003  0.5335     -0.0192 -0.0001  0.0001 -0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0098 -0.0000  0.0001 -0.0000      0.0001 -0.0000 -0.0001 -0.0098 -0.0001
 -0.0099 -0.0006 -0.0000 -0.0000 -0.0004      0.0000  0.0003 -0.0166 -0.0002 -0.0551
  0.0001  0.0000 -0.0002 -0.0166  0.0001     -0.0000  0.0166  0.0000  0.0000 -0.0000
 -0.0001  0.0002  0.0166 -0.0010 -0.0551      0.0098 -0.0001  0.0000  0.0003 -0.0004
  0.0000  0.0004  0.0000  0.0548 -0.0004     -0.0000  0.0550  0.0001  0.0005  0.0003
 
spin component  3
 
 -0.0001 -0.0099  0.0001 -0.0001  0.0000     -0.0001 -0.0000  0.0000 -0.0098  0.0000
  0.0098 -0.0006  0.0000  0.0002  0.0004      0.0000 -0.0003 -0.0166  0.0001 -0.0550
 -0.0000 -0.0000 -0.0002  0.0166  0.0000      0.0001  0.0166 -0.0000 -0.0000 -0.0001
  0.0001 -0.0000 -0.0166 -0.0010  0.0548      0.0098  0.0002 -0.0000 -0.0003 -0.0005
 -0.0000 -0.0004  0.0001 -0.0551 -0.0004      0.0001  0.0551  0.0000  0.0004 -0.0003
 
spin component  4
 
  0.6037  0.0000 -0.0002  0.0000 -0.0000     -0.0000  0.0000 -0.0001  0.0000 -0.0193
  0.0000  0.5351  0.0000 -0.0001 -0.0003     -0.0000  0.0000  0.0001 -0.0555 -0.0001
 -0.0002  0.0000  0.6050 -0.0000 -0.0001      0.0001 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5351  0.0001     -0.0000  0.0555 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0003 -0.0001  0.0001  0.5345      0.0193  0.0001 -0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4239  v =  0.0011 -0.2252 -0.0001 -0.0529  0.0409  0.0009  0.5248  0.0000  0.0420  0.0530      0.0000 -0.0538  0.0001  0.2308  0.5286  0.0001 -0.0403 -0.0000  0.5266 -0.2244
  o =  0.4245  v = -0.0006 -0.5267 -0.0002 -0.0593 -0.0477  0.0007 -0.2301 -0.0002 -0.0481  0.0560      0.0000 -0.0535 -0.0003  0.5235 -0.2300  0.0000  0.0441 -0.0006 -0.2246 -0.5256
  o =  0.5713  v = -0.4668 -0.2018 -0.0445 -0.0493  0.0010  0.3372 -0.2972  0.0181  0.0443 -0.1294      0.0000 -0.0816 -0.0338  0.1735  0.5193  0.1152  0.0447 -0.0117 -0.2274  0.3758
  o =  0.5716  v = -0.3182  0.0081 -0.0610 -0.0680 -0.0030 -0.4092 -0.1399 -0.1300  0.0612  0.1269      0.0000  0.1949  0.0315 -0.4403  0.3521 -0.1160  0.0581 -0.2180 -0.2078 -0.4497
  o =  0.5727  v = -0.1539  0.5527 -0.0927  0.2709  0.0006 -0.1839 -0.0325  0.2360  0.0885  0.0871      0.0000 -0.1888  0.0540  0.3583  0.1605 -0.0799  0.0906  0.4669 -0.1345 -0.1988
  o =  0.5733  v = -0.0987  0.0782  0.5795  0.0388  0.0017 -0.0288 -0.0784 -0.0008 -0.5511  0.0803      0.0000  0.0462 -0.0289  0.0457  0.1043 -0.0795 -0.5492  0.0647 -0.0235 -0.0307
  o =  0.6211  v = -0.6700 -0.0059 -0.2019  0.0441  0.0001 -0.2632  0.2120 -0.1922 -0.1040 -0.1041      0.0000 -0.1470 -0.0143  0.1565 -0.4027 -0.1683 -0.1037 -0.1551  0.1934  0.1631
  o =  0.6213  v = -0.3761  0.0945 -0.0591  0.0363  0.0001  0.5535  0.1456  0.1575 -0.0305  0.2320      0.0000  0.1978 -0.0654 -0.2387 -0.2216  0.3870 -0.0301  0.1434  0.0812 -0.3322
  o =  0.6220  v = -0.1987 -0.2347  0.3209 -0.3308  0.0002 -0.2325 -0.0015  0.5623  0.1725 -0.0830      0.0000  0.2475  0.1263 -0.0933 -0.1255 -0.1315  0.1695  0.3181  0.1296  0.1432
  o =  0.6223  v =  0.1325 -0.1053 -0.6865 -0.1634 -0.0013 -0.1380 -0.0015  0.3434 -0.3595  0.0175      0.0000  0.1850 -0.0707 -0.0218  0.0803  0.0256 -0.3623  0.1249 -0.0764  0.0858
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5933  0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0001 -0.0002 -0.0000  0.0203
  0.0000  0.5409  0.0001 -0.0001  0.0002     -0.0001 -0.0000 -0.0001  0.0534  0.0005
 -0.0001  0.0001  0.5969  0.0001 -0.0000      0.0002  0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0001  0.5409  0.0000      0.0000 -0.0534 -0.0000  0.0000  0.0002
 -0.0000  0.0002 -0.0000  0.0000  0.5466     -0.0203 -0.0005 -0.0000 -0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0099 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0100 -0.0000
 -0.0099  0.0024 -0.0000 -0.0002 -0.0001     -0.0000 -0.0003 -0.0170 -0.0000 -0.0505
 -0.0000  0.0000  0.0002 -0.0170  0.0000      0.0000  0.0170 -0.0000 -0.0001  0.0000
  0.0000  0.0001  0.0171  0.0031 -0.0505      0.0099  0.0005  0.0000 -0.0003 -0.0001
 -0.0000  0.0001 -0.0000  0.0506  0.0024     -0.0001  0.0505 -0.0000  0.0002 -0.0002
 
spin component  3
 
  0.0001 -0.0099 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099  0.0001
  0.0099  0.0024  0.0000  0.0001  0.0001      0.0000  0.0003 -0.0170 -0.0005 -0.0505
 -0.0000 -0.0000  0.0002  0.0171 -0.0000      0.0000  0.0170  0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0170  0.0031  0.0506      0.0100  0.0000  0.0001  0.0003 -0.0002
 -0.0000 -0.0001  0.0000 -0.0505  0.0024      0.0000  0.0505 -0.0000  0.0001  0.0002
 
spin component  4
 
  0.5934  0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0000 -0.0202
  0.0000  0.5416  0.0001 -0.0001  0.0002      0.0000  0.0000 -0.0001 -0.0535 -0.0001
 -0.0001  0.0001  0.5969 -0.0001  0.0000      0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5417 -0.0003      0.0000  0.0535  0.0000 -0.0000 -0.0001
 -0.0000  0.0002  0.0000 -0.0003  0.5475      0.0202  0.0001  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4396  v =  0.0004 -0.4457 -0.0005 -0.1955 -0.1073  0.0020  0.3214  0.0002 -0.1049  0.1856      0.0000 -0.1974  0.0012  0.4338  0.3079  0.0009  0.1165 -0.0006  0.3045 -0.4178
  o =  0.4404  v = -0.0026 -0.3299 -0.0002 -0.0050 -0.0280  0.0027 -0.4766  0.0003 -0.0307  0.0059      0.0000 -0.0062  0.0009  0.3476 -0.4508  0.0001  0.0320  0.0016 -0.4900 -0.3114
  o =  0.5687  v = -0.5430  0.2411 -0.0105 -0.0184  0.0006 -0.4245 -0.2979 -0.0194  0.0054 -0.0128      0.0000  0.0095 -0.1032 -0.0998  0.4521  0.0156  0.0066  0.0822 -0.1318 -0.3571
  o =  0.5698  v =  0.4371  0.1028  0.0288 -0.0630  0.0013 -0.5364  0.0414 -0.0600 -0.0221 -0.0378      0.0000  0.0264 -0.1430 -0.2840 -0.3473  0.0460 -0.0191 -0.1136  0.2758 -0.4299
  o =  0.5716  v = -0.1556 -0.4995 -0.0461 -0.0969 -0.0008  0.0310 -0.0113 -0.1115  0.0349 -0.0337      0.0000  0.0686  0.0697 -0.4781  0.1069  0.0411  0.0369 -0.6585 -0.1090  0.0279
  o =  0.5721  v = -0.0463 -0.1006  0.5248 -0.0408  0.0060  0.1516 -0.3126  0.0161 -0.3851 -0.1002      0.0000 -0.0677 -0.4087  0.0109  0.0328  0.1462 -0.3786 -0.0563  0.2825  0.1038
  o =  0.6178  v =  0.5013  0.2712 -0.0112 -0.0086 -0.0012  0.4487 -0.3142  0.0155 -0.0051  0.0027      0.0000  0.0138  0.1842 -0.0796  0.4115  0.0056 -0.0063 -0.1554 -0.0796 -0.3665
  o =  0.6190  v =  0.3852  0.0239  0.0265  0.0983  0.0018 -0.4185  0.0151 -0.1180  0.0184  0.0409      0.0000 -0.0589 -0.2672  0.3605  0.3361  0.0485  0.0184 -0.2946 -0.3247  0.3696
  o =  0.6200  v =  0.2698 -0.4164  0.0420 -0.1135 -0.0001 -0.0344  0.0406  0.1391  0.0271 -0.0456      0.0000  0.0730 -0.2329 -0.3965  0.2364 -0.0520  0.0304  0.5990 -0.2790  0.0331
  o =  0.6206  v = -0.1237  0.2410  0.1379  0.0179  0.0016  0.3126  0.4587  0.0062  0.0945  0.0423      0.0000  0.0223 -0.5808 -0.0391 -0.1181  0.0478  0.0964 -0.1533 -0.3469 -0.2823
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5932 -0.0001 -0.0002 -0.0000 -0.0000     -0.0000 -0.0001 -0.0001  0.0001  0.0202
 -0.0001  0.5403  0.0000 -0.0001 -0.0002      0.0001  0.0000  0.0000  0.0536 -0.0004
 -0.0002  0.0000  0.5966 -0.0000 -0.0001      0.0001 -0.0000  0.0000 -0.0001  0.0000
 -0.0000 -0.0001 -0.0000  0.5403  0.0001     -0.0001 -0.0536  0.0001  0.0000 -0.0001
 -0.0000 -0.0002 -0.0001  0.0001  0.5452     -0.0202  0.0004 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0099  0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0099 -0.0001
 -0.0099 -0.0002 -0.0000  0.0002 -0.0001     -0.0000 -0.0002 -0.0170  0.0002 -0.0506
  0.0000  0.0000 -0.0001 -0.0170 -0.0000     -0.0000  0.0171  0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0171 -0.0004 -0.0506      0.0099 -0.0003  0.0000 -0.0002 -0.0001
 -0.0000  0.0002  0.0000  0.0503 -0.0001      0.0000  0.0504 -0.0000  0.0001 -0.0002
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099 -0.0000
  0.0099 -0.0002  0.0000 -0.0001  0.0002     -0.0000  0.0002 -0.0171  0.0003 -0.0504
  0.0000 -0.0000 -0.0001  0.0171  0.0000     -0.0000  0.0170 -0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0170 -0.0004  0.0503      0.0099 -0.0002 -0.0000  0.0002 -0.0001
  0.0000 -0.0001 -0.0000 -0.0506 -0.0001      0.0001  0.0506 -0.0000  0.0001  0.0002
 
spin component  4
 
  0.5935  0.0000 -0.0002  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0203
  0.0000  0.5427  0.0000 -0.0001 -0.0001     -0.0000  0.0000  0.0000 -0.0535  0.0002
 -0.0002  0.0000  0.5969 -0.0000 -0.0001     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5425  0.0002     -0.0000  0.0535 -0.0000  0.0000  0.0002
 -0.0000 -0.0001 -0.0001  0.0002  0.5484      0.0203 -0.0002  0.0000 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4399  v =  0.0003  0.0505  0.0001 -0.5754 -0.0139 -0.0003  0.1234  0.0002 -0.0197  0.5338      0.0000 -0.5752  0.0002 -0.0525  0.1185  0.0033  0.0161 -0.0003  0.1242  0.0475
  o =  0.4402  v = -0.0015 -0.0204  0.0001 -0.1241 -0.0557  0.0002 -0.5677  0.0005 -0.0599  0.1141      0.0000 -0.1269  0.0000  0.0182 -0.5477  0.0012  0.0571 -0.0003 -0.5677 -0.0159
  o =  0.5690  v =  0.7064 -0.0230  0.0410 -0.0539 -0.0002  0.0196  0.2776 -0.0329 -0.0281 -0.0608      0.0000 -0.0007  0.0014 -0.0122 -0.5748  0.0718 -0.0283 -0.0227  0.2751  0.0153
  o =  0.5696  v = -0.0759  0.0061  0.0434 -0.2623 -0.0029  0.1225 -0.0312 -0.0024 -0.0336 -0.5665      0.0000 -0.2588 -0.0049  0.0986  0.0606  0.6988 -0.0349  0.0704 -0.0238  0.1000
  o =  0.5713  v =  0.0477  0.3627  0.0270  0.3946 -0.0003 -0.0639  0.0138  0.5074 -0.0192  0.0281      0.0000 -0.3696 -0.0045  0.3168 -0.0359 -0.0328 -0.0161  0.4517  0.0218 -0.0521
  o =  0.5723  v =  0.0361  0.0174 -0.7001 -0.0087 -0.0023  0.0011  0.0058  0.0118  0.5010 -0.0364      0.0000 -0.0283 -0.0118  0.0180 -0.0321  0.0515  0.4995  0.0242  0.0235  0.0014
  o =  0.6181  v =  0.6909  0.0507  0.0290  0.0415 -0.0005  0.0864 -0.2823 -0.0272  0.0217  0.0552      0.0000  0.0087 -0.0005 -0.0184  0.5797  0.0672  0.0217 -0.0267 -0.2789 -0.0776
  o =  0.6189  v = -0.1037  0.1606  0.0317  0.1031 -0.0025  0.5341  0.0916  0.0914  0.0210  0.3531      0.0000  0.2267 -0.0765 -0.2698 -0.0873  0.4092  0.0190  0.0838 -0.0098 -0.4605
  o =  0.6196  v = -0.0514  0.3682 -0.0036  0.3669 -0.0000  0.0829  0.0418 -0.5089 -0.0044  0.0625      0.0000 -0.3095 -0.0277  0.3028 -0.0448  0.0726 -0.0023 -0.5051  0.0018 -0.0709
  o =  0.6205  v =  0.0298 -0.0250 -0.6251  0.0152  0.0011 -0.0538  0.2176  0.0185 -0.4379  0.0538      0.0000  0.0373 -0.3257  0.0211  0.0238  0.0592 -0.4369  0.0039 -0.2391  0.0467
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037  0.0000  0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0194
  0.0000  0.5359 -0.0000  0.0001  0.0001     -0.0000  0.0000 -0.0000  0.0556  0.0001
  0.0000 -0.0000  0.6052  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0001
 -0.0001  0.0001  0.0000  0.5361 -0.0003     -0.0000 -0.0556  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0000 -0.0003  0.5356     -0.0194 -0.0001 -0.0001  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0099  0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
 -0.0097 -0.0005 -0.0000  0.0001  0.0003     -0.0000  0.0001 -0.0165 -0.0002 -0.0548
  0.0000 -0.0000 -0.0000 -0.0166  0.0000      0.0000  0.0166 -0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0165 -0.0006 -0.0545      0.0097 -0.0000 -0.0000 -0.0001  0.0004
  0.0000 -0.0004 -0.0000  0.0554 -0.0004      0.0000  0.0554 -0.0000 -0.0004 -0.0000
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
  0.0099 -0.0005 -0.0000 -0.0001 -0.0004     -0.0000 -0.0001 -0.0166  0.0000 -0.0554
  0.0001 -0.0000 -0.0000  0.0165 -0.0000     -0.0000  0.0165  0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0166 -0.0006  0.0554      0.0099  0.0002 -0.0000  0.0001  0.0004
  0.0000  0.0003  0.0000 -0.0545 -0.0004     -0.0000  0.0548 -0.0000 -0.0004  0.0000
 
spin component  4
 
  0.6033  0.0000  0.0001  0.0000 -0.0000     -0.0000 -0.0001  0.0001 -0.0000 -0.0191
  0.0000  0.5333 -0.0000  0.0001  0.0001      0.0001 -0.0000  0.0000 -0.0550 -0.0001
  0.0001 -0.0000  0.6046  0.0000 -0.0001     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0000  0.5332  0.0001      0.0000  0.0550  0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0001  0.0001  0.5320      0.0191  0.0001  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4237  v = -0.0003  0.5663 -0.0001  0.0307 -0.0427 -0.0006 -0.0669 -0.0001 -0.0428 -0.0333      0.0000  0.0342  0.0005 -0.5666 -0.0670  0.0001  0.0433  0.0002 -0.0710  0.5792
  o =  0.4245  v =  0.0013  0.0582 -0.0001  0.0557 -0.0936  0.0002  0.5676  0.0001 -0.0966 -0.0586      0.0000  0.0567  0.0002 -0.0533  0.5575 -0.0003  0.0940  0.0003  0.5662  0.0597
  o =  0.5711  v =  0.1480  0.3406 -0.0800  0.0989 -0.0003 -0.5520  0.1566  0.0510  0.0852  0.0951      0.0000 -0.0025  0.0719 -0.2810 -0.1674 -0.0864  0.0849  0.0300  0.0110 -0.6082
  o =  0.5715  v = -0.4758  0.0435  0.2264  0.0776  0.0007 -0.1233 -0.0438  0.0273 -0.2303  0.0959      0.0000  0.0225  0.2117 -0.0884  0.5272 -0.0895 -0.2299 -0.0225 -0.4740 -0.1314
  o =  0.5720  v =  0.3250 -0.0192  0.3782  0.0337  0.0002  0.0798  0.4561 -0.0119 -0.3780  0.0880      0.0000  0.0591  0.2817  0.0703 -0.3558 -0.0833 -0.3785  0.0263 -0.1099  0.0857
  o =  0.5738  v = -0.0473  0.5214  0.0082 -0.2484 -0.0003 -0.0158 -0.0250 -0.2324 -0.0059 -0.0657      0.0000  0.1839 -0.0011  0.5079  0.0455  0.0633 -0.0089  0.5532 -0.0244 -0.0150
  o =  0.6207  v = -0.0602  0.2755  0.0396  0.1104 -0.0007  0.7612  0.0345 -0.0857  0.0176  0.1319      0.0000  0.0250 -0.0358 -0.1902 -0.0323  0.2210  0.0167 -0.0811 -0.0006 -0.4542
  o =  0.6212  v =  0.6753 -0.0170 -0.4089  0.0596 -0.0001  0.0455 -0.1439 -0.0825 -0.2007  0.0329      0.0000 -0.0249 -0.1196 -0.0486  0.4096  0.0538 -0.2011  0.0657 -0.2611 -0.0314
  o =  0.6217  v = -0.4121  0.0117 -0.6699 -0.0194 -0.0007 -0.0132  0.2215  0.0538 -0.3330  0.0162      0.0000  0.0377 -0.1914  0.0200 -0.2551  0.0254 -0.3341 -0.0315  0.0283  0.0076
  o =  0.6225  v =  0.1194  0.2859 -0.0044 -0.3526  0.0011  0.0501 -0.0307  0.5955 -0.0008 -0.0646      0.0000  0.2878 -0.0147  0.2536  0.0747 -0.1030 -0.0028 -0.5008 -0.0453 -0.0332
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6035 -0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0001 -0.0000  0.0191
 -0.0001  0.5339  0.0000  0.0001  0.0001      0.0000  0.0000  0.0001  0.0548 -0.0001
 -0.0000  0.0000  0.6051 -0.0000 -0.0000     -0.0001 -0.0001 -0.0000  0.0001  0.0000
  0.0000  0.0001 -0.0000  0.5339 -0.0001      0.0000 -0.0548 -0.0001  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0001  0.5330     -0.0191  0.0001 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0001  0.0000 -0.0097  0.0001
 -0.0098 -0.0006 -0.0000 -0.0000  0.0004     -0.0000  0.0003 -0.0165 -0.0001 -0.0551
  0.0000 -0.0000 -0.0001 -0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0165 -0.0009 -0.0550      0.0098 -0.0002 -0.0000  0.0002  0.0003
  0.0001 -0.0004  0.0000  0.0546 -0.0005     -0.0000  0.0548  0.0000 -0.0004  0.0002
 
spin component  3
 
 -0.0001 -0.0098  0.0000  0.0000  0.0001     -0.0000  0.0000 -0.0000 -0.0098  0.0000
  0.0097 -0.0006 -0.0000  0.0001 -0.0004     -0.0001 -0.0003 -0.0165  0.0002 -0.0548
  0.0000 -0.0000 -0.0001  0.0165  0.0000     -0.0000  0.0165 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0165 -0.0009  0.0546      0.0097  0.0001  0.0000 -0.0002  0.0004
 -0.0000  0.0004  0.0000 -0.0550 -0.0005     -0.0001  0.0551  0.0000 -0.0003 -0.0002
 
spin component  4
 
  0.6037  0.0000 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0001 -0.0193
  0.0000  0.5346 -0.0000  0.0000 -0.0003     -0.0000 -0.0000  0.0000 -0.0553  0.0001
 -0.0000 -0.0000  0.6052  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0001
 -0.0000  0.0000  0.0000  0.5346  0.0003     -0.0001  0.0553 -0.0000  0.0000  0.0000
 -0.0000 -0.0003 -0.0000  0.0003  0.5341      0.0193 -0.0001  0.0001 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4237  v = -0.0011  0.1761 -0.0002  0.0822 -0.0916  0.0000 -0.5331 -0.0002 -0.0886 -0.0841      0.0000  0.0866 -0.0001 -0.1813 -0.5368 -0.0003  0.0929 -0.0001 -0.5350  0.1771
  o =  0.4246  v =  0.0004  0.1317 -0.0002  0.5253 -0.1318 -0.0005  0.1482  0.0001 -0.1248 -0.5261      0.0000  0.5274  0.0000 -0.1330  0.1509 -0.0006  0.1307  0.0002  0.1479  0.1322
  o =  0.5709  v =  0.4546  0.2364 -0.0652  0.2143  0.0011 -0.2612  0.2840  0.0879  0.0674  0.2431      0.0000  0.0286  0.0248 -0.0628 -0.5125 -0.2150  0.0690  0.0822  0.2313 -0.2964
  o =  0.5715  v =  0.3504 -0.1050 -0.0035 -0.2648  0.0007  0.3210  0.1270 -0.0793  0.0044 -0.3696      0.0000 -0.1030 -0.0661  0.2473 -0.3851  0.3327  0.0040  0.0716  0.2590  0.3557
  o =  0.5723  v =  0.1194 -0.5772 -0.0165 -0.0516 -0.0009  0.0652  0.0306 -0.1042  0.0175  0.1079      0.0000  0.1556 -0.0381 -0.5073 -0.1282 -0.1003  0.0184 -0.5440  0.1044  0.0714
  o =  0.5731  v =  0.0692 -0.0211  0.5314  0.0108 -0.0017  0.0470  0.2574 -0.0272 -0.5149  0.0712      0.0000  0.0672  0.2283  0.0283 -0.0727 -0.0701 -0.5174  0.0034 -0.1871  0.0493
  o =  0.6207  v = -0.7196  0.0999  0.1067  0.1314 -0.0010  0.1759  0.2242 -0.1069  0.0503  0.1606      0.0000  0.0302 -0.0207 -0.0022 -0.4252  0.2745  0.0499 -0.1022  0.2055 -0.0996
  o =  0.6211  v = -0.3471 -0.1786 -0.0042 -0.2157  0.0037 -0.3646  0.0571  0.0746 -0.0026 -0.3597      0.0000 -0.1444  0.0990  0.0398 -0.2110 -0.6003 -0.0000  0.1415  0.1561  0.2200
  o =  0.6217  v = -0.0406  0.0422  0.2023 -0.3799 -0.0001  0.1816  0.1096  0.7417  0.1067 -0.0150      0.0000  0.3635 -0.1892 -0.0670 -0.0234 -0.0253  0.1028  0.0250 -0.0837 -0.1131
  o =  0.6221  v = -0.1080 -0.1063 -0.7369 -0.0453  0.0004 -0.0241  0.0935  0.1736 -0.3793  0.0793      0.0000  0.1282 -0.1147 -0.0917 -0.0691  0.1286 -0.3794  0.1957 -0.0243  0.0152
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5937 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0201
 -0.0000  0.5424  0.0000 -0.0001  0.0002     -0.0000 -0.0000 -0.0002  0.0517  0.0003
 -0.0001  0.0000  0.5964  0.0000 -0.0000      0.0000  0.0002  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5424  0.0004      0.0000 -0.0517 -0.0000  0.0000  0.0002
 -0.0000  0.0002 -0.0000  0.0004  0.5459     -0.0201 -0.0003  0.0000 -0.0002 -0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0018  0.0000 -0.0001  0.0001      0.0000 -0.0003 -0.0170  0.0004 -0.0490
 -0.0000  0.0000  0.0001 -0.0170 -0.0000     -0.0000  0.0170 -0.0000  0.0000  0.0000
  0.0000  0.0001  0.0171  0.0023 -0.0490      0.0099 -0.0001 -0.0000 -0.0002  0.0001
 -0.0000 -0.0002 -0.0000  0.0491  0.0018     -0.0000  0.0491 -0.0000 -0.0002 -0.0002
 
spin component  3
 
  0.0002 -0.0099 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0018  0.0000  0.0001 -0.0002      0.0000  0.0003 -0.0170  0.0001 -0.0491
  0.0000  0.0000  0.0001  0.0171 -0.0000      0.0000  0.0170  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0170  0.0023  0.0491      0.0099 -0.0004 -0.0000  0.0002  0.0002
 -0.0000  0.0001 -0.0000 -0.0490  0.0018      0.0000  0.0490 -0.0000 -0.0001  0.0002
 
spin component  4
 
  0.5938 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0201
 -0.0000  0.5431  0.0000 -0.0000  0.0002      0.0000  0.0000 -0.0001 -0.0517  0.0009
 -0.0001  0.0000  0.5964 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5433 -0.0001      0.0000  0.0517  0.0000  0.0000 -0.0001
 -0.0000  0.0002 -0.0000 -0.0001  0.5468      0.0201 -0.0009 -0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4434  v = -0.0006  0.4770  0.0001 -0.0210 -0.0557 -0.0014 -0.3455  0.0001 -0.0557  0.0225      0.0000 -0.0229 -0.0012 -0.4650 -0.3310  0.0001  0.0544  0.0008 -0.3302  0.4557
  o =  0.4446  v =  0.0022  0.3359  0.0005  0.0540 -0.0200 -0.0027  0.4684 -0.0002 -0.0217 -0.0520      0.0000  0.0544 -0.0006 -0.3528  0.4517 -0.0002  0.0176 -0.0014  0.4777  0.3183
  o =  0.5686  v = -0.5913  0.2254  0.0240  0.0265 -0.0005 -0.3492 -0.2671  0.0189 -0.0195  0.0188      0.0000 -0.0065 -0.0305 -0.0646  0.5009 -0.0211 -0.0213  0.0982 -0.2173 -0.3001
  o =  0.5694  v =  0.3543  0.1721  0.0189  0.0507  0.0015 -0.6053  0.1004  0.0363 -0.0124  0.0463      0.0000 -0.0091 -0.0391 -0.2968 -0.2912 -0.0571 -0.0141 -0.0790  0.1651 -0.5003
  o =  0.5713  v =  0.1382  0.5073 -0.0140 -0.0150 -0.0005 -0.0308  0.1186  0.0006  0.0088 -0.0343      0.0000 -0.0172  0.0832  0.4851 -0.0982  0.0467  0.0100  0.6722 -0.0057 -0.0224
  o =  0.5716  v = -0.0296 -0.0255 -0.4264  0.0424 -0.0021 -0.0556  0.3819  0.0469  0.3139  0.0111      0.0000 -0.0238  0.5401 -0.0768  0.0206 -0.0188  0.3086 -0.0731 -0.4050 -0.0378
  o =  0.6175  v = -0.5842 -0.2503  0.0230 -0.0328  0.0004 -0.3724  0.2706  0.0134  0.0107 -0.0525      0.0000 -0.0197 -0.0645  0.0365 -0.4678 -0.0661  0.0126  0.1697  0.1842  0.2957
  o =  0.6184  v =  0.3476 -0.1337  0.0388 -0.0705 -0.0015 -0.5754 -0.0888  0.0398  0.0257 -0.1006      0.0000 -0.0240 -0.0765  0.3239  0.2966 -0.1209  0.0275 -0.1467 -0.1869  0.4820
  o =  0.6195  v =  0.2041 -0.4612  0.0246  0.0279  0.0004 -0.0173  0.0166 -0.0255  0.0190  0.0222      0.0000 -0.0062 -0.1523 -0.4488  0.1719  0.0220  0.0178  0.6692 -0.1972  0.0181
  o =  0.6198  v =  0.0316 -0.1470 -0.2612  0.0177 -0.0030 -0.1076 -0.4533 -0.0372 -0.1777 -0.0096      0.0000 -0.0297  0.6417 -0.0479  0.0278 -0.0123 -0.1805  0.1450  0.4255  0.0904
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5936  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0200
  0.0000  0.5421 -0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0001  0.0519  0.0001
 -0.0001 -0.0000  0.5965  0.0000  0.0000      0.0001 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.5421 -0.0002      0.0000 -0.0519 -0.0000  0.0000 -0.0001
  0.0000 -0.0002  0.0000 -0.0002  0.5451     -0.0200 -0.0001  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0099 -0.0000
 -0.0099 -0.0000 -0.0000  0.0001  0.0002      0.0000 -0.0000 -0.0170 -0.0003 -0.0492
  0.0000 -0.0000  0.0000 -0.0170 -0.0000     -0.0000  0.0170  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0170 -0.0001 -0.0491      0.0100  0.0002  0.0000 -0.0000  0.0002
 -0.0000 -0.0002 -0.0000  0.0490  0.0001     -0.0000  0.0490 -0.0000 -0.0002 -0.0000
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0100  0.0000
  0.0099 -0.0000 -0.0000 -0.0001 -0.0002     -0.0000  0.0000 -0.0170 -0.0002 -0.0490
 -0.0000 -0.0000  0.0000  0.0170 -0.0000     -0.0000  0.0170 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0170 -0.0001  0.0490      0.0099  0.0003 -0.0000  0.0000  0.0002
  0.0000  0.0002 -0.0000 -0.0491  0.0001      0.0000  0.0492  0.0000 -0.0002  0.0000
 
spin component  4
 
  0.5937  0.0000 -0.0001 -0.0001 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0201
  0.0000  0.5436 -0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0000 -0.0514 -0.0004
 -0.0001 -0.0000  0.5966  0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0001  0.0000  0.5435 -0.0002     -0.0000  0.0514 -0.0000  0.0000  0.0002
 -0.0000 -0.0001 -0.0000 -0.0002  0.5475      0.0201  0.0004  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4439  v =  0.0002  0.1062 -0.0001 -0.5784 -0.0161 -0.0003  0.0074  0.0001 -0.0143  0.5459      0.0000 -0.5781 -0.0001 -0.1056  0.0050  0.0029  0.0147 -0.0003  0.0070  0.1000
  o =  0.4443  v = -0.0018 -0.0136 -0.0001 -0.0099  0.0389 -0.0004 -0.5806  0.0001  0.0404  0.0085      0.0000 -0.0114  0.0001  0.0109 -0.5657  0.0002 -0.0399 -0.0004 -0.5808 -0.0145
  o =  0.5688  v =  0.6873 -0.0354 -0.0140 -0.0221 -0.0000  0.1376  0.2813 -0.0164  0.0146 -0.0212      0.0000  0.0041  0.0061  0.0756 -0.5745  0.0259  0.0140  0.0239  0.2755  0.1158
  o =  0.5693  v =  0.1415  0.2711  0.0056  0.0663 -0.0005 -0.6798  0.0243  0.0188 -0.0044  0.1046      0.0000  0.0320 -0.0426 -0.2596 -0.1158 -0.1254 -0.0023  0.0063  0.0911 -0.5660
  o =  0.5712  v =  0.0330 -0.4727  0.0448  0.2023 -0.0005  0.0090  0.0534  0.2639 -0.0336  0.0131      0.0000 -0.1901  0.0571 -0.4669 -0.0232 -0.0215 -0.0341 -0.6311 -0.0279  0.0061
  o =  0.5716  v =  0.0170  0.0507  0.6840  0.0012  0.0006 -0.0055  0.0682  0.0259 -0.5005 -0.0374      0.0000 -0.0367  0.0874  0.0472 -0.0092  0.0504 -0.5002  0.0665 -0.0598 -0.0035
  o =  0.6177  v =  0.6898  0.0501 -0.0152  0.0014  0.0002  0.1718 -0.2803 -0.0109 -0.0064 -0.0070      0.0000 -0.0094  0.0096 -0.0857  0.5600 -0.0087 -0.0061  0.0299 -0.2667 -0.1407
  o =  0.6183  v = -0.1710  0.2721  0.0433  0.0118  0.0002  0.6812  0.0419 -0.0436  0.0269 -0.0289      0.0000 -0.0387  0.0453 -0.2653 -0.1396 -0.0347  0.0286 -0.0059  0.0969 -0.5662
  o =  0.6194  v =  0.0250  0.4840 -0.0555 -0.0001 -0.0003 -0.0001 -0.0193 -0.0272 -0.0387 -0.0395      0.0000 -0.0367  0.0116  0.4840  0.0221 -0.0424 -0.0380 -0.7200 -0.0040  0.0003
  o =  0.6198  v =  0.0211  0.0262  0.7132  0.0124  0.0025 -0.0321  0.0118  0.0099  0.4864  0.0367      0.0000  0.0227 -0.0332  0.0521  0.0220  0.0420  0.4889 -0.0596 -0.0334  0.0267
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6011  0.0000 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0188
  0.0000  0.5256 -0.0000 -0.0002 -0.0001      0.0000  0.0000 -0.0001  0.0385 -0.0006
 -0.0001 -0.0000  0.6029  0.0000  0.0001     -0.0000  0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5258 -0.0003      0.0000 -0.0385 -0.0000  0.0000  0.0004
  0.0000 -0.0001  0.0001 -0.0003  0.5346     -0.0188  0.0006 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0001  0.0094 -0.0000  0.0000 -0.0000      0.0001  0.0000 -0.0000 -0.0094 -0.0000
 -0.0094  0.0013 -0.0000 -0.0001  0.0001     -0.0000  0.0008 -0.0162 -0.0001 -0.0421
  0.0001  0.0000  0.0001 -0.0160 -0.0000     -0.0000  0.0160  0.0001 -0.0000  0.0000
  0.0000 -0.0001  0.0162  0.0012 -0.0416      0.0095 -0.0001  0.0000  0.0009  0.0002
  0.0000 -0.0001  0.0000  0.0421  0.0011     -0.0000  0.0424 -0.0000 -0.0001  0.0008
 
spin component  3
 
  0.0001 -0.0094  0.0001  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0095  0.0000
  0.0094  0.0013  0.0000 -0.0001 -0.0001     -0.0000 -0.0008 -0.0160  0.0001 -0.0424
 -0.0000 -0.0000  0.0001  0.0162  0.0000      0.0000  0.0162 -0.0001 -0.0000  0.0000
  0.0000 -0.0001 -0.0160  0.0012  0.0421      0.0094  0.0001  0.0000 -0.0009  0.0001
 -0.0000  0.0001 -0.0000 -0.0416  0.0011      0.0000  0.0421 -0.0000 -0.0002 -0.0008
 
spin component  4
 
  0.6012  0.0000 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0001 -0.0189
  0.0000  0.5318  0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0001 -0.0406 -0.0006
 -0.0001  0.0000  0.6034  0.0000 -0.0000     -0.0000  0.0001 -0.0000  0.0001  0.0000
  0.0000 -0.0002  0.0000  0.5319  0.0002      0.0001  0.0406 -0.0001 -0.0000  0.0004
  0.0000  0.0001 -0.0000  0.0002  0.5402      0.0189  0.0006 -0.0000 -0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4483  v = -0.0001  0.2342  0.0005  0.5371  0.0802 -0.0023  0.0157 -0.0004  0.0744 -0.4946      0.0000  0.5402 -0.0006 -0.2334  0.0212 -0.0053 -0.0800 -0.0000  0.0248  0.2145
  o =  0.4499  v =  0.0014  0.0552 -0.0002 -0.0566  0.0667 -0.0006  0.5712  0.0003  0.0684  0.0519      0.0000 -0.0624  0.0001 -0.0641  0.5626  0.0007 -0.0665 -0.0005  0.5692  0.0521
  o =  0.5537  v =  0.0579 -0.5381 -0.0000  0.3399 -0.0018 -0.0022  0.0366  0.2175 -0.0008  0.0015      0.0000 -0.3356 -0.0052 -0.5438 -0.1020 -0.0020 -0.0015 -0.3485  0.0519 -0.0045
  o =  0.5600  v = -0.0266 -0.0502 -0.1133 -0.0451 -0.0019  0.0616  0.5711  0.0058  0.1511 -0.1265      0.0000 -0.0612  0.4442  0.0300  0.0359  0.0820  0.1503 -0.0065 -0.6093  0.0965
  o =  0.5620  v = -0.4730  0.0282  0.0385 -0.0221  0.0002 -0.1381 -0.3437  0.0327 -0.0498 -0.1358      0.0000 -0.1054 -0.0151 -0.1561  0.6567  0.0961 -0.0497 -0.0491 -0.3068 -0.1980
  o =  0.5650  v = -0.1829 -0.2621 -0.0989  0.1909  0.0006  0.3962 -0.1543  0.0124  0.1134  0.3903      0.0000  0.1646 -0.0361  0.2119  0.2330 -0.2977  0.1137 -0.0220 -0.0716  0.5205
  o =  0.6136  v = -0.2431 -0.2523  0.0637  0.1311  0.0015 -0.0137  0.0557 -0.3986  0.0226  0.0061      0.0000 -0.1237 -0.0087 -0.2456 -0.1098  0.0116  0.0247  0.7761  0.0492  0.0069
  o =  0.6148  v = -0.6683  0.0198 -0.3319  0.0327  0.0000 -0.1571  0.0754  0.0910 -0.1240  0.1426      0.0000  0.0998  0.2299  0.0909 -0.3228  0.2931 -0.1243 -0.1553  0.2473  0.0741
  o =  0.6150  v = -0.4406  0.0426  0.6259 -0.0934 -0.0016 -0.0600  0.1993  0.0758  0.2340 -0.1474      0.0000 -0.0404 -0.2473  0.0704 -0.2166 -0.2858  0.2323 -0.1638  0.0157  0.0272
  o =  0.6161  v = -0.1972  0.1734 -0.3376 -0.0825  0.0007  0.6381  0.1357 -0.0133 -0.1361 -0.1796      0.0000 -0.0860 -0.2075 -0.1484 -0.1087 -0.3350 -0.1353 -0.0278 -0.0304 -0.3422
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6012 -0.0001 -0.0002 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0185
 -0.0001  0.5286 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0001  0.0443  0.0005
 -0.0002 -0.0000  0.6032 -0.0000 -0.0000      0.0000 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5275 -0.0000      0.0000 -0.0443  0.0000 -0.0000 -0.0001
  0.0000 -0.0001 -0.0000 -0.0000  0.5345     -0.0185 -0.0005 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0094 -0.0000  0.0000 -0.0000     -0.0000  0.0001  0.0001 -0.0093 -0.0000
 -0.0095 -0.0008 -0.0000 -0.0000 -0.0000     -0.0000 -0.0002 -0.0161 -0.0001 -0.0430
 -0.0000  0.0000 -0.0000 -0.0159  0.0000     -0.0000  0.0160 -0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0159 -0.0010 -0.0442      0.0094 -0.0000  0.0000 -0.0002  0.0000
  0.0000  0.0000 -0.0000  0.0438 -0.0007      0.0000  0.0429  0.0000  0.0000 -0.0002
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0094 -0.0000
  0.0094 -0.0008  0.0000 -0.0000  0.0000     -0.0001  0.0002 -0.0160  0.0000 -0.0429
 -0.0000 -0.0000 -0.0000  0.0159 -0.0000     -0.0001  0.0161  0.0001 -0.0000 -0.0000
  0.0000 -0.0000 -0.0159 -0.0010  0.0438      0.0093  0.0001  0.0000  0.0002 -0.0000
 -0.0000 -0.0000  0.0000 -0.0442 -0.0007      0.0000  0.0430  0.0000 -0.0000  0.0002
 
spin component  4
 
  0.6015 -0.0000 -0.0002 -0.0001 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0186
 -0.0000  0.5330 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0459  0.0005
 -0.0002 -0.0000  0.6037  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0001
 -0.0001 -0.0001  0.0000  0.5319  0.0000     -0.0000  0.0459  0.0000  0.0000 -0.0002
 -0.0000 -0.0000 -0.0000  0.0000  0.5395      0.0186 -0.0005  0.0001  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4441  v =  0.0027 -0.3931 -0.0002  0.1171  0.0078  0.0046  0.4132  0.0001  0.0098 -0.1060      0.0000  0.1170 -0.0004  0.4042  0.4029 -0.0013 -0.0068  0.0007  0.4246 -0.3604
  o =  0.4445  v = -0.0025 -0.4183 -0.0001  0.0754  0.0354  0.0044 -0.4038 -0.0001  0.0374 -0.0676      0.0000  0.0737 -0.0000  0.4203 -0.3929 -0.0013 -0.0362  0.0001 -0.4063 -0.3823
  o =  0.5604  v =  0.1268  0.6313  0.0017 -0.0871 -0.0013 -0.0453  0.1003 -0.0600 -0.0015 -0.0120      0.0000  0.0762  0.0098  0.5640 -0.1884  0.0105 -0.0024  0.4391  0.0740 -0.0633
  o =  0.5629  v =  0.4547 -0.0751  0.0276  0.0013 -0.0010 -0.1417  0.4442  0.0178 -0.0311 -0.0463      0.0000 -0.0435  0.1112 -0.2584 -0.6294  0.0314 -0.0325 -0.1300  0.1662 -0.2057
  o =  0.5645  v = -0.1961  0.2385  0.1438 -0.0066 -0.0002 -0.3718  0.2009 -0.0006 -0.1742 -0.0206      0.0000 -0.0107  0.2663 -0.2138  0.2633  0.0149 -0.1767  0.0107 -0.4459 -0.5081
  o =  0.5655  v =  0.0448 -0.0477  0.3895  0.2222  0.0055  0.0924 -0.0296  0.0193 -0.4597  0.4367      0.0000  0.1757 -0.0471  0.0637 -0.0541 -0.3297 -0.4604  0.0027  0.0811  0.1244
  o =  0.6148  v =  0.8141 -0.1109  0.0327  0.0286 -0.0002 -0.1403 -0.2151 -0.0396  0.0149  0.0321      0.0000  0.0009  0.0572 -0.0489  0.3972  0.0648  0.0145  0.2287 -0.1734  0.0640
  o =  0.6155  v =  0.2490  0.3016 -0.0345 -0.1897  0.0023  0.1919 -0.0611  0.2853 -0.0111 -0.1806      0.0000  0.0232 -0.0082  0.2049  0.1298 -0.3411 -0.0097 -0.6816 -0.0678 -0.1009
  o =  0.6156  v = -0.1017 -0.1849 -0.0597 -0.2177  0.0014 -0.6455 -0.0677  0.4151 -0.0233 -0.1429      0.0000  0.0870  0.2344  0.1243 -0.0562 -0.2745 -0.0250  0.0841  0.1203  0.3337
  o =  0.6167  v =  0.0387 -0.0167 -0.6753  0.0246  0.0034 -0.1575  0.1899  0.0495 -0.2827  0.0880      0.0000  0.0597 -0.4702  0.0652  0.0187  0.1648 -0.2836 -0.0651 -0.2052  0.0861
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5994 -0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0184
 -0.0001  0.5307  0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000  0.0382 -0.0001
 -0.0001  0.0000  0.6016 -0.0000 -0.0001      0.0001  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5309  0.0000      0.0000 -0.0382 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0001  0.0000  0.5386     -0.0184  0.0001 -0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0091  0.0000 -0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0091 -0.0000
 -0.0091  0.0000 -0.0000  0.0000  0.0001     -0.0000 -0.0000 -0.0158 -0.0000 -0.0386
  0.0000  0.0000 -0.0000 -0.0159  0.0000      0.0000  0.0159 -0.0000 -0.0000 -0.0000
 -0.0001  0.0000  0.0159  0.0001 -0.0388      0.0090  0.0000 -0.0000 -0.0000  0.0001
 -0.0000 -0.0001 -0.0000  0.0389  0.0001      0.0000  0.0386 -0.0000 -0.0001 -0.0001
 
spin component  3
 
  0.0000 -0.0091  0.0000 -0.0001 -0.0000     -0.0001  0.0000 -0.0000 -0.0090 -0.0000
  0.0091  0.0000  0.0000  0.0000 -0.0001     -0.0000  0.0000 -0.0159 -0.0000 -0.0386
  0.0000 -0.0000 -0.0000  0.0159 -0.0000     -0.0000  0.0158  0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0159  0.0001  0.0389      0.0091  0.0000  0.0000  0.0000  0.0001
 -0.0000  0.0001  0.0000 -0.0388  0.0001      0.0000  0.0386  0.0000 -0.0001  0.0001
 
spin component  4
 
  0.5995 -0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0184
 -0.0000  0.5293  0.0000 -0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0381 -0.0002
 -0.0000  0.0000  0.6017 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5293 -0.0000      0.0000  0.0381 -0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0000 -0.0000  0.5367      0.0184  0.0002  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4553  v = -0.0041 -0.1241  0.0002  0.1011 -0.0434  0.0004 -0.5665  0.0002 -0.0471 -0.0967      0.0000  0.1005  0.0001  0.1243 -0.5258 -0.0004  0.0463 -0.0002 -0.5673 -0.1184
  o =  0.4557  v =  0.0012 -0.2818 -0.0002  0.4882  0.0647  0.0013  0.1458 -0.0001  0.0698 -0.4655      0.0000  0.4881 -0.0002  0.2830  0.1349 -0.0021 -0.0692  0.0001  0.1458 -0.2695
  o =  0.5563  v =  0.0130  0.0021 -0.2688 -0.0084 -0.0021  0.0101  0.5120 -0.0037  0.3850 -0.0065      0.0000  0.0017  0.3527  0.0179 -0.0196  0.0044  0.3845  0.0072 -0.4936  0.0166
  o =  0.5576  v =  0.0043 -0.6483  0.0000 -0.0585  0.0004  0.0294  0.0146 -0.0338  0.0007 -0.0254      0.0000  0.0354  0.0067 -0.6054 -0.0088  0.0149  0.0001 -0.4508 -0.0063  0.0443
  o =  0.5607  v =  0.1126 -0.2918  0.0051 -0.0126  0.0000  0.4837  0.0577  0.0160 -0.0074 -0.0672      0.0000 -0.0515 -0.0134  0.3690 -0.1624  0.0466 -0.0078  0.0303  0.0921  0.6949
  o =  0.5614  v = -0.4935 -0.0739 -0.0090 -0.0039  0.0005  0.1137 -0.3154  0.0038  0.0091 -0.0164      0.0000 -0.0109  0.0074  0.0781  0.7034  0.0109  0.0089  0.0012 -0.3334  0.1602
  o =  0.6124  v =  0.4114  0.1254 -0.0402  0.1319  0.0014  0.3649 -0.1156  0.0493 -0.0136  0.3113      0.0000  0.1677  0.0606 -0.0415  0.2000  0.6525 -0.0121 -0.1231 -0.0733 -0.1733
  o =  0.6126  v =  0.5711 -0.0442  0.0792 -0.0592 -0.0021 -0.2040 -0.3259 -0.0230  0.0285 -0.1400      0.0000 -0.0754  0.5547  0.0512  0.2790 -0.2917  0.0267 -0.0102  0.0630  0.0987
  o =  0.6128  v =  0.4942 -0.0179 -0.0608 -0.0433  0.0013 -0.0774  0.1286 -0.0157 -0.0214 -0.1014      0.0000 -0.0547 -0.6926  0.0177  0.2426 -0.2134 -0.0197  0.0005 -0.3567  0.0368
  o =  0.6131  v =  0.0628 -0.2945 -0.0030  0.0094  0.0008  0.0960 -0.0211  0.0133 -0.0012  0.0293      0.0000  0.0191  0.0184 -0.3399  0.0311  0.0572 -0.0004  0.8807 -0.0084 -0.0477
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6008  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0001  0.0000  0.0199
  0.0000  0.5384 -0.0000 -0.0002 -0.0001     -0.0000  0.0000 -0.0000  0.0518 -0.0001
 -0.0001 -0.0000  0.6033  0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5379 -0.0000     -0.0000 -0.0518  0.0000  0.0000 -0.0001
  0.0000 -0.0001 -0.0000 -0.0000  0.5472     -0.0199  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0099 -0.0000 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0099 -0.0000
 -0.0098  0.0003  0.0000 -0.0000  0.0000      0.0000 -0.0004 -0.0169  0.0000 -0.0510
 -0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0170 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0169  0.0003 -0.0506      0.0098  0.0000  0.0000 -0.0003  0.0000
  0.0000  0.0000 -0.0000  0.0515  0.0003      0.0000  0.0515  0.0000  0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0098 -0.0000  0.0000  0.0000      0.0001 -0.0000  0.0000 -0.0098 -0.0000
  0.0099  0.0003  0.0000 -0.0000  0.0000     -0.0000  0.0004 -0.0170 -0.0000 -0.0515
 -0.0000  0.0000  0.0000  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0003  0.0515      0.0099 -0.0000  0.0000  0.0003 -0.0000
 -0.0000  0.0000  0.0000 -0.0506  0.0003      0.0000  0.0510 -0.0000 -0.0000  0.0003
 
spin component  4
 
  0.6005  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0001  0.0001  0.0000 -0.0196
  0.0000  0.5331  0.0000 -0.0002  0.0001     -0.0001 -0.0000 -0.0000 -0.0498 -0.0001
 -0.0001  0.0000  0.6026 -0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5328 -0.0000     -0.0000  0.0498  0.0000 -0.0000 -0.0002
  0.0000  0.0001  0.0000 -0.0000  0.5411      0.0196  0.0001  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4360  v =  0.0012  0.1739  0.0001  0.5396  0.0153 -0.0005  0.1357  0.0002  0.0148 -0.5272      0.0000  0.5380  0.0002 -0.1736  0.1226 -0.0022 -0.0171 -0.0000  0.1342  0.1698
  o =  0.4366  v = -0.0045  0.0198  0.0002  0.1327  0.0263  0.0002 -0.5765  0.0002  0.0273 -0.1291      0.0000  0.1298  0.0002 -0.0177 -0.5293 -0.0008 -0.0292  0.0001 -0.5770  0.0189
  o =  0.5670  v = -0.0266 -0.0040  0.0924  0.0092 -0.0027  0.0135  0.5679 -0.0017 -0.0992  0.0248      0.0000  0.0121  0.5409  0.0101  0.0295 -0.0195 -0.1001  0.0026 -0.5943  0.0164
  o =  0.5714  v = -0.0987  0.0826 -0.0101  0.5957 -0.0016  0.1203 -0.0605  0.4620  0.0102  0.3501      0.0000 -0.2562 -0.0163  0.1975  0.1016 -0.3491  0.0075  0.1493 -0.0296  0.1175
  o =  0.5715  v = -0.1088  0.5002 -0.0208 -0.0496  0.0003 -0.4500 -0.0512 -0.1805  0.0181  0.2330      0.0000  0.2769 -0.0005  0.0655  0.1099 -0.2327  0.0202  0.3086 -0.0494 -0.4443
  o =  0.5730  v =  0.6378  0.0972  0.0023  0.0848 -0.0005 -0.0621  0.3033  0.0439  0.0005  0.0965      0.0000  0.0077  0.0230  0.0423 -0.6170 -0.1014 -0.0002  0.0794  0.2579 -0.0576
  o =  0.6190  v = -0.0375  0.0123  0.0753 -0.0312 -0.0030  0.0338 -0.3736  0.0269  0.0366 -0.0349      0.0000 -0.0019  0.8278 -0.0078 -0.0247 -0.0543  0.0334 -0.0030  0.3966 -0.0216
  o =  0.6205  v =  0.0865  0.1665  0.0625  0.2264 -0.0003  0.4786 -0.0377 -0.0569  0.0324  0.4025      0.0000  0.1698  0.0221 -0.1538  0.0565  0.5913  0.0324 -0.0127 -0.0156 -0.3250
  o =  0.6211  v = -0.1264 -0.3593  0.0278 -0.2008  0.0005  0.0007  0.0479  0.4132  0.0128  0.0462      0.0000  0.2475 -0.0159 -0.3589 -0.0886  0.0626  0.0125  0.6597  0.0325 -0.0000
  o =  0.6219  v = -0.7390  0.0799  0.0018  0.0631 -0.0003  0.0502  0.2670 -0.0759 -0.0004  0.0422      0.0000 -0.0226 -0.0340  0.0437 -0.5369  0.0553 -0.0004 -0.1111  0.2315 -0.0373
     EDDAV:  cpu time   72.2768: real time   73.0290
       DOS:  cpu time    0.0453: real time    0.0455
    CHARGE:  cpu time    1.1665: real time    1.1771
    MIXING:  cpu time    0.0312: real time    0.0314
    --------------------------------------------
      LOOP:  cpu time   74.4380: real time   75.2085

 eigenvalue-minimisations  : 12848
 total energy-change (2. order) : 0.1912890E+01  (-0.2403530E+00)
 number of electron    1039.9999693 magnetization       0.0153666     -0.0031897     -0.0149206
 augmentation part       28.5279438 magnetization      -0.0455385      0.0007740      0.0593733

 Broyden mixing:
  rms(total) = 0.23532E+01    rms(broyden)= 0.23532E+01
  rms(prec ) = 0.25075E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5863
  2.0237  0.5462  0.5462  0.3455  0.2516  0.2516  0.1392

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17395.10806791
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.13616168
  PAW double counting   =     84034.38240338   -82852.83479735
  entropy T*S    EENTRO =        -0.16365633
  eigenvalues    EBANDS =     -6121.09980081
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1067.16111107 eV

  energy without entropy =    -1066.99745475  energy(sigma->0) =    -1067.10655896


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  13)  ---------------------------------------


    POTLOK:  cpu time    0.4733: real time    0.4787
    SETDIJ:  cpu time    0.4497: real time    0.4520
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6020  0.0000 -0.0000  0.0001  0.0000      0.0000  0.0000  0.0001 -0.0000  0.0186
  0.0000  0.5270 -0.0000 -0.0000 -0.0001     -0.0000  0.0000 -0.0000  0.0352 -0.0007
 -0.0000 -0.0000  0.6042  0.0000 -0.0001     -0.0001  0.0000  0.0000  0.0000 -0.0000
  0.0001 -0.0000  0.0000  0.5263 -0.0002      0.0000 -0.0352 -0.0000 -0.0000  0.0006
  0.0000 -0.0001 -0.0001 -0.0002  0.5342     -0.0186  0.0007  0.0000 -0.0006  0.0000
 
spin component  2
 
  0.0001  0.0093 -0.0000 -0.0000 -0.0000      0.0001 -0.0000 -0.0000 -0.0093 -0.0000
 -0.0093  0.0016 -0.0000 -0.0001 -0.0001     -0.0000  0.0009 -0.0162 -0.0001 -0.0377
  0.0000  0.0000  0.0001 -0.0158  0.0000     -0.0000  0.0159  0.0001 -0.0000  0.0000
  0.0000 -0.0001  0.0161  0.0013 -0.0379      0.0093 -0.0001  0.0000  0.0012 -0.0000
  0.0000  0.0000 -0.0000  0.0388  0.0015     -0.0000  0.0388 -0.0000  0.0000  0.0013
 
spin component  3
 
  0.0001 -0.0093  0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0093  0.0000
  0.0093  0.0016  0.0000 -0.0001  0.0000      0.0000 -0.0009 -0.0159  0.0001 -0.0388
 -0.0000 -0.0000  0.0001  0.0161 -0.0000      0.0000  0.0162 -0.0001 -0.0000  0.0000
 -0.0000 -0.0001 -0.0158  0.0013  0.0388      0.0093  0.0001  0.0000 -0.0012 -0.0000
 -0.0000 -0.0001  0.0000 -0.0379  0.0015      0.0000  0.0377 -0.0000  0.0000 -0.0013
 
spin component  4
 
  0.6023  0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0187
  0.0001  0.5342 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0380 -0.0008
 -0.0000 -0.0000  0.6047 -0.0001 -0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0001  0.5337  0.0002      0.0000  0.0380 -0.0000 -0.0000  0.0005
 -0.0000  0.0000 -0.0001  0.0002  0.5422      0.0187  0.0008 -0.0000 -0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4563  v = -0.0007 -0.2116  0.0011  0.5509  0.0441  0.0025  0.0781 -0.0000  0.0352 -0.4954      0.0000  0.5471 -0.0003  0.2119  0.0849 -0.0064 -0.0475 -0.0003  0.0824 -0.1912
  o =  0.4584  v =  0.0009  0.0602 -0.0001 -0.0674  0.0529 -0.0013  0.5668  0.0008  0.0546  0.0595      0.0000 -0.0743  0.0000 -0.0725  0.5652  0.0015 -0.0513 -0.0010  0.5704  0.0554
  o =  0.5520  v =  0.0749 -0.5173 -0.0018  0.3900 -0.0001  0.0026  0.0633  0.2301  0.0009  0.0198      0.0000 -0.3730  0.0008 -0.5090 -0.1404 -0.0107  0.0010 -0.3094  0.0602  0.0034
  o =  0.5591  v = -0.3638  0.0140 -0.2200 -0.0240 -0.0005 -0.1237 -0.3327  0.0416  0.3060 -0.1861      0.0000 -0.1415 -0.0365 -0.1638  0.5581  0.1148  0.3072 -0.0525 -0.2288 -0.2007
  o =  0.5601  v =  0.2597  0.0582 -0.3738 -0.0583 -0.0003 -0.0193  0.0956 -0.0261  0.5099 -0.0561      0.0000  0.0192 -0.0725  0.0410 -0.3910  0.0332  0.5130  0.0358  0.2931 -0.0327
  o =  0.5645  v =  0.1392  0.2473  0.1251 -0.1979 -0.0013 -0.3642  0.1365 -0.0029 -0.1530 -0.4369      0.0000 -0.1929  0.0380 -0.2085 -0.1863  0.3119 -0.1551  0.0158  0.0418 -0.5087
  o =  0.6139  v = -0.6880 -0.1620 -0.0146  0.1031  0.0005 -0.1031  0.1467 -0.2858 -0.0039  0.0440      0.0000 -0.0616 -0.0020 -0.1202 -0.2944  0.1076 -0.0032  0.4842  0.1452  0.0417
  o =  0.6146  v = -0.5013  0.1664 -0.1000 -0.0906 -0.0001 -0.1304  0.1057  0.3676 -0.0348  0.0511      0.0000  0.1388  0.0193  0.2182 -0.2239  0.1186 -0.0354 -0.6204  0.1223  0.0563
  o =  0.6156  v =  0.2033 -0.1116 -0.5845  0.1203  0.0027 -0.3962 -0.0220 -0.0513 -0.2067  0.2282      0.0000  0.0880 -0.0781  0.0657  0.1016  0.4644 -0.2059  0.0687 -0.0771  0.1950
  o =  0.6165  v =  0.0965 -0.1168  0.6051  0.0649 -0.0015 -0.4687 -0.1213  0.0322  0.2282  0.1583      0.0000  0.0833  0.2524  0.1081  0.0524  0.3072  0.2283  0.0077  0.0703  0.2398
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018  0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0002  0.0000  0.0188
  0.0000  0.5296  0.0000 -0.0001  0.0001     -0.0000  0.0000  0.0000  0.0356  0.0007
 -0.0000  0.0000  0.6039 -0.0000  0.0000     -0.0002 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5297  0.0002     -0.0000 -0.0356  0.0000 -0.0000 -0.0001
  0.0000  0.0001  0.0000  0.0002  0.5380     -0.0188 -0.0007  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0094  0.0000
 -0.0095 -0.0017  0.0000 -0.0000  0.0000     -0.0000 -0.0002 -0.0163  0.0001 -0.0387
 -0.0000  0.0000 -0.0001 -0.0161  0.0000      0.0000  0.0161  0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0163 -0.0016 -0.0385      0.0094  0.0001  0.0000 -0.0002 -0.0000
  0.0000  0.0000  0.0000  0.0387 -0.0016      0.0000  0.0389 -0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0094 -0.0000
  0.0094 -0.0017  0.0000 -0.0000  0.0000      0.0000  0.0002 -0.0161 -0.0001 -0.0389
  0.0000  0.0000 -0.0001  0.0163  0.0000      0.0000  0.0163 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0161 -0.0016  0.0387      0.0094 -0.0001  0.0000  0.0002  0.0000
 -0.0000  0.0000  0.0000 -0.0385 -0.0016     -0.0000  0.0387 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6021 -0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0002  0.0000 -0.0190
 -0.0000  0.5363 -0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0000 -0.0379  0.0007
 -0.0000 -0.0000  0.6045  0.0000  0.0001     -0.0002 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0000  0.5360 -0.0001     -0.0000  0.0379 -0.0000 -0.0000 -0.0001
  0.0000 -0.0000  0.0001 -0.0001  0.5440      0.0190 -0.0007 -0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4587  v =  0.0004 -0.5228 -0.0005  0.2616 -0.0653  0.0058 -0.0928  0.0000 -0.0609 -0.2389      0.0000  0.2640 -0.0009  0.5202 -0.0916 -0.0027  0.0675 -0.0001 -0.0818 -0.4739
  o =  0.4601  v = -0.0012  0.1069  0.0000  0.0197  0.0044 -0.0018 -0.5674  0.0002  0.0041 -0.0176      0.0000  0.0184  0.0004 -0.1195 -0.5622  0.0001 -0.0048 -0.0012 -0.5707  0.0973
  o =  0.5546  v = -0.0609 -0.6333  0.0003  0.1004 -0.0004  0.0077 -0.0428  0.0650 -0.0013 -0.0001      0.0000 -0.0995  0.0009 -0.6238  0.1081 -0.0002 -0.0005 -0.4071 -0.0490  0.0104
  o =  0.5612  v =  0.0438  0.0761  0.1698 -0.0186 -0.0016 -0.1312  0.5855  0.0011 -0.2225 -0.0474      0.0000 -0.0200  0.4214 -0.0930 -0.0643  0.0300 -0.2238 -0.0038 -0.5184 -0.2021
  o =  0.5623  v =  0.4650  0.0246 -0.0246  0.0072  0.0001 -0.1589  0.2166  0.0101  0.0315 -0.0116      0.0000 -0.0190 -0.0856 -0.1911 -0.6500  0.0075  0.0314 -0.0633  0.4299 -0.2295
  o =  0.5655  v = -0.1909  0.3105 -0.0231 -0.0221  0.0004 -0.4851 -0.2535 -0.0035  0.0270 -0.0414      0.0000 -0.0152 -0.1154 -0.2695  0.2453  0.0315  0.0276  0.0199  0.0170 -0.6444
  o =  0.6147  v = -0.4597  0.2674 -0.0135 -0.0404  0.0003  0.1159  0.1074  0.1148 -0.0050 -0.0079      0.0000  0.0324 -0.0079  0.2151 -0.2133 -0.0166 -0.0052 -0.7555  0.1010 -0.0552
  o =  0.6155  v = -0.6906 -0.1271 -0.0491  0.0149 -0.0001  0.1602  0.1071 -0.0665 -0.0185 -0.0173      0.0000 -0.0305  0.1530 -0.1970 -0.3347 -0.0365 -0.0187  0.4774  0.2287 -0.0709
  o =  0.6161  v = -0.0784 -0.0466  0.6305  0.1403 -0.0070 -0.2246 -0.0624 -0.0780  0.2386  0.2544      0.0000  0.0921  0.2215  0.0582 -0.0423  0.5004  0.2339 -0.0241  0.1032  0.1153
  o =  0.6170  v = -0.2178 -0.1733 -0.0411 -0.0091  0.0016 -0.6143  0.2738  0.0033 -0.0175 -0.0183      0.0000 -0.0079 -0.5454  0.1355 -0.1163 -0.0351 -0.0157  0.0499 -0.1603  0.3298
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6026 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0197
 -0.0000  0.5394 -0.0000 -0.0001 -0.0000      0.0000  0.0000 -0.0000  0.0481 -0.0003
 -0.0001 -0.0000  0.6049 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5394 -0.0000      0.0000 -0.0481 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0000 -0.0000  0.5480     -0.0197  0.0003 -0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098 -0.0000
 -0.0098  0.0005  0.0000 -0.0000  0.0000      0.0000 -0.0001 -0.0168 -0.0000 -0.0488
 -0.0000  0.0000 -0.0000 -0.0170  0.0000      0.0000  0.0170 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0168  0.0004 -0.0494      0.0098 -0.0000  0.0000 -0.0001 -0.0000
 -0.0000  0.0000 -0.0000  0.0490  0.0005     -0.0000  0.0485  0.0000  0.0000 -0.0001
 
spin component  3
 
  0.0000 -0.0098 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0098  0.0000
  0.0098  0.0005  0.0000 -0.0000  0.0000     -0.0000  0.0001 -0.0170  0.0000 -0.0485
  0.0000  0.0000 -0.0000  0.0168 -0.0000     -0.0000  0.0168  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0170  0.0004  0.0490      0.0098  0.0000 -0.0000  0.0001 -0.0000
 -0.0000  0.0000  0.0000 -0.0494  0.0005      0.0000  0.0488  0.0000  0.0000  0.0001
 
spin component  4
 
  0.6023 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0001 -0.0000 -0.0196
 -0.0000  0.5339 -0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0468 -0.0003
 -0.0001 -0.0000  0.6046 -0.0000 -0.0000     -0.0001  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5338 -0.0000      0.0000  0.0468 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0000 -0.0000  0.5425      0.0196  0.0003  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4417  v = -0.0053  0.0092  0.0001  0.0072 -0.0005 -0.0001 -0.5909 -0.0000 -0.0012 -0.0072      0.0000  0.0065 -0.0000 -0.0067 -0.5462 -0.0000  0.0004  0.0001 -0.5934  0.0088
  o =  0.4434  v =  0.0002  0.4591  0.0003  0.3557  0.0010 -0.0012  0.0105  0.0000 -0.0007 -0.3489      0.0000  0.3537 -0.0000 -0.4598  0.0094 -0.0009 -0.0013  0.0002  0.0123  0.4517
  o =  0.5660  v = -0.0179  0.0168  0.0243 -0.0065  0.0017 -0.0267 -0.6129 -0.0037 -0.0282 -0.0074      0.0000 -0.0002 -0.5202 -0.0146  0.0220  0.0069 -0.0275  0.0001  0.5901 -0.0349
  o =  0.5705  v =  0.0576 -0.6329 -0.0015  0.0193  0.0005  0.1359  0.0205  0.0170  0.0017  0.0049      0.0000 -0.0132 -0.0098 -0.4880 -0.0669 -0.0064  0.0013 -0.5575  0.0384  0.1460
  o =  0.5717  v = -0.0879  0.1694 -0.0103  0.0401  0.0001 -0.5892 -0.0157  0.0175  0.0102  0.0433      0.0000  0.0025  0.0292 -0.4383  0.0951 -0.0418  0.0106 -0.1383 -0.0727 -0.6196
  o =  0.5735  v =  0.6276  0.0840  0.0018  0.0039  0.0002 -0.1052  0.2773  0.0007  0.0003  0.0058      0.0000  0.0014 -0.0146 -0.0160 -0.6369 -0.0055  0.0004  0.0387  0.3044 -0.1035
  o =  0.6194  v = -0.0224 -0.0233 -0.3710  0.0042  0.0037 -0.0573  0.3371  0.0057 -0.1621  0.0148      0.0000  0.0099 -0.7649  0.0087 -0.0122  0.0262 -0.1591  0.0164 -0.3240  0.0336
  o =  0.6210  v =  0.1420  0.3527  0.0053 -0.0024  0.0010  0.7233 -0.0096  0.0698  0.0024  0.0667      0.0000  0.0681 -0.0673 -0.1040  0.0904  0.1054  0.0039 -0.2546 -0.0754 -0.4617
  o =  0.6216  v =  0.0666  0.2972  0.0002  0.0238 -0.0001 -0.2630 -0.0219 -0.0235  0.0005  0.0239      0.0000 -0.0009  0.0036  0.4661  0.0441  0.0389  0.0007 -0.7649 -0.0177  0.1724
  o =  0.6226  v =  0.7547 -0.0948 -0.0140 -0.0018 -0.0002 -0.1067 -0.2389 -0.0108 -0.0052 -0.0145      0.0000 -0.0124 -0.0064 -0.0221  0.5212 -0.0221 -0.0054  0.1102 -0.2486  0.0746
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6025 -0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0190
 -0.0000  0.5370  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000  0.0444 -0.0001
 -0.0000  0.0000  0.6052 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5368 -0.0001     -0.0000 -0.0444  0.0000  0.0000 -0.0002
  0.0000  0.0001  0.0000 -0.0001  0.5447     -0.0190  0.0001  0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0095  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0000
 -0.0094  0.0003 -0.0000 -0.0000 -0.0000      0.0000 -0.0005 -0.0163  0.0000 -0.0429
  0.0000  0.0000 -0.0000 -0.0165 -0.0000     -0.0000  0.0165 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0163  0.0003 -0.0424      0.0094 -0.0000 -0.0000 -0.0005 -0.0001
 -0.0000 -0.0000  0.0000  0.0425  0.0003      0.0000  0.0428  0.0000 -0.0000 -0.0005
 
spin component  3
 
  0.0000 -0.0094  0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0094 -0.0000
  0.0095  0.0003  0.0000 -0.0000 -0.0000     -0.0000  0.0005 -0.0165  0.0000 -0.0428
  0.0000 -0.0000 -0.0000  0.0163  0.0000      0.0000  0.0163  0.0000  0.0000 -0.0000
  0.0000 -0.0000 -0.0165  0.0003  0.0425      0.0095 -0.0000  0.0000  0.0005  0.0000
  0.0000 -0.0000 -0.0000 -0.0424  0.0003      0.0000  0.0429  0.0000  0.0001  0.0005
 
spin component  4
 
  0.6020 -0.0000  0.0000  0.0000  0.0001      0.0000 -0.0000 -0.0000  0.0000 -0.0188
 -0.0000  0.5293 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0417 -0.0001
  0.0000 -0.0000  0.6046 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0000  0.5293  0.0001     -0.0000  0.0417  0.0000 -0.0000 -0.0003
  0.0001 -0.0000  0.0000  0.0001  0.5373      0.0188  0.0001 -0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4494  v =  0.0072 -0.0211 -0.0001  0.0042 -0.0042  0.0000  0.5985 -0.0001 -0.0042 -0.0043      0.0000  0.0072 -0.0001  0.0191  0.5335 -0.0003  0.0052 -0.0000  0.5965 -0.0207
  o =  0.4505  v = -0.0006 -0.5668 -0.0003 -0.1259  0.0102  0.0019 -0.0192  0.0002  0.0112  0.1234      0.0000 -0.1257  0.0001  0.5664 -0.0161  0.0006 -0.0077  0.0001 -0.0203 -0.5566
  o =  0.5593  v =  0.0163  0.0117 -0.0012 -0.0221  0.0005 -0.0195 -0.6183 -0.0012  0.0017 -0.0469      0.0000 -0.0202 -0.4481 -0.0149 -0.0230  0.0300  0.0013 -0.0016  0.6407 -0.0294
  o =  0.5648  v = -0.0668  0.1782 -0.0331  0.3467  0.0004 -0.2725 -0.0642  0.0493  0.0409  0.5853      0.0000  0.2276 -0.0185 -0.1737  0.0925 -0.4423  0.0409  0.0020 -0.0194 -0.3590
  o =  0.5668  v =  0.2136 -0.2831 -0.0034 -0.4183 -0.0005 -0.0160  0.1271 -0.4033  0.0036  0.0928      0.0000  0.5080  0.0033 -0.3018 -0.2799 -0.0734  0.0031 -0.2542  0.1166 -0.0194
  o =  0.5678  v = -0.5053 -0.1447  0.0032 -0.2260 -0.0004  0.0332 -0.3003 -0.1845 -0.0039 -0.0434      0.0000  0.1859 -0.0138 -0.1067  0.6419  0.0357 -0.0042 -0.1122 -0.2680  0.0404
  o =  0.6162  v =  0.0772  0.0918 -0.2367  0.1941 -0.0002  0.3688  0.0182 -0.0324 -0.0817  0.3667      0.0000  0.1683 -0.1065 -0.0924  0.0378  0.7207 -0.0818  0.0001 -0.0536 -0.1864
  o =  0.6168  v =  0.0733  0.0648  0.6869  0.0078  0.0004  0.2399  0.1616 -0.0180  0.2456  0.0018      0.0000 -0.0062 -0.5037 -0.0608  0.0383  0.0045  0.2455 -0.0027 -0.1978 -0.1255
  o =  0.6179  v =  0.8173  0.0178 -0.0401  0.0222  0.0000 -0.0522 -0.2283 -0.1001 -0.0148 -0.0388      0.0000 -0.0591  0.0538  0.0464  0.4554 -0.0672 -0.0148 -0.0785 -0.1878  0.0291
  o =  0.6190  v =  0.1223 -0.2250  0.0073 -0.2868 -0.0007 -0.0087 -0.0334  0.6693  0.0029  0.0120      0.0000  0.2988 -0.0038 -0.2202  0.0722  0.0216  0.0022  0.5081 -0.0346  0.0055
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6042  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0001 -0.0000  0.0198
  0.0000  0.5387  0.0000 -0.0002  0.0001     -0.0000  0.0000  0.0000  0.0528 -0.0001
 -0.0000  0.0000  0.6059  0.0000 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5389 -0.0002      0.0000 -0.0528  0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0001 -0.0002  0.5381     -0.0198  0.0001 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0100  0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0001 -0.0100  0.0000
 -0.0099 -0.0006 -0.0000  0.0000 -0.0004      0.0000 -0.0000 -0.0169 -0.0001 -0.0524
 -0.0000  0.0000 -0.0001 -0.0169  0.0000      0.0000  0.0169 -0.0000  0.0000  0.0000
 -0.0000 -0.0000  0.0169 -0.0007 -0.0522      0.0099 -0.0001 -0.0000 -0.0001 -0.0004
 -0.0000  0.0005 -0.0000  0.0530 -0.0004     -0.0000  0.0530 -0.0000  0.0005 -0.0001
 
spin component  3
 
 -0.0001 -0.0099 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0099  0.0000
  0.0100 -0.0006  0.0000 -0.0000  0.0005      0.0000  0.0000 -0.0169  0.0001 -0.0530
  0.0000 -0.0000 -0.0001  0.0169 -0.0000     -0.0001  0.0169  0.0000  0.0000  0.0000
  0.0000  0.0000 -0.0169 -0.0007  0.0530      0.0100  0.0001 -0.0000  0.0001 -0.0005
  0.0000 -0.0004  0.0000 -0.0522 -0.0004     -0.0000  0.0524 -0.0000  0.0004  0.0001
 
spin component  4
 
  0.6039  0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000  0.0001  0.0000 -0.0195
  0.0001  0.5358 -0.0000 -0.0002  0.0002      0.0000  0.0000  0.0000 -0.0523 -0.0000
 -0.0001 -0.0000  0.6055  0.0000 -0.0000     -0.0001 -0.0000  0.0000  0.0000  0.0001
  0.0000 -0.0002  0.0000  0.5359  0.0001     -0.0000  0.0523 -0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0000  0.0001  0.5343      0.0195  0.0000 -0.0001 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4314  v = -0.0006  0.5235 -0.0002  0.2322  0.0035  0.0001 -0.0269  0.0000  0.0056 -0.2370      0.0000  0.2282  0.0004 -0.5213 -0.0275  0.0003 -0.0048  0.0003 -0.0320  0.5380
  o =  0.4320  v =  0.0012  0.0301 -0.0005  0.0070  0.0019 -0.0001  0.5799 -0.0001  0.0045 -0.0078      0.0000  0.0068  0.0001 -0.0244  0.5711 -0.0001  0.0004  0.0003  0.5788  0.0302
  o =  0.5710  v =  0.1521  0.2444  0.1813 -0.2474 -0.0014 -0.3365  0.2147 -0.0204 -0.1851 -0.4367      0.0000 -0.2018  0.1233 -0.1368 -0.1727  0.3961 -0.1871  0.0528 -0.0428 -0.3707
  o =  0.5714  v = -0.4063 -0.0106 -0.2647 -0.1019 -0.0010  0.0150  0.0205  0.0246  0.2694 -0.2423      0.0000 -0.1503  0.2398  0.0107  0.4495  0.2227  0.2697  0.0008 -0.4658  0.0167
  o =  0.5719  v =  0.4064 -0.0380 -0.3362 -0.0262 -0.0001  0.1532  0.4137  0.0125  0.3383 -0.0701      0.0000 -0.0505  0.1932  0.1303 -0.4467  0.0663  0.3395  0.0475  0.0211  0.1638
  o =  0.5737  v = -0.0517  0.5175  0.0199 -0.1365  0.0008  0.0316 -0.0244 -0.1750 -0.0195  0.0573      0.0000  0.1911  0.0043  0.5531  0.0514 -0.0555 -0.0200  0.5691 -0.0316  0.0347
  o =  0.6216  v =  0.0828 -0.2353  0.0738  0.1849 -0.0025 -0.5816 -0.0788 -0.0536  0.0355  0.3096      0.0000  0.1339  0.1156  0.1202  0.0471  0.5213  0.0347  0.1116  0.0316  0.3454
  o =  0.6222  v =  0.7237 -0.0057  0.3188 -0.0282 -0.0004  0.0308 -0.1644 -0.0098  0.1549 -0.0636      0.0000 -0.0374 -0.1098 -0.0265  0.4399 -0.1037  0.1544  0.0339 -0.2716 -0.0212
  o =  0.6226  v =  0.3281 -0.0122 -0.7038  0.0355  0.0011  0.0841 -0.2009 -0.0191 -0.3484  0.0458      0.0000  0.0150  0.2073 -0.0671  0.2028  0.0767 -0.3475  0.0773  0.0035 -0.0539
  o =  0.6234  v = -0.0753 -0.3799  0.0442  0.0882 -0.0006  0.0671  0.0389 -0.2228  0.0212 -0.0613      0.0000 -0.1485 -0.0294 -0.4211 -0.0470 -0.0946  0.0214  0.7528  0.0110 -0.0407
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6044 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0196
 -0.0001  0.5367  0.0000 -0.0002 -0.0001      0.0000  0.0000  0.0001  0.0523 -0.0000
 -0.0001  0.0000  0.6056 -0.0000 -0.0000      0.0000 -0.0001  0.0000  0.0001 -0.0000
  0.0000 -0.0002 -0.0000  0.5366 -0.0002     -0.0000 -0.0523 -0.0001  0.0000  0.0000
 -0.0000 -0.0001 -0.0000 -0.0002  0.5354     -0.0196  0.0000  0.0000 -0.0000 -0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000  0.0000 -0.0000      0.0001 -0.0000 -0.0000 -0.0099 -0.0001
 -0.0100 -0.0007 -0.0000  0.0000 -0.0004      0.0000  0.0004 -0.0168 -0.0001 -0.0527
  0.0000  0.0000 -0.0001 -0.0169  0.0000     -0.0000  0.0168  0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0168 -0.0011 -0.0527      0.0100 -0.0002  0.0000  0.0003 -0.0004
  0.0000  0.0005  0.0000  0.0524 -0.0006      0.0000  0.0526  0.0001  0.0005  0.0003
 
spin component  3
 
 -0.0001 -0.0100  0.0000 -0.0000  0.0000     -0.0001 -0.0000  0.0000 -0.0100 -0.0000
  0.0099 -0.0007  0.0000  0.0001  0.0005      0.0000 -0.0004 -0.0168  0.0002 -0.0526
 -0.0000 -0.0000 -0.0001  0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000 -0.0001
  0.0000  0.0000 -0.0169 -0.0011  0.0524      0.0099  0.0001 -0.0000 -0.0003 -0.0005
 -0.0000 -0.0004  0.0000 -0.0527 -0.0006      0.0001  0.0527  0.0000  0.0004 -0.0003
 
spin component  4
 
  0.6045 -0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0001  0.0000 -0.0197
 -0.0000  0.5375  0.0000 -0.0002 -0.0003     -0.0000  0.0000  0.0001 -0.0527 -0.0000
 -0.0001  0.0000  0.6059 -0.0000 -0.0001      0.0001 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5375  0.0002     -0.0000  0.0527 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003 -0.0001  0.0002  0.5366      0.0197  0.0000 -0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4314  v =  0.0003 -0.1932 -0.0002  0.0041  0.1403  0.0006  0.5222  0.0000  0.1404 -0.0025      0.0000  0.0021  0.0001  0.1991  0.5291 -0.0001 -0.1378  0.0002  0.5240 -0.1935
  o =  0.4318  v = -0.0001 -0.3318 -0.0003  0.4252 -0.1822  0.0001 -0.0829 -0.0006 -0.1751 -0.4298      0.0000  0.4309 -0.0003  0.3354 -0.0797 -0.0002  0.1783  0.0001 -0.0747 -0.3345
  o =  0.5710  v = -0.4794 -0.2077 -0.0404 -0.0466  0.0006  0.3116 -0.3162  0.0150  0.0409 -0.1181      0.0000 -0.0743 -0.0402  0.1468  0.5390  0.1050  0.0407 -0.0273 -0.2320  0.3520
  o =  0.5713  v = -0.2822  0.0217 -0.0697 -0.1291 -0.0015 -0.4141 -0.0947 -0.1787  0.0703  0.1069      0.0000  0.2362  0.0593 -0.4398  0.3153 -0.0957  0.0682 -0.2066 -0.2186 -0.4618
  o =  0.5724  v = -0.1588  0.5177 -0.1190  0.3214 -0.0010 -0.1909 -0.0124  0.2784  0.1165  0.0947      0.0000 -0.2324  0.0779  0.3127  0.1683 -0.0848  0.1185  0.4170 -0.1642 -0.2105
  o =  0.5730  v = -0.1089  0.1099  0.5527  0.0750  0.0015 -0.0595 -0.1472  0.0152 -0.5368  0.1184      0.0000  0.0494 -0.0925  0.0435  0.1171 -0.1143 -0.5354  0.0780  0.0319 -0.0628
  o =  0.6219  v =  0.7600 -0.0463  0.1958 -0.0536 -0.0005  0.0224 -0.2473  0.1472  0.0989  0.0386      0.0000  0.0899  0.0372 -0.0627  0.4485  0.0606  0.0980  0.1152 -0.2073 -0.0183
  o =  0.6221  v = -0.1498 -0.0054  0.0941  0.1097 -0.0022  0.4136  0.0658  0.1405  0.0466  0.3581      0.0000  0.2504 -0.0455 -0.2517 -0.0858  0.6035  0.0456  0.2617  0.0236 -0.2455
  o =  0.6228  v = -0.1906 -0.2082  0.1887 -0.3636 -0.0003 -0.2682 -0.0129  0.6413  0.1012 -0.0824      0.0000  0.2810  0.1454 -0.0475 -0.1183 -0.1333  0.0970  0.2527  0.1341  0.1635
  o =  0.6231  v =  0.1309 -0.0348 -0.7371 -0.0882 -0.0016 -0.0800 -0.0084  0.2605 -0.3782  0.0770      0.0000  0.1701 -0.0583  0.0121  0.0793  0.1243 -0.3810  0.0239 -0.0692  0.0493
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5949  0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0001 -0.0000  0.0203
  0.0000  0.5425  0.0001 -0.0001  0.0002     -0.0000  0.0000 -0.0001  0.0480  0.0002
 -0.0001  0.0001  0.5985  0.0001  0.0000      0.0001  0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0001  0.5426 -0.0001      0.0000 -0.0480 -0.0000 -0.0000  0.0002
 -0.0000  0.0002  0.0000 -0.0001  0.5490     -0.0203 -0.0002 -0.0000 -0.0002 -0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0029 -0.0000 -0.0002 -0.0000     -0.0000 -0.0003 -0.0169 -0.0002 -0.0497
  0.0000  0.0000  0.0002 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0031 -0.0495      0.0099  0.0003  0.0000 -0.0003 -0.0000
 -0.0000  0.0001  0.0000  0.0499  0.0031     -0.0001  0.0498 -0.0000  0.0001 -0.0003
 
spin component  3
 
  0.0002 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099  0.0001
  0.0099  0.0029  0.0000  0.0001  0.0001     -0.0000  0.0003 -0.0169 -0.0003 -0.0498
  0.0000 -0.0000  0.0002  0.0169  0.0000      0.0000  0.0169  0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0169  0.0031  0.0499      0.0099  0.0002  0.0000  0.0003 -0.0001
 -0.0000 -0.0000  0.0000 -0.0495  0.0031      0.0001  0.0497 -0.0000  0.0000  0.0003
 
spin component  4
 
  0.5950  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0001 -0.0000 -0.0202
  0.0001  0.5436  0.0001 -0.0002  0.0001     -0.0000 -0.0000 -0.0001 -0.0482 -0.0003
 -0.0001  0.0001  0.5984 -0.0000  0.0000      0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5436 -0.0001      0.0000  0.0482  0.0000  0.0000 -0.0002
 -0.0000  0.0001  0.0000 -0.0001  0.5505      0.0202  0.0003  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4459  v =  0.0008  0.4629  0.0003  0.0567  0.0007 -0.0008 -0.3642  0.0001 -0.0011 -0.0530      0.0000  0.0547 -0.0016 -0.4490 -0.3563 -0.0002 -0.0054  0.0010 -0.3442  0.4437
  o =  0.4477  v = -0.0014 -0.3518 -0.0002 -0.0281 -0.0152  0.0022 -0.4544  0.0003 -0.0159  0.0278      0.0000 -0.0292  0.0013  0.3706 -0.4405  0.0001  0.0180  0.0018 -0.4696 -0.3384
  o =  0.5698  v =  0.3436 -0.4990  0.0417  0.0456 -0.0009  0.2185  0.2924  0.0315 -0.0308  0.0446      0.0000 -0.0066  0.1896 -0.3154 -0.2943 -0.0542 -0.0344 -0.4785 -0.0205  0.1906
  o =  0.5704  v =  0.0875  0.0354 -0.4136 -0.3505 -0.0072  0.1909  0.2123 -0.3042  0.3406 -0.2184      0.0000  0.1571  0.2086  0.1826 -0.0721  0.2591  0.3500  0.1322 -0.1363  0.1640
  o =  0.5716  v =  0.5116  0.1240  0.1062 -0.0135  0.0028  0.1935 -0.0612  0.0112 -0.0844 -0.0398      0.0000 -0.0298 -0.3277  0.2876 -0.3978  0.0527 -0.0810  0.2635  0.4604  0.1463
  o =  0.5729  v =  0.3706  0.2731 -0.0817  0.0562 -0.0011 -0.5758  0.3015  0.0289  0.0639  0.0662      0.0000  0.0073  0.2327 -0.1331 -0.2698 -0.0902  0.0610  0.0893 -0.0451 -0.4242
  o =  0.6183  v = -0.2561 -0.4377 -0.0130  0.0435  0.0015 -0.1865  0.2685 -0.0538 -0.0073  0.0240      0.0000 -0.0221 -0.2871 -0.2999 -0.2049  0.0261 -0.0074  0.6225 -0.0793  0.1451
  o =  0.6189  v =  0.0646  0.0015 -0.5902  0.3074  0.0010  0.1056 -0.0933 -0.3689 -0.3506  0.1956      0.0000 -0.1317  0.1130 -0.0774  0.0498  0.2336 -0.3601  0.0605  0.0440 -0.0864
  o =  0.6205  v = -0.5150  0.0037 -0.0971 -0.0069 -0.0007 -0.3116  0.0312 -0.0101 -0.0639 -0.0214      0.0000 -0.0179  0.2874  0.2714 -0.4348 -0.0258 -0.0645 -0.2081  0.4015  0.2602
  o =  0.6225  v =  0.3744 -0.2868 -0.0464 -0.0300 -0.0004 -0.5140 -0.2910  0.0112 -0.0318 -0.0476      0.0000 -0.0144  0.1742  0.1693  0.3498 -0.0515 -0.0315  0.0891 -0.0444  0.4765
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5948 -0.0001 -0.0002 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0202
 -0.0001  0.5420  0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0000  0.0483 -0.0004
 -0.0002  0.0000  0.5982 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5419  0.0001     -0.0000 -0.0483  0.0000  0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5479     -0.0202  0.0004 -0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0099  0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0099 -0.0000
 -0.0099 -0.0001 -0.0000  0.0002 -0.0000     -0.0000 -0.0003 -0.0169  0.0002 -0.0498
  0.0000  0.0000 -0.0001 -0.0169 -0.0000     -0.0000  0.0169  0.0000  0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0002 -0.0499      0.0099 -0.0003  0.0000 -0.0003 -0.0001
 -0.0000  0.0001  0.0000  0.0498  0.0001     -0.0000  0.0499 -0.0000  0.0001 -0.0003
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
  0.0099 -0.0001  0.0000 -0.0001  0.0001     -0.0000  0.0003 -0.0169  0.0003 -0.0499
  0.0000 -0.0000 -0.0001  0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0169 -0.0002  0.0498      0.0099 -0.0002 -0.0000  0.0003 -0.0001
  0.0000 -0.0000 -0.0000 -0.0499  0.0001      0.0000  0.0498 -0.0000  0.0001  0.0003
 
spin component  4
 
  0.5950 -0.0000 -0.0002  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0203
 -0.0000  0.5447  0.0000 -0.0002 -0.0001      0.0000  0.0000  0.0000 -0.0484  0.0002
 -0.0002  0.0000  0.5985 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5446  0.0001     -0.0000  0.0484 -0.0000  0.0000  0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5515      0.0203 -0.0002  0.0000 -0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4463  v = -0.0001 -0.4069 -0.0000  0.4124  0.0752  0.0014 -0.0415 -0.0003  0.0799 -0.3920      0.0000  0.4136 -0.0001  0.4085 -0.0417 -0.0015 -0.0769  0.0001 -0.0409 -0.3869
  o =  0.4470  v =  0.0003  0.0116  0.0001 -0.0879  0.2362 -0.0001 -0.5202  0.0005  0.2374  0.0816      0.0000 -0.0912  0.0000 -0.0110 -0.5148  0.0009 -0.2396  0.0001 -0.5213  0.0112
  o =  0.5700  v = -0.1026  0.3039  0.0063  0.4243 -0.0007  0.0423 -0.0474  0.5087 -0.0051 -0.0062      0.0000 -0.4311 -0.0073  0.3364  0.0859  0.0110 -0.0033  0.3813 -0.0347  0.0321
  o =  0.5713  v = -0.6182  0.0015 -0.3109 -0.0054 -0.0005 -0.0875 -0.2197 -0.0648  0.2428  0.1006      0.0000  0.0983  0.0244 -0.0616  0.4806 -0.1250  0.2423 -0.0371 -0.2579 -0.0681
  o =  0.5716  v =  0.3432  0.0158 -0.5727  0.0570 -0.0019  0.0465  0.1940  0.0346  0.4534  0.0648      0.0000  0.0022  0.0782  0.0474 -0.2702 -0.0808  0.4519  0.0387  0.0713  0.0354
  o =  0.5722  v =  0.1175  0.2389  0.0657  0.1822  0.0024 -0.5609 -0.0371  0.0278 -0.0515  0.3346      0.0000  0.1339 -0.1034 -0.1689 -0.0898 -0.4356 -0.0477  0.0409  0.1226 -0.4316
  o =  0.6186  v = -0.0660 -0.2562  0.0136 -0.3675 -0.0003  0.0101  0.0175  0.6215  0.0088  0.0045      0.0000  0.3724  0.0128 -0.2669 -0.0540  0.0038  0.0071  0.4400  0.0342 -0.0101
  o =  0.6197  v =  0.0346 -0.0090  0.6022  0.0262 -0.0019 -0.0322 -0.2899 -0.0139  0.3836  0.0407      0.0000  0.0115  0.4306  0.0158  0.0315  0.0479  0.3810 -0.0077  0.2572  0.0283
  o =  0.6205  v =  0.6726  0.0195 -0.0399 -0.0012 -0.0006  0.1056 -0.2800  0.0535 -0.0231  0.0719      0.0000  0.0690 -0.0118 -0.0684  0.5785  0.0841 -0.0235  0.0370 -0.2921 -0.0949
  o =  0.6217  v = -0.1333  0.2336 -0.0307  0.1880 -0.0026  0.5181  0.0241 -0.0193 -0.0213  0.3715      0.0000  0.1660  0.0485 -0.2092 -0.1175  0.4144 -0.0232 -0.0190  0.0893 -0.4643
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6045  0.0000  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0198
  0.0000  0.5385 -0.0000  0.0001  0.0002     -0.0000  0.0000 -0.0000  0.0527 -0.0000
  0.0000 -0.0000  0.6060  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0001
 -0.0000  0.0001  0.0000  0.5386 -0.0002     -0.0000 -0.0527  0.0000 -0.0000 -0.0000
  0.0000  0.0002 -0.0000 -0.0002  0.5378     -0.0198  0.0000 -0.0001  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0100  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0100  0.0000
 -0.0099 -0.0005 -0.0000  0.0000  0.0003     -0.0000  0.0001 -0.0168 -0.0001 -0.0524
  0.0000 -0.0000 -0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0168 -0.0007 -0.0521      0.0099 -0.0001 -0.0000 -0.0000  0.0004
 -0.0000 -0.0004  0.0000  0.0530 -0.0004      0.0000  0.0529 -0.0000 -0.0004 -0.0000
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0099 -0.0000
  0.0100 -0.0005 -0.0000 -0.0000 -0.0004     -0.0000 -0.0001 -0.0168  0.0001 -0.0529
  0.0000 -0.0000 -0.0000  0.0168  0.0000     -0.0000  0.0168  0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0168 -0.0007  0.0530      0.0100  0.0001  0.0000  0.0000  0.0004
  0.0000  0.0003  0.0000 -0.0521 -0.0004     -0.0000  0.0524 -0.0000 -0.0004  0.0000
 
spin component  4
 
  0.6041  0.0000  0.0001  0.0000 -0.0000     -0.0000 -0.0000  0.0001  0.0000 -0.0195
  0.0000  0.5355 -0.0000  0.0001  0.0002      0.0000 -0.0000  0.0000 -0.0523 -0.0001
  0.0001 -0.0000  0.6056  0.0000 -0.0000     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0000  0.5355  0.0001     -0.0000  0.0523  0.0000  0.0000  0.0000
 -0.0000  0.0002 -0.0000  0.0001  0.5339      0.0195  0.0001  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4312  v = -0.0003  0.5643 -0.0001  0.0107 -0.0519  0.0005 -0.0702 -0.0003 -0.0517 -0.0132      0.0000  0.0149  0.0006 -0.5648 -0.0700  0.0001  0.0518  0.0001 -0.0758  0.5818
  o =  0.4317  v =  0.0010  0.0622  0.0000  0.0628 -0.0912  0.0002  0.5667  0.0001 -0.0940 -0.0665      0.0000  0.0632  0.0002 -0.0577  0.5574 -0.0001  0.0909  0.0004  0.5649  0.0638
  o =  0.5708  v =  0.1464  0.3183 -0.1523  0.1711  0.0007 -0.4801  0.1945  0.0428  0.1605  0.2491      0.0000  0.0842  0.1066 -0.2347 -0.1675 -0.2229  0.1608  0.0410 -0.0267 -0.5360
  o =  0.5713  v = -0.3906  0.0248  0.2492  0.1222  0.0007 -0.0515  0.0808  0.0156 -0.2574  0.2031      0.0000  0.0906  0.2885 -0.0290  0.4387 -0.1863 -0.2575 -0.0017 -0.5137 -0.0568
  o =  0.5717  v =  0.4180 -0.0393  0.2935  0.0260 -0.0000  0.1257  0.4668 -0.0242 -0.2982  0.0969      0.0000  0.0763  0.2347  0.1024 -0.4645 -0.0900 -0.2992  0.0315 -0.0130  0.1361
  o =  0.5736  v = -0.0413  0.5118  0.0029 -0.2877  0.0007 -0.0217 -0.0232 -0.2681 -0.0013 -0.0673      0.0000  0.2217 -0.0013  0.4913  0.0410  0.0641 -0.0041  0.5282 -0.0213 -0.0220
  o =  0.6215  v = -0.0796  0.2656  0.0722  0.1099 -0.0000  0.7589  0.0521 -0.0834  0.0332  0.1348      0.0000  0.0288 -0.0638 -0.1929 -0.0440  0.2295  0.0327 -0.0716 -0.0069 -0.4450
  o =  0.6221  v = -0.6546 -0.0012  0.4389 -0.0622 -0.0002 -0.0645  0.1213  0.0729  0.2116 -0.0472      0.0000  0.0118  0.1511  0.0402 -0.3920 -0.0789  0.2116 -0.0399  0.2668  0.0417
  o =  0.6225  v = -0.4535  0.0077 -0.6412 -0.0066 -0.0003 -0.0196  0.2373  0.0482 -0.3130  0.0338      0.0000  0.0433 -0.2069  0.0208 -0.2764  0.0548 -0.3136 -0.0293  0.0338  0.0124
  o =  0.6233  v =  0.0955  0.2574 -0.0069 -0.3682  0.0006  0.0628 -0.0250  0.6469 -0.0015 -0.0547      0.0000  0.3133 -0.0106  0.2179  0.0593 -0.0879 -0.0040 -0.4507 -0.0350 -0.0403
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6043 -0.0000 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0195
 -0.0000  0.5362  0.0000  0.0002 -0.0000      0.0000  0.0000  0.0001  0.0521 -0.0000
 -0.0000  0.0000  0.6060  0.0000 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
 -0.0000  0.0002  0.0000  0.5363 -0.0002     -0.0000 -0.0521 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0000 -0.0002  0.5350     -0.0195  0.0000 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0001 -0.0000 -0.0099  0.0001
 -0.0099 -0.0007  0.0000  0.0000  0.0004     -0.0000  0.0004 -0.0168 -0.0002 -0.0526
  0.0000 -0.0000 -0.0001 -0.0168  0.0000      0.0000  0.0168  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0168 -0.0010 -0.0526      0.0099 -0.0001  0.0000  0.0002  0.0004
  0.0001 -0.0004  0.0000  0.0523 -0.0006     -0.0000  0.0525  0.0000 -0.0004  0.0002
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000  0.0001     -0.0000  0.0000 -0.0000 -0.0099  0.0000
  0.0099 -0.0007 -0.0000  0.0001 -0.0004     -0.0001 -0.0004 -0.0168  0.0001 -0.0525
 -0.0000  0.0000 -0.0001  0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0168 -0.0010  0.0523      0.0099  0.0002  0.0000 -0.0002  0.0004
 -0.0000  0.0004  0.0000 -0.0526 -0.0006     -0.0001  0.0526  0.0000 -0.0004 -0.0002
 
spin component  4
 
  0.6045  0.0000 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0197
  0.0000  0.5371  0.0000  0.0001 -0.0003     -0.0000 -0.0000  0.0000 -0.0526  0.0000
 -0.0000  0.0000  0.6061  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0001
 -0.0000  0.0001  0.0000  0.5371  0.0002     -0.0000  0.0526 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003 -0.0000  0.0002  0.5362      0.0197 -0.0000  0.0001 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4311  v =  0.0003 -0.1744  0.0003 -0.0260  0.2641  0.0001  0.4788  0.0004  0.2589  0.0305      0.0000 -0.0326 -0.0001  0.1798  0.4861  0.0001 -0.2630  0.0003  0.4822 -0.1751
  o =  0.4317  v = -0.0002  0.4374  0.0002 -0.3329  0.1769 -0.0000  0.0473  0.0001  0.1703  0.3340      0.0000 -0.3325  0.0003 -0.4344  0.0465  0.0003 -0.1723  0.0000  0.0413  0.4371
  o =  0.5706  v = -0.4532 -0.2764  0.0692 -0.2075 -0.0001  0.2504 -0.2899 -0.0908 -0.0723 -0.2185      0.0000 -0.0130 -0.0262  0.0145  0.5167  0.1910 -0.0738 -0.1234 -0.2335  0.2874
  o =  0.5714  v = -0.3235  0.0857 -0.0098  0.2958 -0.0016 -0.3185 -0.1283  0.0992  0.0090  0.3873      0.0000  0.0905  0.0513 -0.2701  0.3598 -0.3450  0.0105 -0.0906 -0.2336 -0.3570
  o =  0.5720  v = -0.1652  0.5790  0.0462  0.0041  0.0005 -0.0797 -0.0548  0.0577 -0.0470 -0.1124      0.0000 -0.1121  0.0403  0.4931  0.1791  0.1023 -0.0486  0.5289 -0.1344 -0.0874
  o =  0.5728  v = -0.0717  0.0318 -0.5504 -0.0252  0.0008 -0.0266 -0.1865  0.0216  0.5433 -0.0881      0.0000 -0.0709 -0.1509  0.0046  0.0765  0.0849  0.5448  0.0186  0.1122 -0.0286
  o =  0.6216  v = -0.7248  0.1332  0.0841  0.1136 -0.0007  0.2221  0.2278 -0.1061  0.0381  0.1266      0.0000  0.0150 -0.0298  0.0048 -0.4218  0.2211  0.0382 -0.1471  0.2000 -0.1261
  o =  0.6220  v = -0.3395 -0.1831 -0.0055 -0.2055  0.0029 -0.4805  0.0687  0.0997 -0.0025 -0.3168      0.0000 -0.1119  0.0714  0.1021 -0.2043 -0.5346 -0.0015  0.0831  0.1378  0.2856
  o =  0.6226  v = -0.0815 -0.3143  0.2511 -0.1026 -0.0008  0.0844 -0.0273  0.2935  0.1267  0.0883      0.0000  0.1870  0.1058 -0.3651 -0.0483  0.1429  0.1260  0.6898  0.0816 -0.0511
  o =  0.6230  v =  0.1013  0.0921  0.7493  0.0458 -0.0003  0.0007 -0.0908 -0.1689  0.3788 -0.0704      0.0000 -0.1202  0.1168  0.0919  0.0638 -0.1148  0.3791 -0.1852  0.0266 -0.0012
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5952 -0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0202
 -0.0001  0.5441  0.0000 -0.0002  0.0002      0.0000  0.0000 -0.0001  0.0477  0.0001
 -0.0001  0.0000  0.5980  0.0000 -0.0000      0.0000  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0002  0.0000  0.5441  0.0002      0.0000 -0.0477 -0.0000 -0.0000  0.0002
 -0.0000  0.0002 -0.0000  0.0002  0.5488     -0.0202 -0.0001  0.0000 -0.0002 -0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0099 -0.0000
 -0.0100  0.0023  0.0000 -0.0001  0.0001      0.0000 -0.0003 -0.0170  0.0002 -0.0495
 -0.0000  0.0000  0.0001 -0.0169 -0.0000     -0.0000  0.0169 -0.0000  0.0000 -0.0000
  0.0000  0.0002  0.0170  0.0024 -0.0496      0.0100 -0.0002 -0.0000 -0.0002  0.0001
  0.0000 -0.0003  0.0000  0.0496  0.0025     -0.0001  0.0497 -0.0000 -0.0002 -0.0003
 
spin component  3
 
  0.0002 -0.0100 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0100  0.0001
  0.0099  0.0023  0.0000  0.0002 -0.0003      0.0000  0.0003 -0.0169  0.0002 -0.0497
  0.0000  0.0000  0.0001  0.0170  0.0000      0.0000  0.0170  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0169  0.0024  0.0496      0.0099 -0.0002 -0.0000  0.0002  0.0002
 -0.0001  0.0001 -0.0000 -0.0496  0.0025      0.0000  0.0495  0.0000 -0.0001  0.0003
 
spin component  4
 
  0.5953 -0.0000 -0.0001  0.0001 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0202
 -0.0000  0.5452  0.0000  0.0000  0.0001     -0.0000 -0.0000 -0.0001 -0.0478  0.0006
 -0.0001  0.0000  0.5980 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
  0.0001  0.0000 -0.0001  0.5455 -0.0000      0.0000  0.0478  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000 -0.0000  0.5503      0.0202 -0.0006 -0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4473  v = -0.0008 -0.4290 -0.0007 -0.1767 -0.0923 -0.0001  0.3463  0.0002 -0.0894  0.1749      0.0000 -0.1801  0.0012  0.4161  0.3425  0.0001  0.0970 -0.0010  0.3324 -0.4182
  o =  0.4493  v =  0.0007  0.3418  0.0006  0.0797 -0.0427 -0.0019  0.4532 -0.0001 -0.0453 -0.0770      0.0000  0.0796 -0.0008 -0.3593  0.4476 -0.0001  0.0398 -0.0016  0.4637  0.3304
  o =  0.5704  v =  0.3231 -0.5032 -0.0548 -0.0958 -0.0014  0.1189  0.1732 -0.0831  0.0458 -0.0556      0.0000  0.0409  0.0573 -0.4027 -0.2741  0.0641  0.0476 -0.5555  0.0811  0.1009
  o =  0.5712  v =  0.1645  0.0236 -0.0217  0.1329 -0.0002  0.2943  0.4976  0.1258  0.0199  0.0725      0.0000 -0.0652  0.5425  0.2450 -0.1291 -0.0876  0.0133  0.1673 -0.3585  0.2429
  o =  0.5719  v = -0.4596 -0.0579 -0.0831 -0.0469 -0.0021 -0.3055  0.0892 -0.0461  0.0646 -0.0277      0.0000  0.0226  0.3541 -0.3041  0.3547  0.0348  0.0629 -0.2375 -0.4538 -0.2371
  o =  0.5728  v = -0.4282 -0.3046  0.0334  0.0323 -0.0001  0.5701 -0.2459  0.0346 -0.0256  0.0150      0.0000 -0.0162 -0.1260  0.1086  0.3178 -0.0191 -0.0265 -0.1308 -0.0612  0.4282
  o =  0.6187  v = -0.2255 -0.4599  0.0386 -0.0154 -0.0004 -0.0829  0.1688  0.0057  0.0237 -0.0246      0.0000 -0.0096 -0.1307 -0.3977 -0.1824 -0.0350  0.0231  0.6963 -0.0014  0.0645
  o =  0.6196  v = -0.0482  0.0444  0.1422  0.0256  0.0038 -0.1792  0.4535 -0.0214  0.0893  0.0191      0.0000 -0.0064 -0.6799  0.1783 -0.0364  0.0231  0.0916 -0.1791 -0.4113  0.1503
  o =  0.6208  v = -0.5014 -0.0409 -0.0605  0.0018  0.0002 -0.4006  0.0869 -0.0192 -0.0434 -0.0227      0.0000 -0.0265  0.1902  0.2967 -0.4226 -0.0260 -0.0424 -0.1903  0.3415  0.3372
  o =  0.6223  v =  0.4116 -0.2940 -0.0424 -0.0005 -0.0008 -0.5135 -0.2396 -0.0233 -0.0280 -0.0390      0.0000 -0.0365  0.0831  0.1575  0.3745 -0.0445 -0.0281  0.0965 -0.1237  0.4667
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5951  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0001 -0.0000  0.0201
  0.0000  0.5439 -0.0000 -0.0001 -0.0001     -0.0000  0.0000  0.0001  0.0479  0.0001
 -0.0001 -0.0000  0.5981  0.0000  0.0000      0.0001 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.5439 -0.0001      0.0000 -0.0479 -0.0000  0.0000 -0.0002
  0.0000 -0.0001  0.0000 -0.0001  0.5481     -0.0201 -0.0001  0.0000  0.0002 -0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0100  0.0001  0.0000  0.0002  0.0002      0.0000 -0.0001 -0.0169 -0.0003 -0.0496
 -0.0000 -0.0000  0.0000 -0.0169 -0.0000     -0.0000  0.0169  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0170  0.0000 -0.0495      0.0100  0.0002  0.0000 -0.0001  0.0002
 -0.0000 -0.0002 -0.0000  0.0497  0.0003     -0.0000  0.0496 -0.0000 -0.0002 -0.0001
 
spin component  3
 
 -0.0001 -0.0100 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0100  0.0000
  0.0099  0.0001 -0.0000 -0.0001 -0.0002     -0.0000  0.0001 -0.0169 -0.0002 -0.0496
 -0.0000  0.0000  0.0000  0.0170 -0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0169  0.0000  0.0497      0.0099  0.0003 -0.0000  0.0001  0.0002
  0.0000  0.0002 -0.0000 -0.0495  0.0003      0.0001  0.0496  0.0000 -0.0002  0.0001
 
spin component  4
 
  0.5953  0.0000 -0.0001 -0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0202
  0.0000  0.5457 -0.0000 -0.0000 -0.0001      0.0000 -0.0000 -0.0000 -0.0475 -0.0004
 -0.0001 -0.0000  0.5981  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0000  0.0000  0.5455 -0.0001      0.0000  0.0475 -0.0000  0.0000  0.0002
 -0.0000 -0.0001  0.0000 -0.0001  0.5509      0.0202  0.0004  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4481  v =  0.0004  0.4386  0.0000 -0.3798 -0.0627 -0.0009 -0.0272  0.0001 -0.0619  0.3660      0.0000 -0.3794 -0.0002 -0.4386 -0.0298  0.0010  0.0628 -0.0001 -0.0266  0.4233
  o =  0.4487  v = -0.0003  0.0673  0.0001  0.0180  0.0999  0.0001  0.5650 -0.0002  0.0995 -0.0158      0.0000  0.0194 -0.0002 -0.0656  0.5630 -0.0004 -0.1005  0.0003  0.5654  0.0652
  o =  0.5708  v = -0.0689 -0.1520  0.0042  0.4917 -0.0007 -0.0448 -0.0121  0.6185 -0.0055 -0.0154      0.0000 -0.5068  0.0197 -0.1903  0.0576  0.0169 -0.0052 -0.2119 -0.0430 -0.0392
  o =  0.5715  v =  0.1366 -0.0149 -0.6402 -0.0495 -0.0009  0.0099  0.0466  0.0113  0.5037 -0.1236      0.0000 -0.0679 -0.0114 -0.0081 -0.1103  0.1530  0.5026 -0.0128  0.0650  0.0066
  o =  0.5717  v =  0.6919 -0.0666  0.1331  0.0586  0.0002  0.1386  0.2481  0.0701 -0.1006  0.0070      0.0000 -0.0502 -0.0236  0.0407 -0.5382 -0.0084 -0.1008 -0.0175  0.2882  0.1087
  o =  0.5725  v = -0.1484 -0.2466  0.0031 -0.0087  0.0008  0.6939 -0.1644  0.0381 -0.0027 -0.0739      0.0000 -0.0626 -0.1416  0.2647  0.1125  0.0966 -0.0040  0.0129  0.0507  0.5318
  o =  0.6191  v = -0.0418  0.1668 -0.0132 -0.4239 -0.0002 -0.0315  0.0424  0.6913 -0.0078  0.0089      0.0000  0.4328 -0.0411  0.1897 -0.0346  0.0130 -0.0085 -0.2876 -0.0094  0.0230
  o =  0.6197  v = -0.0243  0.0486  0.6832 -0.0257  0.0003  0.0530 -0.1686  0.0150  0.4351 -0.0373      0.0000 -0.0097  0.2776  0.0052 -0.0156 -0.0449  0.4357 -0.0429  0.1849 -0.0455
  o =  0.6208  v =  0.6712  0.0752  0.0118 -0.0231  0.0002  0.1511 -0.2802  0.0448  0.0108  0.0174      0.0000  0.0387 -0.0103 -0.0540  0.5754  0.0205  0.0113 -0.0158 -0.2928 -0.1312
  o =  0.6218  v =  0.1514 -0.2734  0.0279 -0.0253 -0.0004 -0.6530 -0.1147 -0.0170  0.0202 -0.0815      0.0000 -0.0540  0.0671  0.2876  0.1336 -0.0918  0.0181 -0.0088 -0.0192  0.5804
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6023 -0.0000 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0202
 -0.0000  0.5365 -0.0000 -0.0002 -0.0001      0.0000 -0.0000 -0.0001  0.0525 -0.0007
 -0.0001 -0.0000  0.6042  0.0000  0.0000     -0.0000  0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5367 -0.0002      0.0000 -0.0525 -0.0000  0.0000  0.0004
  0.0000 -0.0001  0.0000 -0.0002  0.5454     -0.0202  0.0007 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0001  0.0101 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0101 -0.0000
 -0.0101  0.0015 -0.0000 -0.0000  0.0001     -0.0000  0.0012 -0.0174 -0.0001 -0.0546
  0.0000  0.0000  0.0001 -0.0171 -0.0000     -0.0000  0.0171  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0173  0.0015 -0.0545      0.0101 -0.0001  0.0000  0.0012  0.0001
  0.0000 -0.0001  0.0000  0.0549  0.0014     -0.0000  0.0549 -0.0000 -0.0001  0.0011
 
spin component  3
 
  0.0001 -0.0101  0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0101  0.0000
  0.0101  0.0015  0.0000 -0.0000 -0.0001     -0.0000 -0.0012 -0.0171  0.0001 -0.0549
 -0.0000 -0.0000  0.0001  0.0173  0.0000      0.0000  0.0174 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0171  0.0015  0.0549      0.0101  0.0001  0.0000 -0.0012  0.0001
  0.0000  0.0001 -0.0000 -0.0545  0.0014      0.0000  0.0546  0.0000 -0.0001 -0.0011
 
spin component  4
 
  0.6025  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0001 -0.0203
  0.0000  0.5446  0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0001 -0.0548 -0.0006
 -0.0001  0.0000  0.6047  0.0000 -0.0000     -0.0000  0.0001 -0.0000  0.0001 -0.0000
 -0.0000 -0.0002  0.0000  0.5446  0.0002      0.0001  0.0548 -0.0001 -0.0000  0.0005
  0.0000  0.0001 -0.0000  0.0002  0.5533      0.0203  0.0006  0.0000 -0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4337  v = -0.0002 -0.2021  0.0007  0.5496  0.0485  0.0018  0.0748 -0.0001  0.0417 -0.5047      0.0000  0.5504 -0.0002  0.2010  0.0799 -0.0049 -0.0516 -0.0002  0.0782 -0.1850
  o =  0.4356  v =  0.0007  0.0630 -0.0002 -0.0636  0.0601 -0.0007  0.5686  0.0004  0.0617  0.0579      0.0000 -0.0697 -0.0000 -0.0718  0.5638  0.0008 -0.0593 -0.0005  0.5684  0.0588
  o =  0.5713  v = -0.1238  0.4689  0.0004 -0.3159  0.0013 -0.0104 -0.0559 -0.3225  0.0010 -0.0001      0.0000  0.3141  0.0037  0.4599  0.1317  0.0016  0.0011  0.4755 -0.0637 -0.0093
  o =  0.5760  v = -0.6145 -0.0049 -0.1126 -0.0091  0.0004 -0.1896 -0.2889  0.0673  0.0897 -0.1416      0.0000 -0.1210 -0.0286 -0.1634  0.5327  0.1563  0.0900 -0.0999 -0.2434 -0.1729
  o =  0.5769  v = -0.2062 -0.0936  0.5793  0.0698 -0.0013  0.1795  0.0259  0.0194 -0.4576  0.1267      0.0000  0.0386  0.1413  0.0421  0.1749 -0.1423 -0.4584 -0.0319 -0.1977  0.1590
  o =  0.5789  v =  0.1936  0.1917  0.2797 -0.1616 -0.0006 -0.4879  0.1184 -0.0233 -0.2026 -0.3204      0.0000 -0.1301  0.0649 -0.1640 -0.1474  0.4008 -0.2030  0.0213  0.0244 -0.3904
  o =  0.6222  v = -0.1594 -0.3364  0.0169  0.2325  0.0002 -0.0107  0.0527 -0.4547  0.0109 -0.0013      0.0000 -0.2324 -0.0031 -0.3279 -0.1077 -0.0026  0.0116  0.6494  0.0479  0.0084
  o =  0.6257  v = -0.6238 -0.0104 -0.2068  0.0247 -0.0001 -0.2187  0.2512  0.0720 -0.1299  0.1491      0.0000  0.1142 -0.0204  0.1474 -0.4789  0.1930 -0.1301 -0.1133  0.2282  0.1688
  o =  0.6262  v = -0.2773  0.0784  0.6482 -0.0794 -0.0003  0.1233  0.0434  0.0507  0.4103 -0.1151      0.0000 -0.0219  0.1012 -0.0102 -0.2180 -0.1396  0.4098 -0.0569  0.1727 -0.1021
  o =  0.6286  v =  0.1888 -0.2109  0.2626  0.1674  0.0004 -0.4780 -0.1337 -0.0188  0.1829  0.3277      0.0000  0.1375  0.0756  0.1795  0.1667  0.3740  0.1832  0.0205 -0.0288  0.4195
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6020 -0.0000 -0.0002 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0187
 -0.0000  0.5288 -0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0000  0.0383  0.0006
 -0.0002 -0.0000  0.6041 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5283  0.0001      0.0000 -0.0383  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0001  0.5361     -0.0187 -0.0006 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0093  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0093  0.0000
 -0.0093 -0.0012 -0.0000 -0.0000  0.0001     -0.0000 -0.0002 -0.0160  0.0001 -0.0387
 -0.0000  0.0000 -0.0000 -0.0158 -0.0000     -0.0000  0.0159 -0.0001 -0.0000  0.0000
  0.0000  0.0000  0.0159 -0.0012 -0.0390      0.0093  0.0001  0.0000 -0.0002  0.0001
  0.0000 -0.0001 -0.0000  0.0392 -0.0011      0.0000  0.0392  0.0000 -0.0001 -0.0002
 
spin component  3
 
 -0.0001 -0.0093 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0093 -0.0000
  0.0093 -0.0012  0.0000  0.0000 -0.0001     -0.0000  0.0002 -0.0159 -0.0001 -0.0392
  0.0000 -0.0000 -0.0000  0.0159 -0.0000     -0.0000  0.0160  0.0001 -0.0000 -0.0000
  0.0000 -0.0000 -0.0158 -0.0012  0.0392      0.0093 -0.0001  0.0000  0.0002  0.0001
 -0.0000  0.0001 -0.0000 -0.0390 -0.0011     -0.0000  0.0387 -0.0000 -0.0001  0.0002
 
spin component  4
 
  0.6023 -0.0001 -0.0002 -0.0001  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0188
 -0.0001  0.5348 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000  0.0000 -0.0404  0.0006
 -0.0002 -0.0000  0.6045  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0001 -0.0002  0.0000  0.5343 -0.0001     -0.0000  0.0404  0.0000  0.0000 -0.0002
  0.0000 -0.0000  0.0000 -0.0001  0.5425      0.0188 -0.0006  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4551  v =  0.0003 -0.2849 -0.0007  0.5234 -0.0471  0.0032 -0.0005  0.0000 -0.0414 -0.4677      0.0000  0.5216 -0.0002  0.2868 -0.0006 -0.0062  0.0492  0.0002  0.0029 -0.2558
  o =  0.4563  v = -0.0019  0.0372  0.0000  0.0254  0.0168 -0.0010 -0.5781 -0.0001  0.0173 -0.0220      0.0000  0.0237  0.0001 -0.0464 -0.5649 -0.0006 -0.0176 -0.0008 -0.5826  0.0339
  o =  0.5563  v = -0.0754 -0.6327  0.0022  0.0664  0.0010  0.0032 -0.0511  0.0437 -0.0040 -0.0013      0.0000 -0.0671  0.0034 -0.6250  0.1270 -0.0015 -0.0033 -0.4123 -0.0619  0.0036
  o =  0.5610  v =  0.4529 -0.0036 -0.0060 -0.0026 -0.0009 -0.1383  0.4269  0.0074  0.0114 -0.0278      0.0000 -0.0227  0.0749 -0.1950 -0.6679  0.0177  0.0106 -0.0726  0.2258 -0.2135
  o =  0.5623  v = -0.1206  0.1265  0.0443  0.0191 -0.0030 -0.1543  0.4844 -0.0048 -0.0573  0.0566      0.0000  0.0309  0.4331 -0.0688  0.1733 -0.0387 -0.0596  0.0220 -0.6479 -0.2312
  o =  0.5644  v = -0.1178  0.2968 -0.0942 -0.0793  0.0015 -0.4505 -0.2696 -0.0050  0.1154 -0.1726      0.0000 -0.0753 -0.1572 -0.2633  0.1568  0.1246  0.1163  0.0150  0.1198 -0.6295
  o =  0.6146  v = -0.7052  0.1890 -0.0094 -0.0410  0.0003  0.1146  0.1665  0.0906 -0.0052 -0.0261      0.0000  0.0174 -0.0290  0.1412 -0.3198 -0.0520 -0.0047 -0.5154  0.1456 -0.0494
  o =  0.6151  v =  0.4831  0.2125  0.0375 -0.0595  0.0009 -0.1354 -0.1229  0.1486  0.0164 -0.0224      0.0000  0.0388  0.0311  0.2679  0.2264 -0.0368  0.0172 -0.7204 -0.1024  0.0603
  o =  0.6159  v =  0.1664  0.1779 -0.1329 -0.0189  0.0019  0.7061  0.1190 -0.0423 -0.0496 -0.0686      0.0000 -0.0436 -0.4288 -0.1436  0.0854 -0.1363 -0.0476 -0.0447 -0.2002 -0.3525
  o =  0.6166  v = -0.0483 -0.1114  0.1145 -0.0417  0.0044 -0.4126  0.3033  0.0436  0.0425 -0.0610      0.0000 -0.0150 -0.7438  0.0869 -0.0261 -0.1170  0.0466  0.0372 -0.2766  0.2127
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6012 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0000  0.0190
 -0.0000  0.5368  0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000  0.0395 -0.0001
 -0.0001  0.0000  0.6034 -0.0000 -0.0000      0.0001  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5369  0.0000      0.0000 -0.0395 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0000  0.0000  0.5453     -0.0190  0.0001 -0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0094  0.0000 -0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0094 -0.0000
 -0.0094  0.0001 -0.0000  0.0000  0.0001     -0.0000 -0.0000 -0.0163 -0.0000 -0.0421
  0.0000  0.0000  0.0000 -0.0164  0.0000     -0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0164  0.0000 -0.0421      0.0094 -0.0000 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002 -0.0000  0.0422  0.0001      0.0000  0.0420 -0.0000 -0.0002 -0.0001
 
spin component  3
 
  0.0000 -0.0094  0.0000 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0094 -0.0000
  0.0094  0.0001  0.0000  0.0000 -0.0002     -0.0000  0.0000 -0.0164  0.0000 -0.0420
  0.0000 -0.0000  0.0000  0.0164 -0.0000     -0.0000  0.0163 -0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0164  0.0000  0.0422      0.0094  0.0000  0.0000  0.0000  0.0002
 -0.0000  0.0001  0.0000 -0.0421  0.0001      0.0000  0.0421  0.0000 -0.0001  0.0001
 
spin component  4
 
  0.6012 -0.0000 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0190
 -0.0000  0.5345  0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0000 -0.0393 -0.0002
 -0.0000  0.0000  0.6034 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5345 -0.0000      0.0000  0.0393 -0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0000 -0.0000  0.5429      0.0190  0.0002  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4557  v =  0.0038  0.0505 -0.0001 -0.0531  0.0346  0.0000  0.5832 -0.0002  0.0371  0.0519      0.0000 -0.0525  0.0001 -0.0505  0.5474  0.0001 -0.0365  0.0002  0.5835  0.0491
  o =  0.4564  v = -0.0005  0.1351  0.0001 -0.5620 -0.0386 -0.0004 -0.0619  0.0001 -0.0412  0.5465      0.0000 -0.5618  0.0000 -0.1358 -0.0576  0.0014  0.0409 -0.0001 -0.0615  0.1318
  o =  0.5611  v =  0.0071 -0.0031 -0.4751 -0.0067 -0.0011  0.0030  0.0954 -0.0021  0.6138 -0.0081      0.0000 -0.0015  0.0704  0.0011 -0.0118  0.0057  0.6131 -0.0008 -0.0851  0.0047
  o =  0.5631  v = -0.0025  0.4864 -0.0024  0.3946  0.0006 -0.0176 -0.0031  0.3149  0.0022  0.0148      0.0000 -0.3809 -0.0001  0.4623  0.0049 -0.0097  0.0036  0.3852 -0.0011 -0.0250
  o =  0.5677  v =  0.1099 -0.3023  0.0050 -0.0467  0.0005  0.5465  0.0553  0.0193 -0.0058 -0.1369      0.0000 -0.0863 -0.0064  0.3285 -0.1324  0.1149 -0.0059  0.0126  0.0683  0.6500
  o =  0.5685  v = -0.5675 -0.0620 -0.0091 -0.0112  0.0003  0.1097 -0.3120  0.0026  0.0077 -0.0272      0.0000 -0.0146 -0.0005  0.0610  0.6680  0.0225  0.0074 -0.0008 -0.3111  0.1270
  o =  0.6160  v =  0.0454  0.0163 -0.3390 -0.0006 -0.0027  0.0157 -0.3244 -0.0040 -0.1302 -0.0043      0.0000 -0.0034  0.8066  0.0087  0.0254 -0.0059 -0.1329 -0.0319  0.3002 -0.0080
  o =  0.6167  v =  0.0651  0.3632  0.0241 -0.0112  0.0001  0.0871 -0.0071  0.1237  0.0095  0.0805      0.0000  0.0897 -0.0274  0.3150  0.0374  0.1465  0.0097 -0.8363 -0.0283 -0.0490
  o =  0.6173  v = -0.1934 -0.0274 -0.0146 -0.2025 -0.0021 -0.3798  0.0536  0.0339 -0.0060 -0.3880      0.0000 -0.1766  0.0005  0.1836 -0.1128 -0.6784 -0.0080 -0.1853  0.0540  0.2160
  o =  0.6176  v =  0.7887 -0.0387  0.0110 -0.0491 -0.0004 -0.0985 -0.2036 -0.0015  0.0058 -0.1018      0.0000 -0.0503 -0.0441  0.0183  0.4643 -0.1780  0.0057  0.0243 -0.2372  0.0580
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6015  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0001  0.0000  0.0183
  0.0000  0.5319 -0.0000 -0.0002 -0.0001     -0.0000  0.0000 -0.0000  0.0324 -0.0001
 -0.0001 -0.0000  0.6039  0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5315 -0.0000     -0.0000 -0.0324  0.0000  0.0000 -0.0001
  0.0000 -0.0001 -0.0000 -0.0000  0.5401     -0.0183  0.0001 -0.0000  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0091 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0091 -0.0000
 -0.0090  0.0002  0.0000  0.0000  0.0000      0.0000 -0.0002 -0.0156 -0.0000 -0.0315
 -0.0000 -0.0000  0.0000 -0.0156  0.0000     -0.0000  0.0157 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0156  0.0002 -0.0314      0.0090  0.0000  0.0000 -0.0002  0.0000
  0.0000  0.0000 -0.0000  0.0317  0.0002      0.0000  0.0317  0.0000 -0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0090 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0090 -0.0000
  0.0091  0.0002 -0.0000  0.0000  0.0000     -0.0000  0.0002 -0.0157 -0.0000 -0.0317
 -0.0000  0.0000  0.0000  0.0156 -0.0000     -0.0000  0.0156  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0156  0.0002  0.0317      0.0091  0.0000  0.0000  0.0002  0.0000
 -0.0000  0.0000  0.0000 -0.0314  0.0002      0.0000  0.0315 -0.0000 -0.0000  0.0003
 
spin component  4
 
  0.6011  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0001  0.0001  0.0000 -0.0179
  0.0000  0.5281  0.0000 -0.0002  0.0001     -0.0001  0.0000 -0.0000 -0.0306 -0.0001
 -0.0001  0.0000  0.6033 -0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5278 -0.0000     -0.0000  0.0306  0.0000 -0.0000 -0.0002
  0.0000  0.0001  0.0000 -0.0000  0.5356      0.0179  0.0001  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v = -0.0022 -0.1167 -0.0001 -0.5555 -0.0127  0.0008 -0.1582 -0.0002 -0.0122  0.5269      0.0000 -0.5527 -0.0002  0.1158 -0.1384  0.0044  0.0144 -0.0001 -0.1563 -0.1103
  o =  0.4694  v =  0.0077 -0.0148 -0.0003 -0.1552 -0.0160 -0.0002  0.5770 -0.0002 -0.0162  0.1464      0.0000 -0.1517 -0.0002  0.0125  0.5122  0.0015  0.0188 -0.0002  0.5785 -0.0134
  o =  0.5496  v =  0.0103  0.0007 -0.1719 -0.0080  0.0026 -0.0043 -0.5739  0.0016  0.2993 -0.0259      0.0000 -0.0125 -0.3342 -0.0063 -0.0206  0.0120  0.3000 -0.0017  0.5900 -0.0085
  o =  0.5541  v = -0.0342  0.5416 -0.0033  0.3708 -0.0018 -0.0007 -0.0272  0.2198  0.0055  0.0584      0.0000 -0.3195 -0.0011  0.5386  0.0620 -0.0305  0.0054  0.3434 -0.0240 -0.0011
  o =  0.5551  v =  0.0763 -0.1530  0.0144 -0.2490 -0.0004  0.2228  0.0672  0.0323 -0.0220 -0.6245      0.0000 -0.3428  0.0045  0.2121 -0.1350  0.3605 -0.0219  0.0196  0.0526  0.3853
  o =  0.5571  v = -0.4386 -0.0695 -0.0041 -0.0748  0.0005  0.0421 -0.3402 -0.0135  0.0039 -0.1174      0.0000 -0.0349 -0.0079 -0.0056  0.7451  0.0702  0.0046 -0.0255 -0.3143  0.0691
  o =  0.6117  v =  0.0365  0.1147 -0.0301  0.1186 -0.0003  0.6104 -0.0045  0.0221 -0.0072  0.2621      0.0000  0.1357 -0.0053 -0.1198  0.0120  0.6614 -0.0070  0.0064 -0.0070 -0.2412
  o =  0.6125  v =  0.8617  0.0153  0.1682  0.0120  0.0006 -0.0149 -0.1201 -0.0575  0.0490 -0.0116      0.0000 -0.0229 -0.1603  0.0216  0.3611 -0.0225  0.0496 -0.0594 -0.2113  0.0072
  o =  0.6129  v = -0.2311  0.0155  0.6583  0.0361  0.0010  0.0353  0.2151 -0.1086  0.1881  0.0031      0.0000 -0.0333 -0.5948 -0.0001 -0.0961  0.0061  0.1894 -0.0237 -0.1269 -0.0152
  o =  0.6133  v = -0.0556  0.2554 -0.1277  0.1334 -0.0000 -0.0034  0.0141 -0.4098 -0.0371  0.0078      0.0000 -0.1271 -0.0074  0.2557 -0.0250  0.0232 -0.0365 -0.8024  0.0099  0.0010
     EDDAV:  cpu time   75.9847: real time   76.7224
       DOS:  cpu time    0.0441: real time    0.0442
    CHARGE:  cpu time    1.1718: real time    1.1820
    MIXING:  cpu time    0.0302: real time    0.0304
    --------------------------------------------
      LOOP:  cpu time   78.1538: real time   78.9097

 eigenvalue-minimisations  : 13672
 total energy-change (2. order) : 0.7085566E-01  (-0.8779082E-01)
 number of electron    1039.9999693 magnetization       0.0193550     -0.0031487     -0.0228394
 augmentation part       28.4922455 magnetization      -0.0223845     -0.0067157      0.0463025

 Broyden mixing:
  rms(total) = 0.26673E+01    rms(broyden)= 0.26673E+01
  rms(prec ) = 0.28372E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5791
  2.0546  0.6320  0.6320  0.3997  0.3997  0.2392  0.1377  0.1377

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17396.68663676
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.15422890
  PAW double counting   =     84156.04287958   -82975.06585810
  entropy T*S    EENTRO =        -0.10455261
  eigenvalues    EBANDS =     -6118.95710055
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1067.09025541 eV

  energy without entropy =    -1066.98570279  energy(sigma->0) =    -1067.05540454


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.4743: real time    0.4788
    SETDIJ:  cpu time    0.4366: real time    0.4390
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6035 -0.0000 -0.0000  0.0001  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0201
 -0.0000  0.5358 -0.0001 -0.0000 -0.0001     -0.0000  0.0000 -0.0000  0.0441 -0.0009
 -0.0000 -0.0001  0.6058  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0001 -0.0000  0.0000  0.5360 -0.0003      0.0000 -0.0441 -0.0000 -0.0000  0.0007
  0.0000 -0.0001 -0.0000 -0.0003  0.5442     -0.0201  0.0009  0.0000 -0.0007  0.0000
 
spin component  2
 
  0.0001  0.0099 -0.0000 -0.0000  0.0000      0.0001 -0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0022 -0.0000 -0.0002  0.0000     -0.0000  0.0014 -0.0172 -0.0002 -0.0488
 -0.0000  0.0000  0.0001 -0.0168  0.0000     -0.0000  0.0168  0.0001 -0.0000 -0.0000
  0.0000 -0.0002  0.0172  0.0017 -0.0476      0.0099 -0.0002 -0.0000  0.0017  0.0000
  0.0001  0.0000  0.0000  0.0491  0.0022     -0.0001  0.0505 -0.0000  0.0000  0.0020
 
spin component  3
 
  0.0001 -0.0099 -0.0000  0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0022  0.0000 -0.0002  0.0000      0.0000 -0.0014 -0.0168  0.0002 -0.0505
 -0.0000 -0.0000  0.0001  0.0172  0.0000      0.0000  0.0172 -0.0001  0.0000  0.0000
 -0.0000 -0.0002 -0.0168  0.0017  0.0491      0.0099  0.0002  0.0000 -0.0017 -0.0000
  0.0000  0.0000  0.0000 -0.0476  0.0022      0.0001  0.0488  0.0000 -0.0000 -0.0020
 
spin component  4
 
  0.6040  0.0001 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0203
  0.0001  0.5469 -0.0000 -0.0000  0.0001     -0.0000 -0.0000 -0.0000 -0.0477 -0.0009
 -0.0000 -0.0000  0.6062 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0001  0.5470  0.0003      0.0000  0.0477 -0.0000  0.0000  0.0007
 -0.0000  0.0001  0.0000  0.0003  0.5563      0.0203  0.0009 -0.0000 -0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4463  v = -0.0014 -0.3922  0.0015  0.4301  0.0234  0.0034  0.1192 -0.0004  0.0148 -0.3924      0.0000  0.4334  0.0002  0.3854  0.1281 -0.0037 -0.0298 -0.0008  0.1177 -0.3532
  o =  0.4501  v =  0.0027 -0.1011  0.0003  0.0695  0.0221  0.0017 -0.5617 -0.0013  0.0202 -0.0631      0.0000  0.0809 -0.0006  0.1113 -0.5712 -0.0013 -0.0237  0.0010 -0.5573 -0.0904
  o =  0.5657  v = -0.1029  0.4564  0.0036 -0.3965 -0.0000  0.0070 -0.0535 -0.3154 -0.0019 -0.0276      0.0000  0.3657  0.0064  0.4664  0.1356  0.0234 -0.0019  0.3819 -0.0683  0.0068
  o =  0.5732  v = -0.5677 -0.0169 -0.1084  0.0056  0.0011 -0.1169 -0.1961  0.0750  0.1024 -0.1503      0.0000 -0.1408  0.1043 -0.1351  0.5655  0.1396  0.1025 -0.0786 -0.3929 -0.1245
  o =  0.5751  v =  0.1917  0.0070 -0.4996 -0.0852  0.0033  0.0309  0.3276 -0.0093  0.4477 -0.1842      0.0000 -0.0645  0.2629  0.0402 -0.1817  0.1797  0.4486  0.0238 -0.1440  0.0312
  o =  0.5788  v =  0.1777  0.2257  0.1993 -0.1387 -0.0011 -0.5202  0.1374  0.0039 -0.1554 -0.3187      0.0000 -0.1474  0.0864 -0.1770 -0.1432  0.3704 -0.1565  0.0318  0.0013 -0.4467
  o =  0.6201  v = -0.1965 -0.2703  0.0069  0.2261  0.0001  0.0013  0.0489 -0.5217  0.0055  0.0209      0.0000 -0.2042  0.0120 -0.2704 -0.1121  0.0396  0.0055  0.6555  0.0579  0.0010
  o =  0.6234  v = -0.7024  0.0218 -0.1263 -0.0109  0.0000 -0.1610  0.1864  0.1270 -0.0662  0.1140      0.0000  0.1164  0.0945  0.1206 -0.4607  0.1730 -0.0658 -0.1419  0.2857  0.1033
  o =  0.6249  v =  0.1889 -0.0212 -0.6808  0.0775  0.0001 -0.0054 -0.2062 -0.0164 -0.3792  0.1606      0.0000  0.0613  0.2502 -0.0199  0.1344  0.2182 -0.3776  0.0416  0.0716  0.0060
  o =  0.6282  v =  0.1766 -0.2163  0.2288  0.1466  0.0009 -0.5151 -0.1293  0.0057  0.1469  0.3240      0.0000  0.1511  0.0886  0.1736  0.1473  0.3934  0.1476  0.0323 -0.0143  0.4234
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034  0.0000 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0000  0.0191
  0.0000  0.5351  0.0000 -0.0001  0.0001      0.0000 -0.0000  0.0000  0.0357  0.0009
 -0.0000  0.0000  0.6056 -0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5346  0.0003     -0.0000 -0.0357  0.0000  0.0000 -0.0001
  0.0000  0.0001  0.0000  0.0003  0.5433     -0.0191 -0.0009  0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0095  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095  0.0001
 -0.0095 -0.0022  0.0000 -0.0000 -0.0000     -0.0000 -0.0001 -0.0165  0.0003 -0.0386
 -0.0000  0.0000 -0.0001 -0.0162 -0.0000      0.0000  0.0162  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165 -0.0020 -0.0397      0.0095  0.0002  0.0000 -0.0002 -0.0000
  0.0000 -0.0000 -0.0000  0.0403 -0.0022      0.0001  0.0394  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0022  0.0000 -0.0000 -0.0000     -0.0000  0.0001 -0.0162 -0.0002 -0.0394
  0.0000  0.0000 -0.0001  0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0162 -0.0020  0.0403      0.0095 -0.0003  0.0000  0.0002  0.0000
 -0.0000 -0.0000 -0.0000 -0.0397 -0.0022     -0.0001  0.0386 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6038 -0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0001  0.0000 -0.0193
 -0.0001  0.5439 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0387  0.0009
 -0.0000 -0.0000  0.6061  0.0000 -0.0000     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.5437 -0.0003     -0.0000  0.0387  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000 -0.0003  0.5514      0.0193 -0.0009  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4630  v = -0.0009  0.5792  0.0002 -0.0563  0.0169 -0.0069  0.1187 -0.0001  0.0155  0.0509      0.0000 -0.0562  0.0014 -0.5833  0.1195  0.0006 -0.0176 -0.0004  0.1043  0.5247
  o =  0.4657  v =  0.0005  0.1125  0.0001  0.0037 -0.0105 -0.0024 -0.5594  0.0001 -0.0107 -0.0035      0.0000  0.0032  0.0012 -0.1304 -0.5679  0.0001  0.0100 -0.0018 -0.5694  0.1020
  o =  0.5591  v = -0.0781 -0.6424  0.0007  0.0644 -0.0009  0.0247 -0.0596  0.0459 -0.0013 -0.0038      0.0000 -0.0683 -0.0038 -0.6015  0.1288  0.0022 -0.0010 -0.4287 -0.0516  0.0347
  o =  0.5667  v =  0.3709  0.0343  0.0280  0.0028 -0.0008 -0.2044  0.6020  0.0053 -0.0323 -0.0082      0.0000 -0.0102  0.3022 -0.2094 -0.4716  0.0057 -0.0333 -0.0709 -0.1143 -0.2796
  o =  0.5683  v = -0.3607  0.0705  0.0399 -0.0025 -0.0007 -0.0269  0.2280 -0.0067 -0.0452  0.0094      0.0000  0.0121  0.3975  0.0534  0.4405 -0.0076 -0.0460  0.0553 -0.6683 -0.0395
  o =  0.5714  v = -0.1596  0.2797 -0.0278 -0.0219  0.0002 -0.5392 -0.2518 -0.0044  0.0285 -0.0403      0.0000 -0.0143 -0.1609 -0.2812  0.1767  0.0350  0.0288  0.0014  0.0802 -0.6274
  o =  0.6171  v =  0.3132 -0.3087  0.0026  0.0262 -0.0005 -0.1092 -0.0917 -0.0773  0.0014 -0.0002      0.0000 -0.0264  0.0436 -0.2550  0.1527 -0.0018  0.0013  0.8262 -0.0569  0.0542
  o =  0.6186  v =  0.7255  0.0726  0.0327 -0.0055 -0.0001 -0.2378 -0.2401  0.0270  0.0140  0.0102      0.0000  0.0148  0.1226  0.1865  0.3840  0.0199  0.0141 -0.3412 -0.1508  0.1216
  o =  0.6198  v = -0.2322 -0.1024  0.1434  0.0159 -0.0017 -0.3819 -0.2347 -0.0123  0.0622  0.0249      0.0000  0.0060  0.6999  0.0942 -0.1385  0.0435  0.0611 -0.0001  0.3694  0.2218
  o =  0.6210  v =  0.1496  0.1860  0.0556 -0.0068 -0.0010  0.6692 -0.2480  0.0014  0.0264 -0.0119      0.0000 -0.0044  0.4359 -0.1942  0.0927 -0.0195  0.0254  0.0112  0.1572 -0.4094
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0188
 -0.0000  0.5395 -0.0000 -0.0001 -0.0001      0.0000 -0.0000 -0.0000  0.0354 -0.0003
 -0.0001 -0.0000  0.6059 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5394 -0.0000      0.0000 -0.0354 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000 -0.0000  0.5478     -0.0188  0.0003  0.0000  0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0093  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0093 -0.0000
 -0.0093  0.0004  0.0000  0.0000  0.0000     -0.0000 -0.0001 -0.0159 -0.0000 -0.0352
 -0.0000  0.0000  0.0000 -0.0160  0.0000      0.0000  0.0161 -0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0159  0.0003 -0.0357      0.0093 -0.0000  0.0000 -0.0001  0.0000
 -0.0000  0.0000  0.0000  0.0353  0.0005     -0.0000  0.0349  0.0000  0.0000 -0.0001
 
spin component  3
 
  0.0000 -0.0093 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0093  0.0000
  0.0093  0.0004  0.0000  0.0000  0.0000     -0.0000  0.0001 -0.0161  0.0000 -0.0349
  0.0000  0.0000  0.0000  0.0159  0.0000     -0.0000  0.0159  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0160  0.0003  0.0353      0.0093  0.0000 -0.0000  0.0001 -0.0000
 -0.0000  0.0000  0.0000 -0.0357  0.0005      0.0000  0.0352  0.0000 -0.0000  0.0001
 
spin component  4
 
  0.6033 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0186
 -0.0000  0.5337 -0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0338 -0.0003
 -0.0001 -0.0000  0.6056 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5334 -0.0000      0.0000  0.0338 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0000 -0.0000  0.5421      0.0186  0.0003  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v = -0.0087 -0.0004  0.0001  0.0127 -0.0036  0.0000 -0.5967  0.0001 -0.0047 -0.0123      0.0000  0.0114  0.0004  0.0030 -0.5312  0.0000  0.0038  0.0001 -0.6010 -0.0007
  o =  0.4699  v =  0.0004  0.2347  0.0003  0.5350  0.0065 -0.0010  0.0110  0.0002  0.0047 -0.5180      0.0000  0.5318  0.0002 -0.2349  0.0091 -0.0022 -0.0075  0.0001  0.0112  0.2279
  o =  0.5570  v = -0.0095  0.0154  0.0910 -0.0005  0.0019 -0.0192 -0.6350 -0.0011 -0.1398 -0.0002      0.0000  0.0010 -0.4072 -0.0141  0.0148  0.0006 -0.1399  0.0001  0.6175 -0.0338
  o =  0.5627  v =  0.0629 -0.7031  0.0022  0.0573  0.0008  0.1958  0.0290  0.0496 -0.0024 -0.0179      0.0000 -0.0737 -0.0101 -0.4241 -0.0976  0.0112 -0.0036 -0.4214  0.0546  0.2845
  o =  0.5632  v = -0.0506  0.0578 -0.0102  0.2010  0.0008 -0.4212 -0.0124  0.0723  0.0139  0.2155      0.0000  0.0077  0.0168 -0.5339  0.0760 -0.1488  0.0141 -0.1807 -0.0562 -0.6122
  o =  0.5657  v =  0.5089  0.0967  0.0023  0.0135  0.0001 -0.0745  0.3059  0.0012 -0.0017  0.0250      0.0000  0.0101 -0.0076  0.0004 -0.7176 -0.0184 -0.0016  0.0395  0.3233 -0.1010
  o =  0.6162  v = -0.0504 -0.1367 -0.0783  0.0250  0.0023 -0.5230  0.2410 -0.0130 -0.0263  0.0406      0.0000  0.0146 -0.7136  0.1001 -0.0206  0.0871 -0.0245  0.0503 -0.2205  0.2423
  o =  0.6163  v =  0.0820  0.1380  0.3119  0.0707  0.0009  0.5817  0.1329  0.0283  0.1017  0.1662      0.0000  0.0925 -0.4592 -0.1297  0.0394  0.3545  0.1032 -0.0128 -0.1689 -0.2725
  o =  0.6174  v =  0.8094  0.0760 -0.0349 -0.0146  0.0001 -0.0937 -0.1849  0.0245 -0.0107 -0.0106      0.0000  0.0040 -0.0036  0.1226  0.4083 -0.0194 -0.0103 -0.2714 -0.1886  0.0488
  o =  0.6177  v =  0.2645 -0.3088 -0.0086  0.0259 -0.0004  0.0220 -0.0699 -0.0867 -0.0026 -0.0135      0.0000 -0.0389  0.0229 -0.3180  0.1359 -0.0297 -0.0034  0.8337 -0.0556 -0.0107
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039 -0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0192
 -0.0000  0.5416  0.0000 -0.0001  0.0002      0.0000  0.0000 -0.0000  0.0364 -0.0002
 -0.0000  0.0000  0.6065 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5420 -0.0001     -0.0000 -0.0364  0.0000 -0.0000 -0.0003
  0.0000  0.0002  0.0000 -0.0001  0.5494     -0.0192  0.0002 -0.0000  0.0003 -0.0000
 
spin component  2
 
  0.0000  0.0095  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0000
 -0.0094  0.0004  0.0000  0.0001 -0.0001      0.0000 -0.0005 -0.0161 -0.0000 -0.0388
 -0.0000  0.0000  0.0000 -0.0164  0.0000     -0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0161  0.0003 -0.0378      0.0095 -0.0000  0.0000 -0.0006 -0.0001
 -0.0000 -0.0001  0.0000  0.0369  0.0005     -0.0000  0.0377  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0094 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0095  0.0000
  0.0095  0.0004  0.0000  0.0001 -0.0001     -0.0000  0.0005 -0.0164  0.0000 -0.0377
  0.0000  0.0000  0.0000  0.0161  0.0000      0.0000  0.0161  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0164  0.0003  0.0369      0.0095  0.0000  0.0000  0.0006  0.0001
 -0.0000 -0.0001  0.0000 -0.0378  0.0005      0.0000  0.0388 -0.0000  0.0001  0.0006
 
spin component  4
 
  0.6033  0.0000  0.0000  0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0190
  0.0000  0.5308 -0.0000 -0.0000 -0.0001      0.0000 -0.0000 -0.0000 -0.0327 -0.0002
  0.0000 -0.0000  0.6059 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0000  0.5311  0.0001     -0.0000  0.0327  0.0000  0.0000 -0.0003
  0.0000 -0.0001  0.0000  0.0001  0.5404      0.0190  0.0002 -0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4639  v = -0.0077  0.0258  0.0001  0.0262  0.0052  0.0003 -0.6005  0.0003  0.0054 -0.0268      0.0000  0.0226 -0.0007 -0.0228 -0.5330  0.0004 -0.0066  0.0002 -0.5928  0.0262
  o =  0.4673  v =  0.0010  0.4214  0.0006  0.3873  0.0004  0.0013  0.0384 -0.0005 -0.0011 -0.3977      0.0000  0.3917  0.0002 -0.4167  0.0307  0.0010 -0.0039  0.0004  0.0369  0.4282
  o =  0.5538  v = -0.0133 -0.0107 -0.0442  0.0140 -0.0003  0.0131  0.6312  0.0005  0.0725  0.0311      0.0000  0.0131  0.3931  0.0095  0.0188 -0.0170  0.0720 -0.0003 -0.6569  0.0236
  o =  0.5643  v =  0.0742 -0.1565  0.0181 -0.5392 -0.0008  0.2196  0.0648 -0.2026 -0.0242 -0.5460      0.0000 -0.0239  0.0132  0.1483 -0.1072  0.4029 -0.0230 -0.0034  0.0306  0.2978
  o =  0.5651  v = -0.0517  0.4959  0.0021  0.1928 -0.0001 -0.0817 -0.0189  0.2674 -0.0041 -0.2760      0.0000 -0.4712  0.0095  0.3861  0.0744  0.2060 -0.0016  0.3549 -0.0419 -0.1120
  o =  0.5684  v =  0.5416  0.0711 -0.0039  0.0960  0.0001 -0.0444  0.3238  0.0618  0.0050  0.0534      0.0000 -0.0441  0.0143  0.0183 -0.6965 -0.0442  0.0050  0.0395  0.2913 -0.0542
  o =  0.6162  v = -0.0349  0.0192  0.0816 -0.0364 -0.0003  0.0790 -0.2661  0.0129  0.0254 -0.0625      0.0000 -0.0258  0.8988 -0.0176 -0.0139 -0.1361  0.0247 -0.0021  0.2815 -0.0370
  o =  0.6172  v =  0.0907  0.1407  0.1605  0.1678  0.0002  0.5825 -0.0318 -0.0525  0.0528  0.2928      0.0000  0.1301  0.0340 -0.1471  0.0430  0.6016  0.0524  0.0083 -0.0086 -0.2830
  o =  0.6190  v = -0.4702 -0.1743  0.0196 -0.1985 -0.0005  0.0268  0.1226  0.5519  0.0067  0.0437      0.0000  0.2403 -0.0185 -0.1897 -0.2557  0.0779  0.0062  0.4568  0.1099 -0.0138
  o =  0.6194  v =  0.6840 -0.1399 -0.0032 -0.1635 -0.0003 -0.0493 -0.1845  0.3802 -0.0012 -0.0150      0.0000  0.1484  0.0242 -0.1127  0.3808 -0.0267 -0.0017  0.3087 -0.1656  0.0284
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6056  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000  0.0200
  0.0000  0.5427 -0.0000 -0.0003  0.0001     -0.0000  0.0000  0.0000  0.0496 -0.0002
 -0.0000 -0.0000  0.6073  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5428 -0.0000     -0.0000 -0.0496  0.0000 -0.0000 -0.0001
 -0.0000  0.0001 -0.0000 -0.0000  0.5416     -0.0200  0.0002 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0101  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0100  0.0000
 -0.0100 -0.0006 -0.0000  0.0002 -0.0005      0.0000 -0.0000 -0.0170  0.0001 -0.0490
 -0.0000  0.0000 -0.0000 -0.0171 -0.0000      0.0000  0.0171  0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0171 -0.0008 -0.0490      0.0100 -0.0002 -0.0000 -0.0000 -0.0005
 -0.0000  0.0005  0.0000  0.0496 -0.0006      0.0000  0.0495 -0.0000  0.0005 -0.0000
 
spin component  3
 
 -0.0000 -0.0100 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0100 -0.0000
  0.0101 -0.0006  0.0000 -0.0001  0.0005     -0.0000  0.0000 -0.0171  0.0002 -0.0495
  0.0000 -0.0000 -0.0000  0.0171  0.0000     -0.0000  0.0170 -0.0000  0.0000  0.0000
  0.0000  0.0002 -0.0171 -0.0008  0.0496      0.0100 -0.0001 -0.0000  0.0000 -0.0005
  0.0000 -0.0005 -0.0000 -0.0490 -0.0006     -0.0000  0.0490 -0.0000  0.0005  0.0000
 
spin component  4
 
  0.6053  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0001 -0.0000 -0.0198
  0.0000  0.5393 -0.0000 -0.0003  0.0001      0.0000 -0.0000  0.0000 -0.0492  0.0001
 -0.0001 -0.0000  0.6070  0.0000 -0.0000     -0.0001 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5393  0.0002      0.0000  0.0492 -0.0000 -0.0000  0.0001
 -0.0000  0.0001 -0.0000  0.0002  0.5374      0.0198 -0.0001 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4418  v = -0.0002  0.1645 -0.0007  0.4897 -0.2419  0.0004  0.0340 -0.0002 -0.2394 -0.5091      0.0000  0.4905 -0.0001 -0.1592  0.0349  0.0015  0.2458  0.0004  0.0345  0.1681
  o =  0.4419  v =  0.0011 -0.2392 -0.0007  0.0150 -0.0558 -0.0007  0.5219 -0.0004 -0.0537 -0.0173      0.0000  0.0187 -0.0002  0.2439  0.5127 -0.0001  0.0596  0.0003  0.5248 -0.2494
  o =  0.5711  v = -0.1509 -0.2945 -0.0797  0.2013  0.0011  0.4412 -0.2689  0.0355  0.0833  0.3153      0.0000  0.1261 -0.1706  0.2235  0.1754 -0.2785  0.0829 -0.0347  0.0950  0.4986
  o =  0.5718  v = -0.4683  0.0201 -0.2493 -0.0713 -0.0011 -0.0411 -0.0911  0.0224  0.2589 -0.1781      0.0000 -0.1176  0.1644 -0.0224  0.5297  0.1608  0.2593 -0.0003 -0.4319 -0.0473
  o =  0.5724  v =  0.3205 -0.0701 -0.4105 -0.0562  0.0001  0.1644  0.3377  0.0034  0.4204 -0.1081      0.0000 -0.0618  0.1596  0.1146 -0.3585  0.1006  0.4216  0.0224  0.0084  0.1782
  o =  0.5745  v =  0.0370 -0.3389 -0.0039  0.4215 -0.0013 -0.0447  0.0149  0.4545  0.0028 -0.0269      0.0000 -0.4451 -0.0064 -0.3861 -0.0372  0.0254  0.0052 -0.3798  0.0258 -0.0494
  o =  0.6228  v =  0.1401 -0.2502  0.0260  0.1264 -0.0014 -0.7225 -0.0925 -0.0682  0.0131  0.1807      0.0000  0.0602  0.1174  0.1805  0.0796  0.3132  0.0118  0.0679  0.0133  0.4168
  o =  0.6234  v =  0.7530  0.0161  0.2481 -0.0160 -0.0006  0.1046 -0.1766 -0.0243  0.1172 -0.0520      0.0000 -0.0386 -0.0947 -0.0473  0.4489 -0.0880  0.1169  0.0318 -0.2666 -0.0642
  o =  0.6239  v = -0.2516 -0.0177  0.7415 -0.0390 -0.0010 -0.0927  0.1777  0.0245  0.3606 -0.0470      0.0000 -0.0132 -0.2138  0.0426 -0.1536 -0.0787  0.3600 -0.0255 -0.0294  0.0584
  o =  0.6250  v =  0.0628  0.2990 -0.0155 -0.2545  0.0012 -0.0717 -0.0307  0.5098 -0.0068  0.0275      0.0000  0.2801  0.0216  0.3420  0.0389  0.0419 -0.0076 -0.6113 -0.0103  0.0438
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0199
 -0.0000  0.5404  0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0001  0.0492  0.0001
 -0.0001  0.0000  0.6072 -0.0000 -0.0001      0.0000 -0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5403 -0.0003     -0.0000 -0.0492 -0.0000  0.0000  0.0001
 -0.0000 -0.0000 -0.0001 -0.0003  0.5386     -0.0199 -0.0001  0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0100 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0100  0.0000
 -0.0100 -0.0009 -0.0000 -0.0001 -0.0004     -0.0000  0.0004 -0.0170 -0.0003 -0.0493
 -0.0000 -0.0000 -0.0001 -0.0170  0.0000     -0.0000  0.0170  0.0000  0.0000 -0.0000
 -0.0000  0.0002  0.0170 -0.0012 -0.0493      0.0100  0.0000 -0.0000  0.0004 -0.0004
  0.0000  0.0005  0.0000  0.0491 -0.0008      0.0000  0.0492  0.0000  0.0005  0.0003
 
spin component  3
 
 -0.0001 -0.0100 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0100 -0.0000
  0.0100 -0.0009 -0.0000  0.0002  0.0005      0.0000 -0.0004 -0.0170 -0.0000 -0.0492
 -0.0000 -0.0000 -0.0001  0.0170  0.0000      0.0000  0.0170 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0170 -0.0012  0.0491      0.0100  0.0003 -0.0000 -0.0004 -0.0005
 -0.0000 -0.0004  0.0000 -0.0493 -0.0008     -0.0000  0.0493  0.0000  0.0004 -0.0003
 
spin component  4
 
  0.6058 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0200
 -0.0000  0.5413  0.0000 -0.0002 -0.0002      0.0000  0.0000  0.0000 -0.0494 -0.0002
 -0.0001  0.0000  0.6073  0.0000 -0.0001      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5413  0.0000     -0.0000  0.0494 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0002 -0.0001  0.0000  0.5399      0.0200  0.0002 -0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4417  v =  0.0007 -0.0172  0.0006 -0.0638  0.0683 -0.0006 -0.5657 -0.0001  0.0640  0.0647      0.0000 -0.0613 -0.0000  0.0064 -0.5764 -0.0002 -0.0701 -0.0009 -0.5669 -0.0171
  o =  0.4419  v = -0.0002  0.5620 -0.0002  0.1189 -0.0559  0.0001 -0.0302  0.0006 -0.0535 -0.1170      0.0000  0.1136  0.0005 -0.5607 -0.0317  0.0001  0.0579  0.0003 -0.0369  0.5625
  o =  0.5711  v = -0.4959 -0.2347 -0.0498 -0.0915  0.0004  0.2556 -0.3178 -0.0331  0.0515 -0.1095      0.0000 -0.0195 -0.0241  0.0649  0.5699  0.0953  0.0510 -0.0783 -0.2649  0.2969
  o =  0.5716  v = -0.2263  0.1103 -0.0385 -0.0966  0.0002 -0.4648 -0.0677 -0.1612  0.0400  0.1413      0.0000  0.2393  0.0558 -0.4203  0.2586 -0.1241  0.0388 -0.1497 -0.1861 -0.5290
  o =  0.5730  v = -0.1732  0.4874 -0.1015  0.3533 -0.0019 -0.1373 -0.0359  0.3118  0.1004  0.0844      0.0000 -0.2753  0.0631  0.3398  0.1841 -0.0740  0.1027  0.4101 -0.1605 -0.1536
  o =  0.5736  v = -0.0967  0.0891  0.5496  0.0731  0.0013 -0.0271 -0.1696  0.0254 -0.5429  0.0924      0.0000  0.0259 -0.1194  0.0565  0.1064 -0.0886 -0.5423  0.0732  0.0658 -0.0285
  o =  0.6230  v =  0.7672 -0.0993  0.1184 -0.0658  0.0000 -0.1971 -0.2512  0.0959  0.0584 -0.0403      0.0000  0.0241  0.0545  0.0119  0.4408 -0.0728  0.0578  0.0976 -0.1969  0.1099
  o =  0.6233  v = -0.1549 -0.1764 -0.0555  0.0845  0.0001 -0.7367  0.0028 -0.2511 -0.0291 -0.0723      0.0000 -0.1571  0.0915  0.2546 -0.0943 -0.1244 -0.0275 -0.0837  0.0884  0.4300
  o =  0.6242  v =  0.2035  0.2506 -0.1063  0.3444  0.0003  0.1779  0.0043 -0.6245 -0.0574  0.0711      0.0000 -0.2743 -0.1374  0.1465  0.1241  0.1167 -0.0529 -0.3989 -0.1334 -0.1075
  o =  0.6245  v =  0.0974 -0.0043 -0.7766 -0.0557 -0.0011 -0.0405 -0.0298  0.1866 -0.3920  0.0663      0.0000  0.1268  0.0037  0.0184  0.0588  0.1094 -0.3944 -0.0134 -0.0266  0.0252
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5970 -0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0001  0.0201
 -0.0001  0.5446  0.0001 -0.0002  0.0002      0.0000  0.0000 -0.0001  0.0414 -0.0008
 -0.0001  0.0001  0.6004  0.0001  0.0000      0.0001  0.0001 -0.0000 -0.0000  0.0000
  0.0000 -0.0002  0.0001  0.5447 -0.0002      0.0001 -0.0414  0.0000 -0.0000 -0.0000
 -0.0000  0.0002  0.0000 -0.0002  0.5527     -0.0201  0.0008 -0.0000  0.0000 -0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0036 -0.0000  0.0000  0.0002     -0.0000 -0.0004 -0.0167  0.0000 -0.0479
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167  0.0033 -0.0477      0.0099 -0.0004  0.0000 -0.0004  0.0002
 -0.0000 -0.0001  0.0000  0.0482  0.0043     -0.0001  0.0480 -0.0000 -0.0001 -0.0005
 
spin component  3
 
  0.0002 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0036  0.0000 -0.0000 -0.0001     -0.0000  0.0004 -0.0166  0.0004 -0.0480
  0.0000 -0.0000  0.0002  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0166  0.0033  0.0482      0.0099 -0.0000  0.0000  0.0004  0.0001
 -0.0000  0.0002  0.0001 -0.0477  0.0043      0.0001  0.0479 -0.0000 -0.0002  0.0005
 
spin component  4
 
  0.5970  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0001 -0.0000 -0.0200
  0.0001  0.5464  0.0000 -0.0003  0.0001     -0.0000 -0.0000 -0.0001 -0.0418 -0.0003
 -0.0001  0.0000  0.6005 -0.0000  0.0000      0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5463  0.0002      0.0000  0.0418  0.0000  0.0000 -0.0001
 -0.0000  0.0001  0.0000  0.0002  0.5549      0.0200  0.0003  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4550  v =  0.0018  0.4496  0.0003  0.0655  0.0071  0.0008 -0.3742  0.0003  0.0045 -0.0635      0.0000  0.0631 -0.0019 -0.4317 -0.3738  0.0000 -0.0108  0.0017 -0.3538  0.4405
  o =  0.4580  v = -0.0001 -0.3604 -0.0003 -0.0441 -0.0010  0.0023 -0.4400  0.0003  0.0003  0.0431      0.0000 -0.0459  0.0017  0.3833 -0.4386  0.0001  0.0033  0.0025 -0.4570 -0.3500
  o =  0.5683  v =  0.1622 -0.5676 -0.0079 -0.0879 -0.0019  0.0459  0.1112 -0.0871  0.0104 -0.0073      0.0000  0.0814  0.0478 -0.5177 -0.1674  0.0046  0.0102 -0.5598  0.0271  0.0482
  o =  0.5697  v = -0.0312 -0.0149  0.3778  0.0442  0.0048 -0.1111 -0.4367  0.0157 -0.3491  0.0739      0.0000  0.0125 -0.4548 -0.1012  0.0276 -0.0744 -0.3483 -0.0607  0.4029 -0.1125
  o =  0.5735  v =  0.5460 -0.0483  0.0391  0.0027  0.0010  0.4146  0.1312  0.0256 -0.0296 -0.0304      0.0000 -0.0357 -0.1118  0.2867 -0.4248  0.0392 -0.0286  0.1522  0.3119  0.3274
  o =  0.5760  v = -0.4570 -0.2549  0.0066 -0.0299 -0.0002  0.5935 -0.2171 -0.0090 -0.0067 -0.0447      0.0000 -0.0119 -0.0900  0.1475  0.3186  0.0631 -0.0062 -0.0710 -0.0902  0.4184
  o =  0.6175  v = -0.1839 -0.4142  0.0117 -0.0401  0.0004 -0.0774  0.1529  0.0737  0.0054 -0.0049      0.0000  0.0350 -0.1714 -0.3652 -0.1334 -0.0107  0.0059  0.7565 -0.0348  0.0510
  o =  0.6185  v =  0.0348 -0.0090 -0.7510  0.1435  0.0004  0.0107  0.0370 -0.1923 -0.4031  0.1078      0.0000 -0.0541 -0.0884 -0.0168  0.0224  0.1374 -0.4089  0.0200 -0.0590 -0.0082
  o =  0.6222  v = -0.5194 -0.0752 -0.0507  0.0034  0.0002 -0.4200  0.1433 -0.0276 -0.0335 -0.0265      0.0000 -0.0322  0.1228  0.2810 -0.4322 -0.0322 -0.0336 -0.1569  0.3000  0.3519
  o =  0.6257  v =  0.4011 -0.2849 -0.0083 -0.0256 -0.0000 -0.4956 -0.2508  0.0060 -0.0047 -0.0466      0.0000 -0.0181  0.0831  0.1790  0.3899 -0.0477 -0.0046  0.0754 -0.1278  0.4804
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5969 -0.0000 -0.0002 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0200
 -0.0000  0.5441  0.0000 -0.0002 -0.0001     -0.0000 -0.0000  0.0000  0.0414  0.0001
 -0.0002  0.0000  0.6003 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5440  0.0000     -0.0000 -0.0414  0.0000  0.0000 -0.0001
 -0.0000 -0.0001 -0.0000  0.0000  0.5516     -0.0200 -0.0001 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0002 -0.0000 -0.0000  0.0001     -0.0000 -0.0003 -0.0167 -0.0003 -0.0478
  0.0000  0.0000 -0.0000 -0.0166 -0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0167  0.0001 -0.0478      0.0099  0.0001  0.0000 -0.0004  0.0001
 -0.0000 -0.0001  0.0000  0.0482  0.0004     -0.0000  0.0483  0.0000 -0.0001 -0.0005
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0002  0.0000  0.0000 -0.0001     -0.0000  0.0003 -0.0166 -0.0001 -0.0483
  0.0000 -0.0000 -0.0000  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0166  0.0001  0.0482      0.0099  0.0003  0.0000  0.0004  0.0001
 -0.0000  0.0001 -0.0000 -0.0478  0.0004      0.0000  0.0478 -0.0000 -0.0001  0.0005
 
spin component  4
 
  0.5971 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0201
 -0.0000  0.5473  0.0000 -0.0003 -0.0001      0.0000  0.0000  0.0000 -0.0419 -0.0004
 -0.0001  0.0000  0.6004 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5473  0.0000     -0.0000  0.0419 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0000  0.5558      0.0201  0.0004  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4560  v = -0.0008 -0.5302 -0.0003 -0.2244  0.0494  0.0011  0.0827 -0.0001  0.0506  0.2167      0.0000 -0.2230  0.0002  0.5301  0.0860  0.0004 -0.0474 -0.0001  0.0827 -0.5123
  o =  0.4571  v =  0.0018 -0.0522 -0.0000 -0.0823  0.0450 -0.0001 -0.5651  0.0004  0.0443  0.0787      0.0000 -0.0854 -0.0001  0.0520 -0.5716  0.0006 -0.0452 -0.0001 -0.5653 -0.0512
  o =  0.5683  v =  0.0135  0.2745 -0.0053 -0.4996 -0.0001  0.0060  0.0082 -0.5142  0.0041 -0.0012      0.0000  0.4978  0.0031  0.2825 -0.0146  0.0036  0.0054  0.2870  0.0033  0.0093
  o =  0.5705  v =  0.0156 -0.0132 -0.6107 -0.0062 -0.0016  0.0308  0.1016  0.0071  0.5458 -0.0258      0.0000 -0.0178  0.1041  0.0106 -0.0182  0.0285  0.5445 -0.0011 -0.0843  0.0278
  o =  0.5740  v =  0.7142 -0.0510  0.0279 -0.0185  0.0001  0.1209  0.2732  0.0136 -0.0177 -0.0593      0.0000 -0.0394 -0.0053  0.0397 -0.5447  0.0754 -0.0181 -0.0076  0.2807  0.0911
  o =  0.5752  v = -0.1465 -0.2201  0.0346 -0.1376 -0.0002  0.6133 -0.0643  0.0074 -0.0254 -0.2918      0.0000 -0.1432 -0.0137  0.2167  0.1071  0.3952 -0.0285  0.0021 -0.0436  0.4537
  o =  0.6175  v =  0.0187 -0.2369 -0.0238  0.3401  0.0012  0.0122 -0.0075 -0.6602 -0.0130 -0.0005      0.0000 -0.3404  0.0032 -0.2424  0.0137 -0.0042 -0.0127  0.4648 -0.0048 -0.0063
  o =  0.6189  v = -0.0250 -0.0184  0.7615  0.0019  0.0008 -0.0288  0.1074 -0.0194  0.4259 -0.0167      0.0000 -0.0180 -0.1784  0.0016 -0.0155 -0.0226  0.4272  0.0162 -0.0925  0.0225
  o =  0.6228  v =  0.6688  0.0551  0.0275  0.0251 -0.0006  0.1137 -0.2879  0.0160  0.0210  0.0737      0.0000  0.0469 -0.0081 -0.0439  0.5798  0.0849  0.0208 -0.0086 -0.2968 -0.1004
  o =  0.6245  v =  0.1406 -0.2314 -0.0294 -0.1656  0.0022 -0.5270 -0.0692 -0.0046 -0.0200 -0.3529      0.0000 -0.1760  0.0070  0.2395  0.1268 -0.3823 -0.0197 -0.0045 -0.0579  0.4864
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058  0.0000  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0200
  0.0000  0.5425 -0.0000  0.0002  0.0001     -0.0000  0.0000  0.0000  0.0496  0.0001
  0.0000 -0.0000  0.6074  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0002  0.0000  0.5426 -0.0002      0.0000 -0.0496  0.0000 -0.0000 -0.0001
  0.0000  0.0001 -0.0000 -0.0002  0.5413     -0.0200 -0.0001 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0100  0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0100  0.0000
 -0.0100 -0.0006 -0.0000  0.0002  0.0004     -0.0000  0.0001 -0.0170 -0.0002 -0.0490
  0.0000  0.0000 -0.0000 -0.0170  0.0000     -0.0000  0.0170 -0.0000 -0.0000  0.0000
  0.0000 -0.0002  0.0170 -0.0008 -0.0488      0.0100  0.0000  0.0000 -0.0000  0.0004
 -0.0000 -0.0005 -0.0000  0.0496 -0.0005      0.0000  0.0495 -0.0000 -0.0004  0.0000
 
spin component  3
 
 -0.0000 -0.0100  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0100 -0.0000
  0.0100 -0.0006  0.0000 -0.0002 -0.0005     -0.0000 -0.0001 -0.0170 -0.0000 -0.0495
  0.0000 -0.0000 -0.0000  0.0170 -0.0000      0.0000  0.0170  0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0170 -0.0008  0.0496      0.0100  0.0002  0.0000  0.0000  0.0004
  0.0000  0.0004  0.0000 -0.0488 -0.0005     -0.0000  0.0490 -0.0000 -0.0004 -0.0000
 
spin component  4
 
  0.6055  0.0000  0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0198
  0.0000  0.5390 -0.0000  0.0002  0.0001      0.0000 -0.0000 -0.0000 -0.0492 -0.0002
  0.0000 -0.0000  0.6071  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0002  0.0000  0.5390  0.0000     -0.0000  0.0492  0.0000  0.0000  0.0001
  0.0000  0.0001 -0.0000  0.0000  0.5370      0.0198  0.0002 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4415  v = -0.0003  0.4425 -0.0005  0.3307 -0.0890  0.0014 -0.0913 -0.0006 -0.0879 -0.3465      0.0000  0.3354  0.0005 -0.4468 -0.0909  0.0011  0.0922 -0.0004 -0.0958  0.4613
  o =  0.4417  v =  0.0009  0.0075  0.0003  0.1267 -0.0614  0.0004  0.5631  0.0000 -0.0641 -0.1324      0.0000  0.1273  0.0001 -0.0020  0.5527  0.0003  0.0605  0.0005  0.5621  0.0091
  o =  0.5710  v =  0.1917  0.3353 -0.1381  0.1109  0.0000 -0.5029  0.1400  0.0290  0.1478  0.1556      0.0000  0.0503  0.0255 -0.2626 -0.2232 -0.1360  0.1491  0.0345  0.0843 -0.5737
  o =  0.5717  v = -0.4619  0.0849  0.1966  0.1141  0.0001 -0.1950 -0.0848  0.0438 -0.2073  0.1315      0.0000  0.0248  0.1666 -0.1398  0.5284 -0.1188 -0.2069 -0.0262 -0.4336 -0.2182
  o =  0.5721  v =  0.2940  0.0224  0.4102  0.0327 -0.0001  0.0279  0.4167 -0.0171 -0.4246  0.0936      0.0000  0.0700  0.2459  0.0558 -0.3333 -0.0865 -0.4262  0.0380 -0.0948  0.0305
  o =  0.5744  v = -0.0681  0.4844  0.0007 -0.3315  0.0017 -0.0234 -0.0430 -0.3190  0.0010 -0.0527      0.0000  0.2814 -0.0063  0.4615  0.0690  0.0496 -0.0018  0.4929 -0.0305 -0.0247
  o =  0.6227  v =  0.1337 -0.2531 -0.1041 -0.0763  0.0001 -0.7785 -0.0497  0.0604 -0.0466 -0.0927      0.0000 -0.0194  0.0261  0.2065  0.0741 -0.1621 -0.0472  0.0485 -0.0263  0.4446
  o =  0.6233  v =  0.7467  0.0159 -0.2520  0.0584  0.0004  0.1391 -0.1718 -0.0828 -0.1190  0.0341      0.0000 -0.0227 -0.0956 -0.0699  0.4400  0.0583 -0.1183  0.0579 -0.2617 -0.0836
  o =  0.6238  v =  0.2723 -0.0235  0.7357 -0.0153 -0.0005 -0.0259 -0.1969 -0.0065  0.3539 -0.0333      0.0000 -0.0218  0.2437 -0.0084  0.1645 -0.0558  0.3538  0.0328  0.0375  0.0151
  o =  0.6249  v = -0.0965 -0.3090  0.0149  0.3101 -0.0002 -0.0398  0.0357 -0.5542  0.0048  0.0431      0.0000 -0.2677 -0.0094 -0.2846 -0.0601  0.0689  0.0076  0.5696  0.0263  0.0254
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0198
 -0.0000  0.5400  0.0000  0.0003  0.0000      0.0000 -0.0000  0.0000  0.0491 -0.0002
 -0.0000  0.0000  0.6074 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0000
  0.0000  0.0003 -0.0000  0.5400 -0.0001     -0.0000 -0.0491 -0.0000  0.0000  0.0002
 -0.0000  0.0000 -0.0000 -0.0001  0.5383     -0.0198  0.0002  0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0000  0.0100 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0100  0.0000
 -0.0100 -0.0009  0.0000 -0.0001  0.0004     -0.0000  0.0004 -0.0170  0.0000 -0.0492
  0.0000  0.0000 -0.0001 -0.0170  0.0000      0.0000  0.0170  0.0000 -0.0000 -0.0000
  0.0000  0.0002  0.0170 -0.0011 -0.0493      0.0100 -0.0003  0.0000  0.0003  0.0004
  0.0000 -0.0004  0.0000  0.0490 -0.0008      0.0000  0.0492  0.0000 -0.0005  0.0003
 
spin component  3
 
 -0.0000 -0.0100  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0100 -0.0000
  0.0100 -0.0009  0.0000  0.0002 -0.0004     -0.0000 -0.0004 -0.0170  0.0003 -0.0492
 -0.0000  0.0000 -0.0001  0.0170  0.0000      0.0000  0.0170 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0170 -0.0011  0.0490      0.0100 -0.0000  0.0000 -0.0003  0.0005
 -0.0000  0.0004  0.0000 -0.0493 -0.0008     -0.0000  0.0492  0.0000 -0.0004 -0.0003
 
spin component  4
 
  0.6058  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0199
  0.0000  0.5410  0.0000  0.0002 -0.0002     -0.0000 -0.0000  0.0000 -0.0494  0.0001
 -0.0000  0.0000  0.6075  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0002  0.0000  0.5410  0.0003     -0.0000  0.0494 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0002 -0.0000  0.0003  0.5396      0.0199 -0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4414  v = -0.0008  0.0358  0.0006 -0.0691 -0.0557  0.0001  0.5666  0.0001 -0.0581  0.0687      0.0000 -0.0713  0.0001 -0.0268  0.5764  0.0002  0.0525  0.0007  0.5656  0.0334
  o =  0.4417  v =  0.0003 -0.5587  0.0003 -0.1158 -0.0769 -0.0002  0.0072  0.0004 -0.0781  0.1183      0.0000 -0.1204 -0.0007  0.5598  0.0061 -0.0001  0.0734  0.0001  0.0155 -0.5611
  o =  0.5708  v =  0.4368  0.2573 -0.0593  0.1991  0.0001 -0.2905  0.3154  0.0910  0.0637  0.1979      0.0000  0.0001  0.0516 -0.0881 -0.5087 -0.1689  0.0640  0.0779  0.2036 -0.3395
  o =  0.5717  v =  0.3505 -0.1544 -0.0024 -0.1569  0.0008  0.3741  0.1186 -0.0091  0.0021 -0.2936      0.0000 -0.1368 -0.0782  0.2698 -0.3976  0.2574  0.0031  0.0551  0.2832  0.4280
  o =  0.5727  v =  0.1206 -0.4548 -0.0634 -0.2931 -0.0001 -0.0128  0.0624 -0.3148  0.0658  0.0645      0.0000  0.3515 -0.0098 -0.4685 -0.1302 -0.0576  0.0639 -0.4505  0.0800 -0.0153
  o =  0.5735  v =  0.0681 -0.0504  0.5573  0.0317 -0.0001  0.0367  0.1135 -0.0286 -0.5556  0.1115      0.0000  0.0904  0.0783 -0.0128 -0.0737 -0.1069 -0.5564 -0.0312 -0.0425  0.0392
  o =  0.6227  v =  0.7191 -0.1393 -0.0633 -0.0967 -0.0000 -0.3115 -0.2320  0.1072 -0.0276 -0.0964      0.0000 -0.0008  0.0542  0.0385  0.4086 -0.1727 -0.0276  0.1087 -0.1832  0.1741
  o =  0.6232  v = -0.3651 -0.1781 -0.0045 -0.1281  0.0007 -0.6148  0.0649  0.0427 -0.0026 -0.2175      0.0000 -0.0897  0.0955  0.1792 -0.2155 -0.3736 -0.0020 -0.0026  0.1523  0.3587
  o =  0.6241  v = -0.1012 -0.2947  0.2195 -0.1989  0.0004  0.0653 -0.0028  0.4358  0.1097  0.0319      0.0000  0.2266  0.0707 -0.3337 -0.0594  0.0501  0.1095  0.6449  0.0688 -0.0397
  o =  0.6245  v = -0.0810 -0.0689 -0.7717 -0.0468  0.0002 -0.0118  0.0483  0.1738 -0.3863  0.0704      0.0000  0.1225 -0.0463 -0.0619 -0.0510  0.1152 -0.3869  0.1325  0.0025  0.0080
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5972 -0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0200
 -0.0001  0.5459  0.0000 -0.0001  0.0001      0.0000  0.0000 -0.0001  0.0417  0.0001
 -0.0001  0.0000  0.6000  0.0000 -0.0000      0.0000  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5458 -0.0001     -0.0000 -0.0417 -0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0000 -0.0001  0.5526     -0.0200 -0.0001  0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0029  0.0000  0.0001 -0.0000     -0.0000 -0.0003 -0.0167 -0.0004 -0.0481
 -0.0000 -0.0000  0.0002 -0.0166  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0167  0.0026 -0.0482      0.0099  0.0000 -0.0000 -0.0003 -0.0000
 -0.0000 -0.0001  0.0001  0.0484  0.0035     -0.0001  0.0485 -0.0000 -0.0001 -0.0004
 
spin component  3
 
  0.0001 -0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0029 -0.0000  0.0000 -0.0001      0.0000  0.0003 -0.0166 -0.0000 -0.0485
  0.0000  0.0000  0.0002  0.0167  0.0001      0.0000  0.0167  0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0166  0.0026  0.0484      0.0099  0.0004  0.0000  0.0003  0.0001
 -0.0000 -0.0000  0.0000 -0.0482  0.0035      0.0001  0.0481 -0.0000  0.0000  0.0004
 
spin component  4
 
  0.5973  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5476  0.0000  0.0001  0.0001     -0.0000 -0.0000 -0.0001 -0.0420 -0.0004
 -0.0001  0.0000  0.6000 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0001  0.5479  0.0001      0.0000  0.0420  0.0000  0.0000 -0.0000
 -0.0000  0.0001 -0.0000  0.0001  0.5547      0.0201  0.0004  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4553  v =  0.0026  0.4539  0.0005  0.0807  0.0146  0.0008 -0.3602  0.0002  0.0116 -0.0798      0.0000  0.0800 -0.0019 -0.4400 -0.3657  0.0001 -0.0169  0.0013 -0.3418  0.4473
  o =  0.4582  v = -0.0003  0.2937  0.0010  0.1998 -0.1927 -0.0010  0.4066  0.0005 -0.1993 -0.1897      0.0000  0.1940 -0.0011 -0.3113  0.4081 -0.0005  0.1893 -0.0018  0.4178  0.2901
  o =  0.5694  v = -0.0959  0.5450 -0.0017  0.1458  0.0022 -0.0172 -0.0654  0.1542  0.0003  0.0066      0.0000 -0.1384 -0.0321  0.5264  0.0970 -0.0049 -0.0012  0.5805 -0.0090 -0.0172
  o =  0.5705  v = -0.0478  0.0204 -0.0864 -0.0236  0.0018 -0.1405 -0.5541 -0.0166  0.0746 -0.0250      0.0000  0.0056 -0.6015 -0.0899  0.0414  0.0240  0.0781 -0.0364  0.5080 -0.1354
  o =  0.5741  v =  0.5817 -0.0973  0.0083 -0.0006  0.0007  0.3951  0.1350  0.0246 -0.0055 -0.0359      0.0000 -0.0364 -0.1263  0.2208 -0.4471  0.0458 -0.0046  0.0817  0.3284  0.3053
  o =  0.5761  v = -0.4363 -0.2438  0.0196 -0.0286 -0.0004  0.6071 -0.2140 -0.0059 -0.0150 -0.0470      0.0000 -0.0166 -0.0914  0.1752  0.3044  0.0672 -0.0147 -0.0466 -0.0864  0.4310
  o =  0.6180  v =  0.1058  0.4262  0.0165  0.0630  0.0009  0.0400 -0.1137 -0.1180  0.0096 -0.0020      0.0000 -0.0637  0.1395  0.4002  0.0796  0.0019  0.0099 -0.7624  0.0470 -0.0275
  o =  0.6189  v = -0.0300  0.0371 -0.0334  0.0125  0.0029 -0.1402  0.4368 -0.0127 -0.0202  0.0110      0.0000 -0.0041 -0.7499  0.1296 -0.0204  0.0136 -0.0180 -0.1544 -0.4120  0.1081
  o =  0.6229  v =  0.5452  0.1169  0.0099  0.0134 -0.0003  0.3972 -0.1550  0.0130  0.0086  0.0461      0.0000  0.0336 -0.1217 -0.2259  0.4629  0.0541  0.0081  0.0816 -0.3185 -0.3352
  o =  0.6257  v = -0.3878  0.2716  0.0225  0.0335  0.0005  0.5113  0.2422 -0.0054  0.0158  0.0634      0.0000  0.0280 -0.0797 -0.2060 -0.3710  0.0670  0.0155 -0.0453  0.1238 -0.4904
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5971 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0200
 -0.0000  0.5457 -0.0000 -0.0001 -0.0001     -0.0000 -0.0000  0.0000  0.0418 -0.0005
 -0.0001 -0.0000  0.6001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5458 -0.0001      0.0000 -0.0418 -0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0000 -0.0001  0.5520     -0.0200  0.0005 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0000  0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0003  0.0000 -0.0000  0.0000      0.0000 -0.0001 -0.0167  0.0001 -0.0482
 -0.0000 -0.0000  0.0000 -0.0166  0.0000     -0.0000  0.0166 -0.0000  0.0000  0.0000
  0.0000  0.0000  0.0167  0.0004 -0.0480      0.0099 -0.0003 -0.0000 -0.0002  0.0000
 -0.0000 -0.0001 -0.0000  0.0486  0.0006     -0.0000  0.0484  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0000 -0.0099 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0003 -0.0000  0.0000 -0.0001     -0.0000  0.0001 -0.0166  0.0003 -0.0484
 -0.0000  0.0000  0.0000  0.0167 -0.0000      0.0000  0.0167  0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0166  0.0004  0.0486      0.0099 -0.0001 -0.0000  0.0002  0.0000
 -0.0000  0.0000  0.0000 -0.0480  0.0006      0.0000  0.0482 -0.0000 -0.0000  0.0001
 
spin component  4
 
  0.5973  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0201
  0.0000  0.5480 -0.0000  0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0418  0.0000
 -0.0001 -0.0000  0.6001  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5477  0.0000     -0.0000  0.0418 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0000  0.5553      0.0201 -0.0000  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4563  v =  0.0004  0.5178  0.0003  0.2372  0.0034 -0.0001 -0.1142  0.0001  0.0025 -0.2326      0.0000  0.2369  0.0001 -0.5173 -0.1160  0.0000 -0.0037  0.0001 -0.1136  0.5082
  o =  0.4572  v = -0.0021  0.1068  0.0001  0.0431  0.0094 -0.0004  0.5627 -0.0002  0.0089 -0.0417      0.0000  0.0444 -0.0001 -0.1092  0.5717 -0.0002 -0.0095 -0.0003  0.5630  0.1026
  o =  0.5695  v =  0.0445 -0.5623  0.0151  0.0032  0.0016  0.0070 -0.0038  0.0043 -0.0136 -0.0016      0.0000 -0.0047 -0.0249 -0.5553 -0.0424 -0.0008 -0.0135 -0.6069  0.0444  0.0070
  o =  0.5707  v = -0.0137 -0.0329 -0.4311  0.0090 -0.0025  0.0154  0.3934  0.0081  0.3807  0.0056      0.0000 -0.0036  0.4530 -0.0209  0.0106 -0.0068  0.3779 -0.0299 -0.4038  0.0139
  o =  0.5745  v =  0.7092 -0.0305 -0.0025 -0.0086 -0.0002  0.1746  0.2809  0.0005  0.0051 -0.0174      0.0000 -0.0084  0.0118  0.1008 -0.5339  0.0231  0.0048  0.0457  0.2652  0.1337
  o =  0.5755  v =  0.1794  0.2602 -0.0173  0.0364  0.0001 -0.7183  0.0706 -0.0006  0.0128  0.0704      0.0000  0.0327  0.0066 -0.2548 -0.1313 -0.0963  0.0138  0.0026  0.0597 -0.5254
  o =  0.6182  v =  0.0436  0.4308 -0.0110  0.0267 -0.0006  0.0070  0.0009 -0.0504 -0.0057 -0.0013      0.0000 -0.0279 -0.0302  0.4265  0.0317  0.0019 -0.0058 -0.7895 -0.0315 -0.0043
  o =  0.6190  v = -0.0135  0.0127 -0.5188 -0.0156 -0.0035  0.0070 -0.3242  0.0264 -0.2932 -0.0005      0.0000  0.0147  0.5806  0.0086 -0.0116 -0.0028 -0.2965 -0.0168  0.3357 -0.0049
  o =  0.6234  v = -0.6598 -0.0406  0.0105 -0.0106 -0.0001 -0.1596  0.2992 -0.0027  0.0044 -0.0269      0.0000 -0.0157 -0.0095  0.0986 -0.5769 -0.0304  0.0043 -0.0412  0.2853  0.1415
  o =  0.6248  v = -0.1587  0.2892  0.0083  0.0556  0.0004  0.6340  0.0760 -0.0028  0.0057  0.1124      0.0000  0.0549 -0.0044 -0.2847 -0.1464  0.1219  0.0066 -0.0043  0.0690 -0.5851
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6031 -0.0000 -0.0001  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0192
 -0.0000  0.5379 -0.0000 -0.0002 -0.0001      0.0000 -0.0000 -0.0001  0.0408 -0.0006
 -0.0001 -0.0000  0.6051  0.0000  0.0000      0.0000  0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5378 -0.0001      0.0000 -0.0408 -0.0000 -0.0000  0.0004
  0.0000 -0.0001  0.0000 -0.0001  0.5456     -0.0192  0.0006 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0001  0.0095 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0095 -0.0000
 -0.0096  0.0010 -0.0000 -0.0000  0.0001     -0.0000  0.0009 -0.0164 -0.0001 -0.0409
 -0.0000  0.0000  0.0001 -0.0163 -0.0000     -0.0000  0.0163  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0165  0.0010 -0.0413      0.0096 -0.0001  0.0000  0.0009  0.0001
  0.0000 -0.0001 -0.0000  0.0415  0.0010     -0.0000  0.0410 -0.0000 -0.0001  0.0009
 
spin component  3
 
  0.0001 -0.0096 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0096  0.0000
  0.0095  0.0010  0.0000 -0.0000 -0.0001     -0.0000 -0.0009 -0.0163  0.0001 -0.0410
 -0.0000 -0.0000  0.0001  0.0165 -0.0000      0.0000  0.0164 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0163  0.0010  0.0415      0.0095  0.0001  0.0000 -0.0009  0.0001
  0.0000  0.0001 -0.0000 -0.0413  0.0010      0.0000  0.0409  0.0000 -0.0001 -0.0009
 
spin component  4
 
  0.6035  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0193
  0.0000  0.5440  0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0001 -0.0431 -0.0006
 -0.0001  0.0000  0.6056  0.0000 -0.0000     -0.0000  0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5438  0.0000      0.0000  0.0431 -0.0000 -0.0000  0.0004
  0.0000  0.0000 -0.0000  0.0000  0.5525      0.0193  0.0006  0.0000 -0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4601  v =  0.0002  0.0609 -0.0004 -0.5947 -0.0237 -0.0009 -0.0311 -0.0003 -0.0179  0.5288      0.0000 -0.5923  0.0005 -0.0623 -0.0365  0.0079  0.0255 -0.0001 -0.0371  0.0549
  o =  0.4610  v = -0.0024 -0.0244  0.0003  0.0307  0.0070  0.0006 -0.5802 -0.0006  0.0059 -0.0274      0.0000  0.0376  0.0005  0.0317 -0.5638 -0.0007 -0.0085  0.0005 -0.5832 -0.0221
  o =  0.5652  v = -0.1152  0.4912 -0.0018 -0.3590  0.0004 -0.0228 -0.0765 -0.2923  0.0037  0.0072      0.0000  0.3647 -0.0049  0.4620  0.1581 -0.0044  0.0026  0.3848 -0.0657 -0.0285
  o =  0.5691  v =  0.5185  0.0268  0.0455 -0.0116 -0.0003  0.1442  0.3607 -0.0650 -0.0476  0.1351      0.0000  0.1341  0.0548  0.1872 -0.6183 -0.1086 -0.0480  0.0956  0.2414  0.1810
  o =  0.5708  v = -0.1425 -0.1284  0.4353  0.0499 -0.0001  0.2342  0.1573  0.0166 -0.4553  0.0778      0.0000  0.0146  0.2242  0.1093  0.1646 -0.0643 -0.4563 -0.0094 -0.3118  0.2807
  o =  0.5725  v = -0.1509 -0.1856 -0.2718  0.2052 -0.0003  0.3613 -0.0838  0.0264  0.2675  0.4070      0.0000  0.1545 -0.0079  0.1712  0.1604 -0.3647  0.2687 -0.0091 -0.0681  0.4031
  o =  0.6186  v = -0.4184 -0.2540  0.0257  0.1916 -0.0009 -0.0847  0.1259 -0.4689  0.0130  0.0074      0.0000 -0.1835 -0.0351 -0.2095 -0.2295  0.0142  0.0126  0.5805  0.0947  0.0464
  o =  0.6195  v =  0.6701 -0.1095  0.0756  0.0642 -0.0007  0.1485 -0.1964 -0.2539  0.0365 -0.0932      0.0000 -0.1507  0.0191 -0.1852  0.3834 -0.1664  0.0362  0.3478 -0.1816 -0.0820
  o =  0.6206  v = -0.1900  0.1278  0.5837 -0.1238 -0.0007  0.4280  0.0004  0.0951  0.2750 -0.1848      0.0000 -0.0418  0.1184 -0.1100 -0.1175 -0.2987  0.2752 -0.0186  0.1120 -0.2647
  o =  0.6215  v = -0.1209  0.1020 -0.5638 -0.1368 -0.0007  0.3569  0.0259  0.0135 -0.2798 -0.2774      0.0000 -0.1187  0.0265 -0.1090 -0.0813 -0.4329 -0.2811  0.0138  0.0519 -0.2291
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0000  0.5332 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0371  0.0007
 -0.0001 -0.0000  0.6056 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5335  0.0003     -0.0000 -0.0371  0.0000  0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0003  0.5429     -0.0195 -0.0007 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0096 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0096 -0.0018 -0.0000 -0.0000  0.0003     -0.0000 -0.0001 -0.0166  0.0003 -0.0420
 -0.0000  0.0000 -0.0001 -0.0163 -0.0000     -0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0166 -0.0017 -0.0413      0.0097  0.0003  0.0000 -0.0002  0.0003
 -0.0000 -0.0002 -0.0000  0.0422 -0.0019      0.0001  0.0431  0.0000 -0.0002 -0.0002
 
spin component  3
 
 -0.0001 -0.0096 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097 -0.0001
  0.0096 -0.0018  0.0000  0.0000 -0.0002     -0.0000  0.0001 -0.0163 -0.0003 -0.0431
 -0.0000 -0.0000 -0.0001  0.0166 -0.0000     -0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0163 -0.0017  0.0422      0.0097 -0.0003  0.0000  0.0002  0.0002
 -0.0000  0.0003 -0.0000 -0.0413 -0.0019     -0.0001  0.0420 -0.0000 -0.0003  0.0002
 
spin component  4
 
  0.6038 -0.0001 -0.0002 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0197
 -0.0001  0.5428 -0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0000 -0.0401  0.0008
 -0.0002 -0.0000  0.6060  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5432 -0.0003     -0.0000  0.0401  0.0000 -0.0000 -0.0002
  0.0000 -0.0000  0.0000 -0.0003  0.5518      0.0197 -0.0008  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4575  v =  0.0010 -0.5818 -0.0004  0.0966 -0.0177  0.0055 -0.1040 -0.0001 -0.0151 -0.0880      0.0000  0.0974 -0.0012  0.5742 -0.1042 -0.0010  0.0182 -0.0007 -0.0913 -0.5238
  o =  0.4608  v = -0.0022 -0.1004  0.0000  0.0003  0.0051  0.0019  0.5673  0.0000  0.0050 -0.0003      0.0000  0.0013  0.0003  0.1123  0.5731  0.0001 -0.0051  0.0012  0.5646 -0.0905
  o =  0.5589  v = -0.0555 -0.6209  0.0043  0.0399  0.0009 -0.0098 -0.0248  0.0293 -0.0068 -0.0062      0.0000 -0.0452  0.0087 -0.6368  0.0899  0.0016 -0.0062 -0.4354 -0.0512 -0.0122
  o =  0.5680  v = -0.1523  0.0019  0.4891 -0.0486 -0.0035  0.0382 -0.1798  0.0119 -0.5541 -0.1514      0.0000 -0.0745 -0.0745  0.0476  0.1871  0.1154 -0.5537  0.0217 -0.0111  0.0496
  o =  0.5686  v =  0.5180  0.0180  0.1392 -0.0255 -0.0008 -0.1348  0.2534  0.0078 -0.1521 -0.0798      0.0000 -0.0427 -0.0551 -0.1407 -0.6132  0.0623 -0.1523 -0.0545  0.3747 -0.1684
  o =  0.5728  v =  0.1623 -0.3016  0.0482  0.0544 -0.0018  0.5636  0.2022  0.0064 -0.0460  0.1159      0.0000  0.0502  0.1228  0.2506 -0.1685 -0.1068 -0.0463 -0.0264 -0.0384  0.6155
  o =  0.6173  v = -0.1512  0.3019  0.0090 -0.0447  0.0003 -0.0040  0.0339  0.1205  0.0034 -0.0065      0.0000  0.0386  0.0058  0.3036 -0.0735 -0.0041  0.0036 -0.8763  0.0350  0.0000
  o =  0.6197  v =  0.7693 -0.0037 -0.0429 -0.0042 -0.0002 -0.2379 -0.2693  0.0202 -0.0151  0.0067      0.0000  0.0104  0.1249  0.1195  0.4275  0.0148 -0.0153 -0.1407 -0.1628  0.1306
  o =  0.6203  v =  0.1758  0.0664  0.0911  0.0123  0.0034  0.1928  0.2996  0.0118  0.0393  0.0406      0.0000  0.0240 -0.7944 -0.0335  0.1002  0.0705  0.0427 -0.0354 -0.4022 -0.1155
  o =  0.6223  v =  0.1830  0.2329  0.0718 -0.0361 -0.0007  0.7218 -0.1738 -0.0056  0.0370 -0.0767      0.0000 -0.0350  0.2306 -0.1986  0.1214 -0.1185  0.0358 -0.0350  0.0556 -0.4681
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0001 -0.0000  0.0190
 -0.0000  0.5399  0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0000  0.0338 -0.0001
 -0.0001  0.0000  0.6057 -0.0000 -0.0000      0.0001  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5400  0.0000      0.0000 -0.0338 -0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0000  0.0000  0.5489     -0.0190  0.0001 -0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0094  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0095 -0.0000
 -0.0094  0.0001 -0.0000  0.0000  0.0001     -0.0000 -0.0001 -0.0162 -0.0000 -0.0373
  0.0000  0.0000 -0.0000 -0.0163  0.0000      0.0000  0.0163 -0.0000 -0.0000 -0.0000
  0.0000  0.0000  0.0162  0.0000 -0.0369      0.0095  0.0000  0.0000 -0.0001  0.0001
 -0.0000 -0.0002  0.0000  0.0367  0.0002      0.0000  0.0371 -0.0000 -0.0002 -0.0001
 
spin component  3
 
  0.0000 -0.0094  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0000
  0.0094  0.0001  0.0000  0.0000 -0.0002     -0.0000  0.0001 -0.0163 -0.0000 -0.0371
  0.0000 -0.0000 -0.0000  0.0162  0.0000     -0.0000  0.0162  0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0163  0.0000  0.0367      0.0095  0.0000  0.0000  0.0001  0.0002
 -0.0000  0.0001  0.0000 -0.0369  0.0002      0.0000  0.0373  0.0000 -0.0001  0.0001
 
spin component  4
 
  0.6034 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0189
 -0.0000  0.5366  0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000 -0.0333 -0.0001
 -0.0001  0.0000  0.6056 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5368 -0.0000      0.0000  0.0333 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000 -0.0000  0.5457      0.0189  0.0001  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v = -0.0057 -0.0163  0.0001  0.0340 -0.0049 -0.0001 -0.5923  0.0001 -0.0056 -0.0336      0.0000  0.0334 -0.0005  0.0166 -0.5463 -0.0001  0.0049 -0.0001 -0.5886 -0.0160
  o =  0.4701  v =  0.0004 -0.0690 -0.0000  0.5751  0.0119  0.0003  0.0367 -0.0005  0.0127 -0.5627      0.0000  0.5782  0.0001  0.0694  0.0331 -0.0018 -0.0129  0.0001  0.0359 -0.0675
  o =  0.5588  v = -0.0101 -0.0013  0.2751 -0.0004 -0.0036  0.0016  0.4862 -0.0030 -0.3981  0.0091      0.0000  0.0086  0.3420  0.0014  0.0157 -0.0058 -0.3980  0.0001 -0.5035  0.0026
  o =  0.5617  v =  0.0045 -0.3622  0.0002 -0.5323 -0.0010  0.0074 -0.0009 -0.3805  0.0003 -0.0356      0.0000  0.4953 -0.0037 -0.3511 -0.0076  0.0248 -0.0009 -0.2641  0.0070  0.0143
  o =  0.5670  v = -0.0721  0.3316 -0.0062  0.0634 -0.0010 -0.5091 -0.0408 -0.0269  0.0075  0.1934      0.0000  0.1248  0.0031 -0.3110  0.0959 -0.1489  0.0074  0.0086 -0.0475 -0.6601
  o =  0.5682  v =  0.5433  0.0486  0.0087  0.0131 -0.0000 -0.0716  0.3286 -0.0005 -0.0083  0.0266      0.0000  0.0123  0.0094 -0.0382 -0.6948 -0.0204 -0.0081  0.0051  0.3089 -0.0894
  o =  0.6169  v = -0.0182 -0.0078  0.8120  0.0022  0.0035 -0.0209  0.1360 -0.0114  0.2795 -0.0040      0.0000 -0.0060 -0.3830  0.0020 -0.0084 -0.0094  0.2817  0.0097 -0.1288  0.0103
  o =  0.6177  v =  0.0452  0.3221  0.0036  0.1237 -0.0001  0.0493 -0.0061 -0.2526  0.0015  0.0617      0.0000 -0.0630 -0.0138  0.2967  0.0237  0.1253  0.0015 -0.8363 -0.0160 -0.0268
  o =  0.6181  v =  0.0941  0.0579  0.0246  0.1584  0.0020  0.4220 -0.0259  0.0597  0.0086  0.3719      0.0000  0.2067  0.0055 -0.1580  0.0501  0.7111  0.0105  0.1291 -0.0219 -0.2196
  o =  0.6186  v =  0.8296 -0.0254  0.0119 -0.0249 -0.0003 -0.0484 -0.2106  0.0067  0.0063 -0.0459      0.0000 -0.0199 -0.0100  0.0018  0.4526 -0.0875  0.0060  0.0300 -0.2160  0.0277
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6033  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0190
  0.0000  0.5422 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000  0.0395 -0.0001
 -0.0001 -0.0000  0.6057 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5423 -0.0000     -0.0000 -0.0395  0.0000 -0.0000 -0.0001
  0.0000 -0.0001 -0.0000 -0.0000  0.5498     -0.0190  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0093 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0093 -0.0000
 -0.0093  0.0003 -0.0000  0.0000  0.0001     -0.0000 -0.0002 -0.0162 -0.0000 -0.0384
 -0.0000  0.0000  0.0000 -0.0163  0.0000     -0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0162  0.0002 -0.0385      0.0093  0.0000  0.0000 -0.0003  0.0001
 -0.0000 -0.0001 -0.0000  0.0385  0.0003      0.0000  0.0382  0.0000 -0.0001 -0.0004
 
spin component  3
 
  0.0000 -0.0093 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0093 -0.0000
  0.0093  0.0003  0.0000  0.0000 -0.0001     -0.0000  0.0002 -0.0163 -0.0000 -0.0382
 -0.0000 -0.0000  0.0000  0.0162 -0.0000     -0.0000  0.0162  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0163  0.0002  0.0385      0.0093  0.0000  0.0000  0.0003  0.0001
 -0.0000  0.0001  0.0000 -0.0385  0.0003      0.0000  0.0384 -0.0000 -0.0001  0.0004
 
spin component  4
 
  0.6029  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0001  0.0000 -0.0187
  0.0000  0.5369 -0.0000 -0.0002  0.0001     -0.0000  0.0000 -0.0000 -0.0376 -0.0001
 -0.0001 -0.0000  0.6052 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5367 -0.0000     -0.0000  0.0376  0.0000  0.0000 -0.0002
  0.0000  0.0001 -0.0000 -0.0000  0.5441      0.0187  0.0001  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4645  v = -0.0064  0.0329  0.0001  0.0041  0.0098  0.0002 -0.5950  0.0002  0.0101 -0.0033      0.0000  0.0015 -0.0001 -0.0313 -0.5356 -0.0001 -0.0113  0.0002 -0.5963  0.0320
  o =  0.4654  v =  0.0006  0.5751  0.0003  0.0849 -0.0026 -0.0020  0.0328  0.0001 -0.0037 -0.0819      0.0000  0.0832 -0.0001 -0.5760  0.0288 -0.0004  0.0007  0.0002  0.0345  0.5600
  o =  0.5624  v = -0.0119  0.0077  0.4559  0.0097 -0.0004 -0.0113  0.1200 -0.0021 -0.6105  0.0283      0.0000  0.0149  0.0961 -0.0073  0.0208 -0.0183 -0.6119  0.0003 -0.1372 -0.0182
  o =  0.5667  v =  0.0905 -0.3459  0.0244 -0.2238  0.0002  0.3166  0.0571  0.0265 -0.0287 -0.5213      0.0000 -0.2819  0.0021  0.0537 -0.1214  0.4000 -0.0288 -0.1234  0.0519  0.4109
  o =  0.5676  v = -0.0541  0.1906  0.0027  0.5386 -0.0009  0.1319 -0.0351  0.4451 -0.0025  0.0554      0.0000 -0.4864 -0.0042  0.3522  0.0722 -0.0413 -0.0038  0.2349 -0.0258  0.1655
  o =  0.5691  v =  0.5478  0.0770  0.0118  0.0925 -0.0005 -0.0449  0.3084  0.0424 -0.0104  0.0953      0.0000 -0.0013  0.0015  0.0264 -0.6876 -0.0778 -0.0112  0.0466  0.3041 -0.0541
  o =  0.6174  v = -0.0861 -0.1486  0.1618 -0.1480 -0.0001 -0.5336  0.0119 -0.0265  0.0581 -0.3282      0.0000 -0.1732  0.0219  0.1241 -0.0423 -0.6289  0.0579  0.0339  0.0275  0.2781
  o =  0.6178  v = -0.0352 -0.0474 -0.6680 -0.0147 -0.0012 -0.1505 -0.1972  0.0331 -0.2485 -0.0026      0.0000  0.0123  0.5544  0.0323 -0.0219 -0.0049 -0.2507  0.0180  0.2171  0.0800
  o =  0.6188  v =  0.8142  0.0173 -0.0202  0.0290  0.0002 -0.0636 -0.2210 -0.1077 -0.0052 -0.0338      0.0000 -0.0616  0.0271  0.0526  0.4593 -0.0562 -0.0051 -0.0831 -0.2004  0.0367
  o =  0.6194  v =  0.1308 -0.2228  0.0290 -0.2906  0.0004  0.0264 -0.0332  0.6501  0.0114 -0.0188      0.0000  0.2735 -0.0062 -0.2385  0.0760 -0.0357  0.0117  0.5314 -0.0380 -0.0159
     EDDAV:  cpu time   75.9518: real time   76.7379
       DOS:  cpu time    0.0511: real time    0.0514
    CHARGE:  cpu time    1.1861: real time    1.1971
    MIXING:  cpu time    0.0313: real time    0.0316
    --------------------------------------------
      LOOP:  cpu time   78.1314: real time   78.9358

 eigenvalue-minimisations  : 13632
 total energy-change (2. order) : 0.5703644E+00  (-0.7539139E-01)
 number of electron    1039.9999692 magnetization       0.0211097     -0.0025541     -0.0240309
 augmentation part       28.4558642 magnetization      -0.0137171     -0.0095181     -0.0112394

 Broyden mixing:
  rms(total) = 0.18444E+01    rms(broyden)= 0.18444E+01
  rms(prec ) = 0.19693E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5571
  2.0616  0.7139  0.7139  0.3866  0.3866  0.2987  0.1687  0.1687  0.1156

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17398.11235692
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.09277142
  PAW double counting   =     84291.90611013   -83111.57516731
  entropy T*S    EENTRO =        -0.11400428
  eigenvalues    EBANDS =     -6116.24423054
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.51989103 eV

  energy without entropy =    -1066.40588676  energy(sigma->0) =    -1066.48188961


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  15)  ---------------------------------------


    POTLOK:  cpu time    0.4733: real time    0.4785
    SETDIJ:  cpu time    0.4416: real time    0.4441
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0000 -0.0000  0.0001  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0193
 -0.0000  0.5336 -0.0000 -0.0000 -0.0002     -0.0000  0.0000 -0.0000  0.0363 -0.0009
 -0.0000 -0.0000  0.6061  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0001 -0.0000  0.0000  0.5344 -0.0003      0.0000 -0.0363 -0.0000 -0.0000  0.0007
  0.0000 -0.0002  0.0000 -0.0003  0.5423     -0.0193  0.0009  0.0000 -0.0007  0.0000
 
spin component  2
 
  0.0001  0.0095 -0.0000 -0.0000  0.0001      0.0001 -0.0000 -0.0000 -0.0095 -0.0001
 -0.0094  0.0021 -0.0000 -0.0002  0.0000     -0.0000  0.0013 -0.0165 -0.0002 -0.0399
 -0.0000  0.0000  0.0001 -0.0161  0.0000     -0.0000  0.0161  0.0001 -0.0000 -0.0000
 -0.0000 -0.0002  0.0165  0.0015 -0.0384      0.0095 -0.0002 -0.0000  0.0016  0.0001
  0.0001 -0.0000  0.0000  0.0401  0.0021     -0.0001  0.0416 -0.0000 -0.0000  0.0019
 
spin component  3
 
  0.0001 -0.0094 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0095  0.0001
  0.0095  0.0021  0.0000 -0.0002 -0.0000      0.0000 -0.0013 -0.0161  0.0002 -0.0416
 -0.0000 -0.0000  0.0001  0.0165  0.0000      0.0000  0.0165 -0.0001  0.0000  0.0000
 -0.0000 -0.0002 -0.0161  0.0015  0.0401      0.0095  0.0002  0.0000 -0.0016  0.0000
  0.0001  0.0000  0.0000 -0.0384  0.0021      0.0001  0.0399  0.0000 -0.0001 -0.0019
 
spin component  4
 
  0.6043  0.0001 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0001  0.5446  0.0000 -0.0000  0.0001     -0.0000 -0.0000 -0.0000 -0.0402 -0.0010
 -0.0000  0.0000  0.6065 -0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0000  0.5450  0.0003      0.0000  0.0402 -0.0000  0.0000  0.0007
 -0.0000  0.0001  0.0001  0.0003  0.5540      0.0195  0.0010 -0.0000 -0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4614  v =  0.0014  0.3853 -0.0018 -0.4436 -0.0242 -0.0047 -0.1128  0.0007 -0.0150  0.3956      0.0000 -0.4510 -0.0002 -0.3749 -0.1208  0.0055  0.0318  0.0011 -0.1111  0.3358
  o =  0.4650  v = -0.0023  0.0971 -0.0004 -0.0646 -0.0314 -0.0022  0.5669  0.0015 -0.0295  0.0573      0.0000 -0.0781  0.0009 -0.1073  0.5681  0.0017  0.0336 -0.0011  0.5580  0.0838
  o =  0.5590  v = -0.0944  0.4658  0.0022 -0.4257 -0.0001  0.0055 -0.0608 -0.2759 -0.0012 -0.0306      0.0000  0.3886  0.0053  0.4783  0.1541  0.0216 -0.0012  0.3199 -0.0757  0.0048
  o =  0.5666  v =  0.4899  0.0225  0.0621 -0.0192 -0.0011  0.1030  0.2355 -0.0704 -0.0742  0.1529      0.0000  0.1535 -0.0728  0.1532 -0.6264 -0.1104 -0.0737  0.0718  0.4102  0.1403
  o =  0.5695  v =  0.1343  0.0116 -0.4413 -0.1040  0.0051  0.0091  0.3125 -0.0043  0.4904 -0.2433      0.0000 -0.0904  0.2108  0.0277 -0.1611  0.1890  0.4891  0.0161 -0.1553  0.0112
  o =  0.5735  v =  0.1543  0.2469  0.1959 -0.1437 -0.0017 -0.4525  0.1640  0.0027 -0.1924 -0.3376      0.0000 -0.1508  0.0889 -0.1909 -0.1605  0.3057 -0.1930  0.0294 -0.0118 -0.4991
  o =  0.6173  v = -0.3338 -0.2150  0.0101  0.1955  0.0003 -0.0161  0.0711 -0.5390  0.0063  0.0283      0.0000 -0.1660  0.0191 -0.2085 -0.1597  0.0649  0.0062  0.6317  0.0839  0.0089
  o =  0.6188  v =  0.7387 -0.0565  0.0782  0.0520  0.0001  0.1630 -0.1649 -0.2314  0.0326 -0.0774      0.0000 -0.1224 -0.0722 -0.1332  0.3828 -0.1512  0.0322  0.2510 -0.2239 -0.0801
  o =  0.6208  v = -0.1581  0.0413  0.7172 -0.0965  0.0002  0.0891  0.1254  0.0152  0.3214 -0.2095      0.0000 -0.0857 -0.1782 -0.0039 -0.0941 -0.3503  0.3185 -0.0479 -0.0337 -0.0548
  o =  0.6226  v = -0.1648  0.1856 -0.3511 -0.1060 -0.0008  0.5644  0.1311 -0.0127 -0.1749 -0.2435      0.0000 -0.1142 -0.1557 -0.1476 -0.1113 -0.3735 -0.1747 -0.0375 -0.0249 -0.3669
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6041  0.0001 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0000  0.0190
  0.0001  0.5371  0.0000 -0.0001  0.0001      0.0000  0.0000  0.0000  0.0365  0.0009
 -0.0000  0.0000  0.6064 -0.0001 -0.0000     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5364  0.0004     -0.0000 -0.0365  0.0000  0.0000 -0.0001
  0.0000  0.0001 -0.0000  0.0004  0.5451     -0.0190 -0.0009  0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0095  0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0024  0.0000 -0.0000 -0.0000     -0.0000 -0.0001 -0.0164  0.0003 -0.0381
 -0.0000  0.0000 -0.0001 -0.0161 -0.0000      0.0000  0.0161  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165 -0.0022 -0.0395      0.0095  0.0003  0.0000 -0.0001 -0.0000
  0.0000 -0.0000 -0.0000  0.0402 -0.0024      0.0001  0.0391  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0024  0.0000 -0.0000 -0.0000     -0.0000  0.0001 -0.0161 -0.0003 -0.0391
  0.0000  0.0000 -0.0001  0.0165 -0.0000     -0.0000  0.0164 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0161 -0.0022  0.0402      0.0095 -0.0003  0.0000  0.0001  0.0000
  0.0000 -0.0000 -0.0000 -0.0395 -0.0024     -0.0001  0.0381 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6046 -0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0001  0.0000 -0.0192
 -0.0001  0.5469 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0399  0.0010
 -0.0000 -0.0000  0.6069  0.0000 -0.0000     -0.0001 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.5468 -0.0003     -0.0000  0.0399  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000 -0.0003  0.5542      0.0192 -0.0010  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4649  v = -0.0009  0.5832  0.0001 -0.0386  0.0118 -0.0079  0.1153 -0.0000  0.0109  0.0344      0.0000 -0.0385  0.0015 -0.5891  0.1156  0.0005 -0.0123 -0.0005  0.1000  0.5211
  o =  0.4680  v =  0.0004  0.1079  0.0001  0.0007 -0.0181 -0.0027 -0.5604 -0.0000 -0.0183 -0.0012      0.0000  0.0009  0.0012 -0.1273 -0.5671  0.0001  0.0178 -0.0020 -0.5712  0.0962
  o =  0.5614  v = -0.1002 -0.6385  0.0003  0.0485 -0.0009  0.0299 -0.0763  0.0359 -0.0009 -0.0040      0.0000 -0.0525 -0.0057 -0.5902  0.1586  0.0024 -0.0005 -0.4356 -0.0635  0.0411
  o =  0.5683  v =  0.4636 -0.0129  0.0125  0.0045 -0.0005 -0.1957  0.4841  0.0069 -0.0137 -0.0081      0.0000 -0.0118  0.1598 -0.2432 -0.5783  0.0059 -0.0143 -0.1071  0.1087 -0.2628
  o =  0.5710  v =  0.2527 -0.1375 -0.0396  0.0035  0.0008  0.2006 -0.3431  0.0052  0.0424 -0.0019      0.0000 -0.0064 -0.4526  0.0636 -0.2932  0.0020  0.0435 -0.0362  0.6282  0.2511
  o =  0.5734  v =  0.1222 -0.2539  0.0376  0.0179 -0.0003  0.5161  0.3317  0.0040 -0.0373  0.0325      0.0000  0.0114  0.2692  0.2607 -0.1302 -0.0294 -0.0378  0.0026 -0.2060  0.5812
  o =  0.6181  v = -0.3736  0.3076 -0.0035 -0.0194  0.0006  0.1245  0.1099  0.0560 -0.0021  0.0002      0.0000  0.0197 -0.0482  0.2466 -0.1852  0.0021 -0.0019 -0.7925  0.0706 -0.0617
  o =  0.6196  v = -0.6960 -0.1029 -0.0161  0.0071 -0.0001  0.2261  0.2348 -0.0255 -0.0072 -0.0056      0.0000 -0.0123 -0.1186 -0.2112 -0.3738 -0.0115 -0.0074  0.4049  0.1454 -0.1176
  o =  0.6212  v = -0.2519 -0.1449  0.0721  0.0089 -0.0009 -0.5207 -0.1903 -0.0064  0.0329  0.0134      0.0000  0.0026  0.5848  0.1342 -0.1561  0.0225  0.0324  0.0018  0.3410  0.3152
  o =  0.6225  v = -0.0938 -0.1602 -0.0565  0.0041  0.0010 -0.5610  0.3091 -0.0015 -0.0280  0.0062      0.0000  0.0019 -0.5718  0.1705 -0.0602  0.0098 -0.0271 -0.0112 -0.2502  0.3579
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6045 -0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0000  0.5477 -0.0000 -0.0000 -0.0001      0.0000 -0.0000 -0.0000  0.0437 -0.0003
 -0.0001 -0.0000  0.6067 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.5475  0.0000      0.0000 -0.0437 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0000  0.5560     -0.0195  0.0003  0.0000  0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097 -0.0000
 -0.0097  0.0004  0.0000  0.0000  0.0001     -0.0000 -0.0001 -0.0165 -0.0000 -0.0436
 -0.0000  0.0000  0.0000 -0.0167 -0.0000      0.0000  0.0167 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0165  0.0003 -0.0438      0.0096 -0.0000  0.0000 -0.0001  0.0000
 -0.0000  0.0000  0.0000  0.0435  0.0005     -0.0000  0.0433  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0097 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0096  0.0000
  0.0097  0.0004  0.0000  0.0000  0.0000     -0.0000  0.0001 -0.0167  0.0000 -0.0433
  0.0000  0.0000  0.0000  0.0165  0.0000     -0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0167  0.0003  0.0435      0.0097  0.0000  0.0000  0.0001 -0.0000
 -0.0000  0.0001 -0.0000 -0.0438  0.0005      0.0000  0.0436  0.0000 -0.0000  0.0002
 
spin component  4
 
  0.6041 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0194
 -0.0000  0.5403 -0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0417 -0.0003
 -0.0001 -0.0000  0.6064 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5400 -0.0000      0.0000  0.0417 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0000 -0.0000  0.5486      0.0194  0.0003  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4590  v =  0.0074  0.0025 -0.0000 -0.0135  0.0040 -0.0000  0.5951 -0.0001  0.0048  0.0133      0.0000 -0.0121 -0.0003 -0.0048  0.5364 -0.0001 -0.0043 -0.0001  0.5979  0.0027
  o =  0.4610  v = -0.0004 -0.1971 -0.0003 -0.5455 -0.0078  0.0003 -0.0118 -0.0001 -0.0063  0.5392      0.0000 -0.5436 -0.0002  0.1970 -0.0096  0.0008  0.0089 -0.0001 -0.0114 -0.1949
  o =  0.5679  v =  0.0052 -0.0125 -0.3076 -0.0041 -0.0019  0.0222  0.4894  0.0007  0.3626 -0.0087      0.0000 -0.0042  0.4113  0.0131 -0.0068  0.0060  0.3630  0.0009 -0.4811  0.0290
  o =  0.5733  v = -0.0819  0.3529 -0.0140  0.0458 -0.0000 -0.5814 -0.0211 -0.0346  0.0140  0.1597      0.0000  0.1121  0.0210 -0.2600  0.0919 -0.1498  0.0148  0.0457 -0.0615 -0.6193
  o =  0.5741  v =  0.0620 -0.5203  0.0007 -0.1460  0.0006 -0.0583  0.0321 -0.1332 -0.0002 -0.0353      0.0000  0.1123  0.0022 -0.5799 -0.0690  0.0318 -0.0004 -0.5669  0.0266 -0.0620
  o =  0.5758  v = -0.6288 -0.0989 -0.0032 -0.0208  0.0001  0.0792 -0.2838 -0.0096  0.0016 -0.0253      0.0000 -0.0034  0.0030 -0.0242  0.6427  0.0257  0.0016 -0.0676 -0.2865  0.0770
  o =  0.6207  v =  0.0042  0.0194 -0.0318 -0.0044 -0.0020  0.0511 -0.3631  0.0022 -0.0124 -0.0066      0.0000 -0.0019  0.8553 -0.0083 -0.0002 -0.0109 -0.0144 -0.0111  0.3619 -0.0292
  o =  0.6223  v =  0.0911  0.2462  0.0296  0.0660  0.0004  0.7382 -0.0052  0.0320  0.0138  0.1674      0.0000  0.1001 -0.0439 -0.2153  0.0565  0.2659  0.0144 -0.0304 -0.0475 -0.4648
  o =  0.6236  v = -0.1564 -0.3872  0.0037 -0.0488 -0.0003  0.0519  0.0443  0.0849  0.0012 -0.0107      0.0000  0.0386  0.0080 -0.4212 -0.1056 -0.0182  0.0003  0.7854  0.0510 -0.0356
  o =  0.6242  v =  0.7492 -0.1123 -0.0048 -0.0186 -0.0001 -0.0717 -0.2405  0.0130 -0.0010 -0.0232      0.0000 -0.0041  0.0040 -0.0624  0.5210 -0.0336 -0.0011  0.1630 -0.2375  0.0510
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6047 -0.0000 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0201
 -0.0000  0.5506  0.0000 -0.0001  0.0002      0.0000 -0.0000 -0.0000  0.0452 -0.0002
 -0.0000  0.0000  0.6072  0.0000  0.0001      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5510 -0.0001     -0.0000 -0.0452  0.0000 -0.0000 -0.0003
  0.0000  0.0002  0.0001 -0.0001  0.5583     -0.0201  0.0002 -0.0000  0.0003 -0.0000
 
spin component  2
 
  0.0000  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0100 -0.0000
 -0.0099  0.0005  0.0000  0.0001 -0.0001     -0.0000 -0.0007 -0.0167 -0.0000 -0.0478
 -0.0000  0.0000  0.0000 -0.0171  0.0000     -0.0000  0.0172 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0004 -0.0470      0.0099 -0.0000  0.0000 -0.0007 -0.0001
 -0.0000 -0.0001  0.0000  0.0460  0.0006     -0.0000  0.0466  0.0000 -0.0001 -0.0007
 
spin component  3
 
  0.0000 -0.0099 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0005  0.0000  0.0001 -0.0001     -0.0000  0.0007 -0.0172  0.0000 -0.0466
  0.0000  0.0000  0.0000  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0171  0.0004  0.0460      0.0100  0.0000  0.0000  0.0007  0.0001
 -0.0000 -0.0001  0.0000 -0.0470  0.0006      0.0000  0.0478 -0.0000  0.0001  0.0007
 
spin component  4
 
  0.6041  0.0000 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0198
  0.0000  0.5370 -0.0000  0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0408 -0.0002
 -0.0000 -0.0000  0.6067 -0.0000  0.0001     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5374  0.0001     -0.0000  0.0408  0.0000  0.0000 -0.0003
  0.0000 -0.0001  0.0001  0.0001  0.5469      0.0198  0.0002  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4535  v =  0.0067 -0.0251 -0.0001 -0.0281 -0.0050 -0.0003  0.5977 -0.0003 -0.0053  0.0290      0.0000 -0.0243  0.0005  0.0221  0.5368 -0.0004  0.0062 -0.0002  0.5920 -0.0259
  o =  0.4577  v = -0.0009 -0.4136 -0.0005 -0.3906 -0.0019 -0.0022 -0.0392  0.0003 -0.0002  0.4069      0.0000 -0.3940 -0.0001  0.4105 -0.0318 -0.0019  0.0053 -0.0003 -0.0378 -0.4277
  o =  0.5648  v = -0.0119 -0.0129 -0.1038  0.0128 -0.0001  0.0198  0.5937  0.0007  0.1320  0.0281      0.0000  0.0122  0.4746  0.0108  0.0125 -0.0203  0.1309 -0.0008 -0.6113  0.0269
  o =  0.5747  v =  0.0814 -0.2139  0.0294 -0.3074 -0.0003  0.4084  0.0496 -0.0691 -0.0283 -0.4624      0.0000 -0.1763  0.0114  0.1999 -0.0847  0.4758 -0.0282 -0.0082  0.0281  0.3965
  o =  0.5764  v =  0.1217 -0.2817 -0.0047 -0.4083 -0.0003 -0.0287  0.0505 -0.5080  0.0048  0.0805      0.0000  0.4878 -0.0014 -0.3095 -0.1208 -0.0856  0.0044 -0.3349  0.0520 -0.0246
  o =  0.5785  v = -0.6652 -0.0779  0.0055 -0.1131 -0.0001  0.0530 -0.2778 -0.1116 -0.0052 -0.0442      0.0000  0.0691 -0.0131 -0.0335  0.6017  0.0528 -0.0052 -0.0684 -0.2581  0.0450
  o =  0.6203  v =  0.0181 -0.0119  0.0688  0.0157  0.0006 -0.0384  0.3370 -0.0035  0.0267  0.0274      0.0000  0.0107 -0.8683  0.0096  0.0077  0.0487  0.0271  0.0028 -0.3468  0.0222
  o =  0.6242  v =  0.0988  0.1777  0.0588  0.2296  0.0002  0.5014 -0.0400 -0.0621  0.0288  0.3819      0.0000  0.1644  0.0178 -0.1680  0.0660  0.5703  0.0286 -0.0102 -0.0219 -0.3353
  o =  0.6261  v =  0.1740  0.2491 -0.0103  0.3133  0.0007 -0.0272 -0.0580 -0.6003 -0.0051 -0.0538      0.0000 -0.3660  0.0017  0.2698  0.1292 -0.0714 -0.0043 -0.4580 -0.0574  0.0186
  o =  0.6276  v =  0.7039 -0.0870 -0.0067 -0.1108 -0.0001 -0.0546 -0.2614  0.1476 -0.0037 -0.0425      0.0000  0.0685  0.0140 -0.0442  0.5529 -0.0544 -0.0040  0.1088 -0.2459  0.0430
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000  0.0199
  0.0000  0.5445 -0.0000 -0.0003  0.0001     -0.0000  0.0000  0.0000  0.0479 -0.0002
 -0.0000 -0.0000  0.6078 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5446  0.0000     -0.0000 -0.0479  0.0000 -0.0000 -0.0001
 -0.0000  0.0001 -0.0000  0.0000  0.5438     -0.0199  0.0002 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0099  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
 -0.0099 -0.0007  0.0000  0.0002 -0.0002      0.0000  0.0000 -0.0169  0.0002 -0.0473
 -0.0000 -0.0000 -0.0000 -0.0169 -0.0000      0.0000  0.0169  0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0169 -0.0008 -0.0472      0.0099 -0.0003 -0.0000  0.0000 -0.0001
 -0.0000  0.0002  0.0000  0.0476 -0.0008      0.0000  0.0476 -0.0000  0.0002 -0.0000
 
spin component  3
 
 -0.0000 -0.0099 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0099 -0.0000
  0.0099 -0.0007 -0.0000 -0.0001  0.0002     -0.0000 -0.0000 -0.0169  0.0003 -0.0476
  0.0000  0.0000 -0.0000  0.0169  0.0000     -0.0000  0.0169 -0.0000  0.0000  0.0000
  0.0000  0.0002 -0.0169 -0.0008  0.0476      0.0099 -0.0002 -0.0000 -0.0000 -0.0002
  0.0000 -0.0002 -0.0000 -0.0472 -0.0008     -0.0000  0.0473 -0.0000  0.0001  0.0000
 
spin component  4
 
  0.6058  0.0000 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0001 -0.0000 -0.0197
  0.0000  0.5408 -0.0000 -0.0003  0.0001     -0.0000 -0.0000  0.0000 -0.0476  0.0002
 -0.0001 -0.0000  0.6076  0.0000 -0.0000     -0.0001 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5408  0.0002      0.0000  0.0476 -0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000  0.0002  0.5394      0.0197 -0.0002 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4470  v = -0.0008 -0.2478  0.0005  0.0198 -0.0376 -0.0009 -0.5246 -0.0001 -0.0398 -0.0215      0.0000  0.0212 -0.0005  0.2431 -0.5126  0.0001  0.0363 -0.0005 -0.5204 -0.2551
  o =  0.4474  v =  0.0011 -0.5113 -0.0002 -0.0527 -0.0268 -0.0017  0.2480 -0.0004 -0.0272  0.0528      0.0000 -0.0491 -0.0007  0.5130  0.2407 -0.0003  0.0281  0.0000  0.2554 -0.5296
  o =  0.5712  v = -0.1392 -0.3222  0.0529  0.0198  0.0005  0.5166 -0.2854  0.0094 -0.0581  0.0191      0.0000  0.0010 -0.1886  0.2934  0.1654 -0.0167 -0.0594 -0.0141  0.1237  0.5943
  o =  0.5723  v = -0.4452 -0.0398 -0.1053  0.0174 -0.0016  0.0286  0.1148  0.0183  0.1088 -0.0011      0.0000 -0.0204  0.3453  0.0015  0.5072  0.0007  0.1102 -0.0178 -0.6102  0.0289
  o =  0.5727  v =  0.3528 -0.1342 -0.1101 -0.0120 -0.0008  0.2554  0.5707 -0.0129  0.1145  0.0061      0.0000  0.0169  0.3610  0.1587 -0.3988 -0.0053  0.1164  0.0115 -0.1840  0.2806
  o =  0.5750  v =  0.0377 -0.3997 -0.0004  0.4035 -0.0013 -0.0078  0.0222  0.4152 -0.0004  0.0026      0.0000 -0.3977  0.0007 -0.4091 -0.0380 -0.0037  0.0019 -0.4190  0.0193 -0.0110
  o =  0.6228  v =  0.1674 -0.2486 -0.0242  0.0426 -0.0010 -0.7800 -0.1142 -0.0308 -0.0094  0.0509      0.0000  0.0099  0.1527  0.2082  0.0940  0.0896 -0.0107  0.0390  0.0215  0.4438
  o =  0.6236  v =  0.7666  0.0156  0.0691  0.0059 -0.0001  0.1200 -0.1199 -0.0268  0.0325 -0.0122      0.0000 -0.0187 -0.2204 -0.0556  0.4567 -0.0215  0.0329  0.0419 -0.3275 -0.0739
  o =  0.6239  v =  0.1921  0.0446 -0.2554  0.0100 -0.0005  0.1848 -0.4080 -0.0169 -0.1208  0.0015      0.0000 -0.0072  0.7387 -0.0730  0.1148  0.0046 -0.1229  0.0278  0.2964 -0.1112
  o =  0.6251  v =  0.0625  0.3402 -0.0077 -0.2239  0.0008 -0.0329 -0.0326  0.4363 -0.0028  0.0057      0.0000  0.2280  0.0257  0.3584  0.0387  0.0097 -0.0035 -0.6742 -0.0081  0.0186
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061  0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0198
  0.0000  0.5420  0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0001  0.0475  0.0002
 -0.0001  0.0000  0.6077 -0.0000 -0.0001      0.0000 -0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5419 -0.0003     -0.0000 -0.0475 -0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0001 -0.0003  0.5408     -0.0198 -0.0002  0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0099 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0099  0.0000
 -0.0099 -0.0011 -0.0000 -0.0001 -0.0001     -0.0000  0.0004 -0.0168 -0.0003 -0.0474
 -0.0000 -0.0000 -0.0001 -0.0169  0.0000     -0.0000  0.0168  0.0000  0.0000 -0.0000
 -0.0000  0.0002  0.0169 -0.0012 -0.0475      0.0099  0.0001 -0.0000  0.0004 -0.0001
  0.0000  0.0002 -0.0000  0.0472 -0.0010      0.0000  0.0473  0.0000  0.0002  0.0004
 
spin component  3
 
 -0.0001 -0.0099 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0099 -0.0000
  0.0099 -0.0011 -0.0000  0.0002  0.0002      0.0000 -0.0004 -0.0168 -0.0001 -0.0473
 -0.0000 -0.0000 -0.0001  0.0169 -0.0000      0.0000  0.0168 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0169 -0.0012  0.0472      0.0099  0.0003 -0.0000 -0.0004 -0.0002
 -0.0000 -0.0001  0.0000 -0.0475 -0.0010     -0.0000  0.0474  0.0000  0.0001 -0.0004
 
spin component  4
 
  0.6062 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0000  0.5430  0.0000 -0.0003 -0.0002      0.0000 -0.0000  0.0000 -0.0477 -0.0002
 -0.0001  0.0000  0.6078  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0003  0.0000  0.5430 -0.0000     -0.0000  0.0477 -0.0000  0.0000 -0.0001
 -0.0000 -0.0002 -0.0000 -0.0000  0.5420      0.0198  0.0002  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4470  v = -0.0008  0.3163 -0.0006  0.1909 -0.0519  0.0006  0.4429  0.0004 -0.0479 -0.1901      0.0000  0.1865  0.0003 -0.3056  0.4491  0.0002  0.0549  0.0010  0.4402  0.3154
  o =  0.4474  v =  0.0003  0.3909 -0.0001  0.2161  0.0268 -0.0004 -0.3608  0.0002  0.0281 -0.2138      0.0000  0.2152  0.0003 -0.3967 -0.3663 -0.0000 -0.0248 -0.0003 -0.3657  0.3885
  o =  0.5713  v =  0.4615  0.2711 -0.0115  0.1499 -0.0009 -0.2760  0.3049  0.0608  0.0134  0.1660      0.0000  0.0161  0.0271 -0.0551 -0.5391 -0.1414  0.0148  0.0981  0.2441 -0.3259
  o =  0.5722  v =  0.2663 -0.0401  0.0288 -0.0481  0.0008  0.4114  0.0915  0.0765 -0.0294 -0.2566      0.0000 -0.2087 -0.0542  0.4284 -0.3059  0.2244 -0.0306  0.1852  0.2073  0.4711
  o =  0.5734  v =  0.2197 -0.5259  0.0016 -0.2611  0.0010  0.1044  0.0842 -0.2368 -0.0004 -0.0428      0.0000  0.2227 -0.0412 -0.4126 -0.2367  0.0363 -0.0015 -0.4591  0.1662  0.1174
  o =  0.5740  v =  0.0187 -0.0689 -0.0668 -0.0100 -0.0033  0.0798  0.5775 -0.0037  0.0670 -0.0156      0.0000 -0.0029  0.5670  0.0228 -0.0201  0.0142  0.0675 -0.0215 -0.5578  0.0828
  o =  0.6230  v = -0.7181  0.1469 -0.0225  0.0787 -0.0002  0.3354  0.2376 -0.0847 -0.0132  0.0809      0.0000  0.0027 -0.0653 -0.0410 -0.4072  0.1451 -0.0127 -0.1197  0.1753 -0.1877
  o =  0.6235  v =  0.3124  0.1119  0.0721 -0.0109 -0.0006  0.6598 -0.0590  0.1731  0.0365  0.1453      0.0000  0.1557 -0.0707 -0.2715  0.1858  0.2492  0.0356  0.1707 -0.1229 -0.3851
  o =  0.6243  v =  0.2327  0.3135 -0.1423  0.2655  0.0002  0.1203 -0.0157 -0.4858 -0.0730  0.0578      0.0000 -0.2086 -0.1156  0.2443  0.1401  0.0972 -0.0699 -0.5698 -0.1308 -0.0714
  o =  0.6246  v = -0.0094 -0.0085  0.7428  0.0617  0.0015 -0.0153  0.1304 -0.1944  0.3691 -0.0614      0.0000 -0.1269 -0.2596  0.0043 -0.0041 -0.1016  0.3726  0.0054 -0.1285  0.0089
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5981 -0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0001 -0.0001  0.0201
 -0.0001  0.5456  0.0001 -0.0001  0.0001      0.0000 -0.0000 -0.0001  0.0413 -0.0012
 -0.0001  0.0001  0.6016  0.0001  0.0000      0.0001  0.0001 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0001  0.5458 -0.0002      0.0001 -0.0413  0.0000  0.0000 -0.0001
 -0.0000  0.0001  0.0000 -0.0002  0.5544     -0.0201  0.0012 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0041 -0.0000  0.0001  0.0004     -0.0000 -0.0004 -0.0167  0.0001 -0.0472
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167  0.0035 -0.0470      0.0099 -0.0006  0.0000 -0.0005  0.0004
 -0.0000 -0.0002  0.0000  0.0476  0.0049     -0.0001  0.0474 -0.0000 -0.0002 -0.0006
 
spin component  3
 
  0.0002 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0041  0.0000 -0.0000 -0.0002     -0.0000  0.0004 -0.0166  0.0006 -0.0474
  0.0000 -0.0000  0.0002  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0166  0.0035  0.0476      0.0099 -0.0001  0.0000  0.0005  0.0002
 -0.0000  0.0004  0.0001 -0.0470  0.0049      0.0001  0.0472 -0.0000 -0.0004  0.0006
 
spin component  4
 
  0.5982  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0001 -0.0000 -0.0201
  0.0001  0.5479  0.0000 -0.0003  0.0001     -0.0000  0.0000 -0.0001 -0.0419 -0.0004
 -0.0001  0.0000  0.6016 -0.0001  0.0000      0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0001  0.5478  0.0002      0.0000  0.0419  0.0000 -0.0000 -0.0001
 -0.0000  0.0001  0.0000  0.0002  0.5572      0.0201  0.0004  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4573  v =  0.0015  0.4579  0.0003  0.0607  0.0013  0.0002 -0.3690  0.0003 -0.0009 -0.0587      0.0000  0.0592 -0.0021 -0.4388 -0.3655 -0.0000 -0.0043  0.0019 -0.3473  0.4435
  o =  0.4604  v = -0.0006 -0.3553 -0.0004 -0.0358 -0.0110  0.0032 -0.4459  0.0005 -0.0093  0.0355      0.0000 -0.0397  0.0018  0.3808 -0.4418  0.0002  0.0139  0.0028 -0.4636 -0.3396
  o =  0.5691  v =  0.1928 -0.5654 -0.0307 -0.1024 -0.0021  0.0642  0.1322 -0.0934  0.0324 -0.0222      0.0000  0.0811  0.0533 -0.4977 -0.2007  0.0200  0.0328 -0.5432  0.0364  0.0669
  o =  0.5711  v = -0.0456 -0.0371  0.4023  0.0366  0.0035 -0.1265 -0.4137 -0.0006 -0.3685  0.0913      0.0000  0.0335 -0.4242 -0.1358  0.0393 -0.0926 -0.3682 -0.0919  0.3639 -0.1262
  o =  0.5744  v = -0.5251  0.0236 -0.0580 -0.0207 -0.0012 -0.4091 -0.1013 -0.0388  0.0454  0.0164      0.0000  0.0399  0.1413 -0.3083  0.4132 -0.0214  0.0451 -0.1790 -0.3301 -0.3280
  o =  0.5773  v =  0.4638  0.2569  0.0019  0.0225  0.0001 -0.5902  0.2231  0.0041  0.0001  0.0378      0.0000  0.0119  0.1001 -0.1351 -0.3207 -0.0532  0.0001  0.0817  0.0826 -0.4138
  o =  0.6185  v =  0.2226  0.4118 -0.0390  0.0507 -0.0001  0.0966 -0.1532 -0.0866 -0.0189  0.0143      0.0000 -0.0362  0.1490  0.3503  0.1592  0.0247 -0.0193 -0.7477  0.0108 -0.0636
  o =  0.6198  v =  0.0434 -0.0403 -0.7364  0.1260  0.0001  0.0611 -0.0909 -0.1539 -0.3981  0.1150      0.0000 -0.0304  0.1389 -0.0816  0.0276  0.1468 -0.4044  0.1112  0.0595 -0.0475
  o =  0.6230  v = -0.5089 -0.0506 -0.0685  0.0157  0.0002 -0.4174  0.1183 -0.0398 -0.0443 -0.0176      0.0000 -0.0354  0.1513  0.2964 -0.4180 -0.0217 -0.0448 -0.1902  0.3106  0.3459
  o =  0.6273  v = -0.3995  0.2904  0.0033  0.0220  0.0001  0.4900  0.2565 -0.0036  0.0008  0.0437      0.0000  0.0186 -0.0900 -0.1698 -0.3934  0.0440  0.0009 -0.0838  0.1220 -0.4816
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5980 -0.0000 -0.0002 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0200
 -0.0000  0.5450  0.0000 -0.0002 -0.0001     -0.0000 -0.0000  0.0000  0.0412  0.0002
 -0.0002  0.0000  0.6014 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5449 -0.0000     -0.0000 -0.0412  0.0000  0.0000 -0.0001
 -0.0000 -0.0001 -0.0000 -0.0000  0.5533     -0.0200 -0.0002 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0003 -0.0000 -0.0000  0.0003     -0.0000 -0.0004 -0.0167 -0.0004 -0.0470
  0.0000  0.0000 -0.0000 -0.0166 -0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0002 -0.0471      0.0099  0.0003  0.0000 -0.0004  0.0003
 -0.0000 -0.0003  0.0000  0.0475  0.0005     -0.0000  0.0476  0.0000 -0.0003 -0.0005
 
spin component  3
 
 -0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0003  0.0000  0.0001 -0.0003     -0.0000  0.0004 -0.0166 -0.0003 -0.0476
  0.0000 -0.0000 -0.0000  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0166  0.0002  0.0475      0.0099  0.0004  0.0000  0.0004  0.0003
 -0.0000  0.0003 -0.0000 -0.0471  0.0005      0.0000  0.0470 -0.0000 -0.0003  0.0005
 
spin component  4
 
  0.5982  0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0201
  0.0000  0.5488  0.0000 -0.0003 -0.0001      0.0000  0.0000  0.0000 -0.0420 -0.0006
 -0.0001  0.0000  0.6016 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5487  0.0000      0.0000  0.0420  0.0000 -0.0000 -0.0001
 -0.0000 -0.0001 -0.0000  0.0000  0.5580      0.0201  0.0006  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4583  v = -0.0009 -0.5446 -0.0004 -0.1881  0.0419  0.0021  0.0958 -0.0000  0.0436  0.1799      0.0000 -0.1883  0.0004  0.5451  0.0994  0.0006 -0.0398 -0.0000  0.0942 -0.5195
  o =  0.4596  v =  0.0012 -0.0686 -0.0001 -0.0803  0.0697  0.0001 -0.5628  0.0004  0.0704  0.0761      0.0000 -0.0835 -0.0001  0.0691 -0.5644  0.0007 -0.0693  0.0000 -0.5630 -0.0670
  o =  0.5692  v =  0.0143  0.2893 -0.0057 -0.4869 -0.0001  0.0151  0.0096 -0.5004  0.0047  0.0038      0.0000  0.4908  0.0035  0.3064 -0.0157 -0.0019  0.0064  0.3049  0.0031  0.0172
  o =  0.5718  v =  0.0479 -0.0161 -0.6173 -0.0138 -0.0008  0.0402  0.0623  0.0095  0.5475 -0.0492      0.0000 -0.0299  0.0441  0.0152 -0.0455  0.0537  0.5466  0.0000 -0.0160  0.0362
  o =  0.5748  v =  0.7089 -0.0509  0.0617 -0.0138  0.0001  0.1175  0.2696  0.0152 -0.0452 -0.0523      0.0000 -0.0376 -0.0091  0.0393 -0.5491  0.0655 -0.0456 -0.0076  0.2833  0.0900
  o =  0.5763  v =  0.1432  0.2186 -0.0489  0.1210  0.0001 -0.6263  0.0750 -0.0159  0.0362  0.2757      0.0000  0.1401  0.0293 -0.2234 -0.1049 -0.3707  0.0391 -0.0070  0.0304 -0.4667
  o =  0.6186  v = -0.0208  0.2374  0.0192 -0.3342 -0.0011 -0.0185  0.0079  0.6562  0.0102  0.0031      0.0000  0.3375 -0.0025  0.2476 -0.0152  0.0083  0.0102 -0.4736  0.0060  0.0102
  o =  0.6203  v =  0.0474  0.0187 -0.7714  0.0065 -0.0004  0.0371 -0.0704  0.0177 -0.4350  0.0350      0.0000  0.0258  0.0961 -0.0071  0.0318  0.0456 -0.4356 -0.0114  0.0382 -0.0290
  o =  0.6236  v =  0.6724  0.0557  0.0533  0.0208 -0.0005  0.1156 -0.2822  0.0185  0.0379  0.0678      0.0000  0.0455 -0.0110 -0.0438  0.5769  0.0792  0.0378 -0.0092 -0.2955 -0.1005
  o =  0.6256  v =  0.1401 -0.2317 -0.0425 -0.1520  0.0019 -0.5395 -0.0783 -0.0101 -0.0291 -0.3369      0.0000 -0.1704  0.0204  0.2452  0.1265 -0.3646 -0.0292 -0.0081 -0.0482  0.4984
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6062  0.0000  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
  0.0000  0.5443 -0.0000  0.0002  0.0001     -0.0000 -0.0000  0.0000  0.0480  0.0002
  0.0000 -0.0000  0.6079  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0002  0.0000  0.5444 -0.0003      0.0000 -0.0480  0.0000  0.0000 -0.0001
  0.0000  0.0001 -0.0000 -0.0003  0.5436     -0.0199 -0.0002 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0000  0.0099  0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0099  0.0000
 -0.0099 -0.0007 -0.0000  0.0002  0.0001     -0.0000  0.0001 -0.0168 -0.0003 -0.0473
  0.0000  0.0000 -0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002  0.0168 -0.0008 -0.0472      0.0099  0.0002  0.0000  0.0000  0.0001
 -0.0000 -0.0002 -0.0000  0.0477 -0.0008      0.0000  0.0476 -0.0000 -0.0002  0.0000
 
spin component  3
 
 -0.0000 -0.0099  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0099 -0.0000
  0.0099 -0.0007  0.0000 -0.0002 -0.0002     -0.0000 -0.0001 -0.0169 -0.0002 -0.0476
  0.0000 -0.0000 -0.0000  0.0168 -0.0000      0.0000  0.0168  0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0169 -0.0008  0.0477      0.0099  0.0003  0.0000 -0.0000  0.0002
  0.0000  0.0001  0.0000 -0.0472 -0.0008     -0.0000  0.0473  0.0000 -0.0001 -0.0000
 
spin component  4
 
  0.6059  0.0000  0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0197
  0.0000  0.5406 -0.0000  0.0003  0.0001      0.0000 -0.0000 -0.0000 -0.0476 -0.0002
  0.0000 -0.0000  0.6076  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0003  0.0000  0.5406 -0.0000     -0.0000  0.0476  0.0000  0.0000  0.0001
  0.0000  0.0001 -0.0000 -0.0000  0.5390      0.0197  0.0002 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4468  v = -0.0010 -0.2226 -0.0003  0.0403 -0.0053 -0.0012 -0.5363  0.0001 -0.0037 -0.0413      0.0000  0.0393 -0.0003  0.2149 -0.5226  0.0002  0.0066 -0.0007 -0.5337 -0.2319
  o =  0.4471  v =  0.0007 -0.5227  0.0002  0.0313 -0.0250 -0.0017  0.2251  0.0004 -0.0260 -0.0317      0.0000  0.0291 -0.0006  0.5262  0.2212  0.0002  0.0244  0.0003  0.2298 -0.5411
  o =  0.5713  v = -0.1787 -0.3488  0.0778 -0.0240 -0.0002  0.5322 -0.1597 -0.0013 -0.0850 -0.0446      0.0000 -0.0221 -0.0488  0.2902  0.2107  0.0384 -0.0853 -0.0272 -0.0520  0.6150
  o =  0.5722  v =  0.3905  0.0084  0.2188 -0.0399 -0.0006  0.0616 -0.1413 -0.0178 -0.2325 -0.0431      0.0000 -0.0024 -0.3390  0.0767 -0.4499  0.0384 -0.2315  0.0395  0.5773  0.0707
  o =  0.5725  v = -0.3856  0.0629  0.1844  0.0127 -0.0003 -0.1977 -0.5523  0.0220 -0.1953 -0.0202      0.0000 -0.0327 -0.3215 -0.1670  0.4406  0.0179 -0.1933 -0.0508  0.1253 -0.2183
  o =  0.5750  v =  0.0819 -0.5289 -0.0059  0.2055 -0.0014  0.0002  0.0501  0.2060  0.0043  0.0145      0.0000 -0.1936  0.0055 -0.5296 -0.0830 -0.0130  0.0064 -0.5472  0.0390  0.0001
  o =  0.6228  v = -0.1768  0.2490  0.0823  0.0290  0.0001  0.7913  0.0681 -0.0153  0.0363  0.0417      0.0000  0.0139 -0.0415 -0.2111 -0.0976  0.0735  0.0367 -0.0405  0.0313 -0.4469
  o =  0.6236  v =  0.7602  0.0048  0.0059  0.0395  0.0002  0.1552 -0.1176 -0.0570  0.0021  0.0234      0.0000 -0.0158 -0.2177 -0.0900  0.4489  0.0400  0.0023  0.0910 -0.3209 -0.0931
  o =  0.6239  v =  0.1958  0.0039  0.0622 -0.0187  0.0002  0.0845 -0.4325 -0.0068  0.0286 -0.0425      0.0000 -0.0258  0.7943 -0.0504  0.1165 -0.0714  0.0300  0.0478  0.3194 -0.0503
  o =  0.6251  v = -0.1131 -0.3696  0.0182  0.1938 -0.0003 -0.0020  0.0441 -0.3566  0.0071  0.0194      0.0000 -0.1752 -0.0161 -0.3686 -0.0702  0.0323  0.0091  0.7138  0.0292  0.0013
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061 -0.0000 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0197
 -0.0000  0.5417  0.0000  0.0003  0.0000      0.0000  0.0000  0.0000  0.0476 -0.0002
 -0.0000  0.0000  0.6079 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0003 -0.0000  0.5417  0.0000     -0.0000 -0.0476 -0.0000  0.0000  0.0002
 -0.0000  0.0000 -0.0000  0.0000  0.5405     -0.0197  0.0002  0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0000  0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099  0.0000
 -0.0099 -0.0011 -0.0000 -0.0001  0.0001     -0.0000  0.0004 -0.0168  0.0001 -0.0474
  0.0000  0.0000 -0.0001 -0.0168 -0.0000      0.0000  0.0168  0.0000 -0.0000  0.0000
  0.0000  0.0002  0.0168 -0.0012 -0.0476      0.0099 -0.0003  0.0000  0.0004  0.0001
  0.0000 -0.0001  0.0000  0.0473 -0.0010      0.0000  0.0474  0.0000 -0.0002  0.0004
 
spin component  3
 
 -0.0000 -0.0099  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0000
  0.0099 -0.0011  0.0000  0.0002 -0.0001     -0.0000 -0.0004 -0.0168  0.0003 -0.0474
 -0.0000 -0.0000 -0.0001  0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0168 -0.0012  0.0473      0.0099 -0.0001  0.0000 -0.0004  0.0002
 -0.0000  0.0001 -0.0000 -0.0476 -0.0010     -0.0000  0.0474 -0.0000 -0.0001 -0.0004
 
spin component  4
 
  0.6062 -0.0000 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0198
 -0.0000  0.5428  0.0000  0.0002 -0.0002      0.0000 -0.0000  0.0000 -0.0479  0.0003
 -0.0000  0.0000  0.6080  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0002  0.0000  0.5428  0.0003     -0.0000  0.0479 -0.0000  0.0000 -0.0001
 -0.0000 -0.0002 -0.0000  0.0003  0.5418      0.0198 -0.0003  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4467  v = -0.0010  0.3446  0.0002  0.0506  0.0038  0.0002  0.4622 -0.0000  0.0043 -0.0515      0.0000  0.0496  0.0006 -0.3379  0.4697  0.0002 -0.0036  0.0006  0.4560  0.3423
  o =  0.4470  v =  0.0001  0.3879 -0.0008  0.2472  0.1374 -0.0001 -0.3139 -0.0002  0.1419 -0.2465      0.0000  0.2498  0.0005 -0.3946 -0.3162 -0.0001 -0.1335 -0.0005 -0.3200  0.3896
  o =  0.5712  v =  0.4278  0.2606 -0.0222  0.1411  0.0002 -0.3303  0.3296  0.0550  0.0243  0.1592      0.0000  0.0188  0.0676 -0.1332 -0.5026 -0.1349  0.0238  0.0579  0.1816 -0.3894
  o =  0.5722  v =  0.3446 -0.0915  0.0406 -0.0034  0.0004  0.3940  0.1000  0.0855 -0.0441 -0.1903      0.0000 -0.1843 -0.0916  0.3540 -0.3941  0.1656 -0.0421  0.1233  0.2946  0.4542
  o =  0.5732  v =  0.1682 -0.4648 -0.0045 -0.3564  0.0003  0.0594  0.0513 -0.3353  0.0054 -0.0166      0.0000  0.3368 -0.0458 -0.4004 -0.1834  0.0147  0.0035 -0.4184  0.1437  0.0660
  o =  0.5741  v =  0.0178 -0.1034 -0.1937 -0.0278  0.0003  0.1287  0.5373 -0.0001  0.1954 -0.0550      0.0000 -0.0286  0.5245  0.0432 -0.0193  0.0519  0.1934 -0.0295 -0.5167  0.1348
  o =  0.6229  v = -0.6929  0.1535  0.0166  0.0785  0.0002  0.3904  0.2325 -0.0807  0.0068  0.0849      0.0000  0.0070 -0.0782 -0.0673 -0.3909  0.1530  0.0066 -0.0938  0.1631 -0.2177
  o =  0.6234  v =  0.4058  0.1397  0.0598  0.0428 -0.0000  0.6374 -0.0624  0.0615  0.0287  0.1441      0.0000  0.1002 -0.1248 -0.2275  0.2386  0.2474  0.0280  0.0962 -0.1766 -0.3717
  o =  0.6242  v =  0.1567  0.3066 -0.1297  0.2458 -0.0007  0.0179 -0.0055 -0.4903 -0.0649  0.0153      0.0000 -0.2280 -0.0898  0.2959  0.0934  0.0265 -0.0646 -0.6236 -0.0940 -0.0112
  o =  0.6247  v =  0.0173  0.1166  0.4196 -0.0095 -0.0001  0.1294 -0.3370 -0.0337  0.2087 -0.0467      0.0000 -0.0416  0.6661  0.0333  0.0107 -0.0777  0.2091 -0.1549  0.3257 -0.0791
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5983 -0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0200
 -0.0001  0.5466  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0001  0.0413 -0.0000
 -0.0001  0.0000  0.6011  0.0000 -0.0000      0.0000  0.0001  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5465 -0.0001     -0.0000 -0.0413 -0.0000  0.0000 -0.0001
 -0.0000  0.0001 -0.0000 -0.0001  0.5542     -0.0200  0.0000  0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0002  0.0099 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0033 -0.0000  0.0001 -0.0002     -0.0000 -0.0003 -0.0167 -0.0006 -0.0471
 -0.0000  0.0000  0.0002 -0.0166  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167  0.0028 -0.0472      0.0099  0.0001  0.0000 -0.0004 -0.0002
 -0.0000  0.0001  0.0001  0.0474  0.0040     -0.0001  0.0475 -0.0000  0.0001 -0.0005
 
spin component  3
 
  0.0002 -0.0099 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0033  0.0000 -0.0000  0.0001     -0.0000  0.0003 -0.0166 -0.0001 -0.0475
 -0.0000 -0.0000  0.0002  0.0167  0.0001      0.0000  0.0167  0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0166  0.0028  0.0474      0.0099  0.0006  0.0000  0.0004 -0.0001
 -0.0000 -0.0002  0.0000 -0.0472  0.0040      0.0001  0.0471 -0.0000  0.0002  0.0005
 
spin component  4
 
  0.5984  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5488  0.0000  0.0000  0.0001     -0.0000  0.0000 -0.0001 -0.0419 -0.0008
 -0.0001  0.0000  0.6012 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0001  0.5491  0.0001      0.0000  0.0419  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0000  0.0001  0.5568      0.0201  0.0008  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4580  v =  0.0024  0.4658  0.0006  0.0711  0.0055 -0.0001 -0.3523  0.0003  0.0020 -0.0685      0.0000  0.0683 -0.0022 -0.4515 -0.3554  0.0000 -0.0082  0.0013 -0.3315  0.4521
  o =  0.4610  v = -0.0005 -0.3304  0.0004  0.1021 -0.1838  0.0018 -0.4177  0.0010 -0.1894 -0.0918      0.0000  0.0930  0.0017  0.3478 -0.4166 -0.0006  0.1858  0.0017 -0.4330 -0.3203
  o =  0.5700  v = -0.1135  0.5526 -0.0259  0.1239  0.0019 -0.0259 -0.0826  0.1360  0.0224 -0.0071      0.0000 -0.1309 -0.0418  0.5254  0.1159  0.0100  0.0217  0.5741 -0.0086 -0.0260
  o =  0.5714  v = -0.0699  0.0128 -0.1367 -0.0154  0.0028 -0.1797 -0.5453 -0.0004  0.1203 -0.0410      0.0000 -0.0150 -0.5747 -0.1318  0.0612  0.0399  0.1228 -0.0637  0.4773 -0.1736
  o =  0.5747  v =  0.5747 -0.0771  0.0013 -0.0103  0.0011  0.3658  0.1012  0.0223  0.0000 -0.0539      0.0000 -0.0432 -0.1677  0.2251 -0.4532  0.0670  0.0011  0.0959  0.3641  0.2897
  o =  0.5772  v = -0.4274 -0.2434  0.0340 -0.0430 -0.0001  0.6039 -0.2280 -0.0146 -0.0253 -0.0642      0.0000 -0.0186 -0.1166  0.1685  0.2994  0.0907 -0.0249 -0.0507 -0.0639  0.4313
  o =  0.6188  v =  0.1286  0.4234  0.0386  0.0588  0.0009  0.0531 -0.1181 -0.1192  0.0214 -0.0090      0.0000 -0.0672  0.1367  0.3888  0.0945 -0.0091  0.0218 -0.7624  0.0372 -0.0362
  o =  0.6199  v = -0.0500  0.0283 -0.0843  0.0087  0.0020 -0.1808  0.4326 -0.0012 -0.0490  0.0190      0.0000  0.0058 -0.7349  0.1483 -0.0344  0.0237 -0.0464 -0.1656 -0.3930  0.1380
  o =  0.6233  v =  0.5540  0.0955  0.0070  0.0167 -0.0003  0.3806 -0.1257  0.0136  0.0059  0.0532      0.0000  0.0365 -0.1646 -0.2247  0.4604  0.0638  0.0058  0.0989 -0.3419 -0.3135
  o =  0.6268  v = -0.3787  0.2729  0.0310  0.0421  0.0005  0.5131  0.2535 -0.0108  0.0223  0.0723      0.0000  0.0276 -0.1017 -0.2012 -0.3633  0.0760  0.0223 -0.0497  0.1020 -0.4932
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.5982 -0.0000 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0200
 -0.0000  0.5465 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0415 -0.0006
 -0.0001 -0.0000  0.6012  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5466 -0.0000      0.0000 -0.0415 -0.0000  0.0000  0.0000
 -0.0000 -0.0000  0.0000 -0.0000  0.5536     -0.0200  0.0006 -0.0000 -0.0000 -0.0000
 
spin component  2
 
 -0.0000  0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0005 -0.0000 -0.0001 -0.0002     -0.0000 -0.0001 -0.0167  0.0002 -0.0471
 -0.0000  0.0000  0.0000 -0.0166  0.0000      0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0005 -0.0469      0.0099 -0.0005  0.0000 -0.0002 -0.0002
 -0.0000  0.0001 -0.0000  0.0476  0.0008     -0.0000  0.0475  0.0000  0.0001 -0.0002
 
spin component  3
 
 -0.0000 -0.0099 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099  0.0000
  0.0099  0.0005  0.0000  0.0001  0.0001     -0.0000  0.0001 -0.0166  0.0005 -0.0475
 -0.0000 -0.0000  0.0000  0.0167 -0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0166  0.0005  0.0476      0.0099 -0.0002  0.0000  0.0002 -0.0001
 -0.0000 -0.0002  0.0000 -0.0469  0.0008      0.0000  0.0471 -0.0000  0.0002  0.0002
 
spin component  4
 
  0.5984  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0201
  0.0000  0.5491 -0.0000 -0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0417  0.0001
 -0.0001 -0.0000  0.6013  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0000  0.5489  0.0001     -0.0000  0.0417 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0001  0.0000  0.0001  0.5574      0.0201 -0.0001  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4590  v = -0.0003 -0.3904 -0.0003 -0.4147 -0.0570  0.0008  0.1168 -0.0001 -0.0560  0.4010      0.0000 -0.4136 -0.0002  0.3880  0.1176  0.0009  0.0583 -0.0003  0.1168 -0.3772
  o =  0.4601  v =  0.0013 -0.1245  0.0000 -0.0413 -0.0234  0.0009 -0.5606  0.0002 -0.0240  0.0396      0.0000 -0.0422  0.0001  0.1286 -0.5642  0.0002  0.0228  0.0005 -0.5611 -0.1175
  o =  0.5702  v = -0.0606  0.5654 -0.0163 -0.0227 -0.0016 -0.0095 -0.0095 -0.0197  0.0148 -0.0069      0.0000  0.0141  0.0184  0.5562  0.0595  0.0107  0.0149  0.5992 -0.0458 -0.0094
  o =  0.5718  v =  0.0336  0.0300  0.5776 -0.0129  0.0020 -0.0199 -0.1941 -0.0132 -0.5099 -0.0030      0.0000  0.0089 -0.2361  0.0146 -0.0265  0.0037 -0.5087  0.0245  0.2223 -0.0181
  o =  0.5751  v =  0.6946 -0.0252 -0.0221 -0.0164 -0.0003  0.1935  0.2818 -0.0036  0.0205 -0.0262      0.0000 -0.0095  0.0150  0.1211 -0.5356  0.0339  0.0203  0.0613  0.2605  0.1522
  o =  0.5763  v =  0.2004  0.2594 -0.0271  0.0530  0.0003 -0.7047  0.0761  0.0096  0.0205  0.0901      0.0000  0.0338  0.0044 -0.2457 -0.1486 -0.1211  0.0209  0.0082  0.0685 -0.5240
  o =  0.6190  v =  0.0626  0.4272  0.0002  0.0097 -0.0007  0.0092 -0.0100 -0.0241  0.0005 -0.0053      0.0000 -0.0160 -0.0222  0.4214  0.0453 -0.0050  0.0003 -0.7944 -0.0329 -0.0060
  o =  0.6201  v =  0.0272 -0.0111  0.6902  0.0121  0.0021 -0.0108  0.1934 -0.0180  0.3901  0.0022      0.0000 -0.0092 -0.3615 -0.0049  0.0221  0.0046  0.3927  0.0127 -0.2165  0.0072
  o =  0.6239  v = -0.6600 -0.0363  0.0235 -0.0150 -0.0001 -0.1820  0.2941 -0.0003  0.0134 -0.0320      0.0000 -0.0165 -0.0130  0.1171 -0.5667 -0.0368  0.0134 -0.0592  0.2758  0.1584
  o =  0.6256  v = -0.1798  0.2863  0.0163  0.0616  0.0004  0.6314  0.0823 -0.0088  0.0115  0.1167      0.0000  0.0515 -0.0023 -0.2744 -0.1648  0.1274  0.0120 -0.0093  0.0787 -0.5785
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034  0.0000 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0180
  0.0000  0.5344 -0.0000 -0.0002 -0.0001      0.0000 -0.0000 -0.0001  0.0291 -0.0005
 -0.0001 -0.0000  0.6054  0.0000  0.0000     -0.0000  0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5345 -0.0000      0.0000 -0.0291 -0.0000 -0.0000  0.0004
  0.0000 -0.0001  0.0000 -0.0000  0.5415     -0.0180  0.0005 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0001  0.0090 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0090 -0.0000
 -0.0090  0.0008 -0.0000 -0.0000  0.0000     -0.0000  0.0007 -0.0155 -0.0000 -0.0281
 -0.0000  0.0000  0.0001 -0.0154 -0.0000      0.0000  0.0154  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0155  0.0007 -0.0284      0.0090 -0.0000  0.0000  0.0007  0.0000
  0.0000 -0.0000 -0.0000  0.0287  0.0008     -0.0000  0.0283 -0.0000 -0.0000  0.0008
 
spin component  3
 
  0.0001 -0.0090 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0090  0.0000
  0.0090  0.0008  0.0000 -0.0000 -0.0000     -0.0000 -0.0007 -0.0154  0.0000 -0.0283
 -0.0000 -0.0000  0.0001  0.0155 -0.0000     -0.0000  0.0155 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0154  0.0007  0.0287      0.0090  0.0000  0.0000 -0.0007  0.0000
  0.0000  0.0000 -0.0000 -0.0284  0.0008      0.0000  0.0281  0.0000 -0.0000 -0.0008
 
spin component  4
 
  0.6038  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0181
  0.0000  0.5396  0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0001 -0.0313 -0.0005
 -0.0001  0.0000  0.6060  0.0000  0.0000     -0.0000  0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5394 -0.0000      0.0000  0.0313 -0.0000 -0.0000  0.0004
  0.0000  0.0000  0.0000 -0.0000  0.5474      0.0181  0.0005  0.0000 -0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4810  v = -0.0006 -0.4006  0.0008  0.4514 -0.0259  0.0082 -0.0182  0.0001 -0.0322 -0.3839      0.0000  0.4516 -0.0002  0.4048 -0.0124 -0.0091  0.0219  0.0006 -0.0173 -0.3427
  o =  0.4816  v =  0.0050 -0.0346 -0.0003 -0.0039 -0.0103  0.0004  0.5865  0.0008 -0.0095  0.0033      0.0000 -0.0114 -0.0007  0.0280  0.5526  0.0005  0.0118 -0.0005  0.5893 -0.0290
  o =  0.5542  v =  0.0985 -0.5042  0.0015  0.4012 -0.0005  0.0200  0.0925  0.2395 -0.0037 -0.0057      0.0000 -0.4039  0.0062 -0.4690 -0.1882  0.0019 -0.0022 -0.2893  0.0724  0.0362
  o =  0.5574  v = -0.3977 -0.0496 -0.0182  0.0264  0.0001 -0.0973 -0.3510  0.0590  0.0263 -0.1540      0.0000 -0.1598 -0.0169 -0.1998  0.6905  0.0851  0.0267 -0.0790 -0.2993 -0.1773
  o =  0.5598  v = -0.0921 -0.1410  0.3490  0.1025  0.0002  0.1991  0.0604  0.0158 -0.5147  0.1957      0.0000  0.0562  0.0880  0.1401  0.1546 -0.1125 -0.5162 -0.0006 -0.1993  0.3454
  o =  0.5613  v = -0.1081 -0.1905 -0.2450  0.2081 -0.0004  0.2615 -0.0792  0.0182  0.3464  0.4324      0.0000  0.1575 -0.0005  0.1749  0.1702 -0.2623  0.3488 -0.0064 -0.0776  0.4311
  o =  0.6139  v =  0.8767  0.0496  0.0089 -0.0471  0.0001  0.1143 -0.1696  0.1149  0.0037 -0.0337      0.0000  0.0152  0.0126  0.0104  0.3465 -0.0924  0.0037 -0.1136 -0.1633 -0.0418
  o =  0.6150  v = -0.1341  0.2656  0.1189  0.0319  0.0023  0.7428 -0.0247 -0.1529  0.0370 -0.0267      0.0000 -0.0562  0.1655 -0.0199 -0.0608 -0.0582  0.0364 -0.4129  0.0823 -0.3191
  o =  0.6152  v = -0.1591  0.0751 -0.0434 -0.3045 -0.0015 -0.0278  0.0699  0.7381 -0.0177 -0.1849      0.0000  0.1390 -0.1095  0.0825 -0.0695 -0.4232 -0.0172 -0.2589 -0.0014  0.0091
  o =  0.6161  v = -0.0064 -0.0588  0.0792 -0.0523 -0.0031 -0.1418 -0.2967  0.0856  0.0286 -0.0586      0.0000 -0.0024  0.8648  0.0022 -0.0028 -0.1282  0.0257  0.0972  0.2986  0.0648
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0000  0.5346 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0374  0.0009
 -0.0001 -0.0000  0.6061 -0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5349  0.0004     -0.0000 -0.0374  0.0000  0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0004  0.5445     -0.0195 -0.0009 -0.0000  0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0096 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0095 -0.0021 -0.0000 -0.0000  0.0003     -0.0000 -0.0001 -0.0167  0.0004 -0.0409
 -0.0000  0.0000 -0.0001 -0.0163 -0.0000      0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167 -0.0019 -0.0402      0.0096  0.0004  0.0000 -0.0002  0.0003
 -0.0000 -0.0002 -0.0000  0.0414 -0.0022      0.0001  0.0424  0.0000 -0.0002 -0.0002
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0021  0.0000 -0.0000 -0.0002     -0.0000  0.0001 -0.0163 -0.0004 -0.0424
 -0.0000 -0.0000 -0.0001  0.0167 -0.0000     -0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0163 -0.0019  0.0414      0.0096 -0.0004  0.0000  0.0002  0.0002
 -0.0000  0.0003 -0.0000 -0.0402 -0.0022     -0.0001  0.0409 -0.0000 -0.0003  0.0002
 
spin component  4
 
  0.6044 -0.0001 -0.0002 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5458 -0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0000 -0.0411  0.0009
 -0.0002 -0.0000  0.6066  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5465 -0.0004     -0.0000  0.0411  0.0000 -0.0000 -0.0002
  0.0000 -0.0000  0.0000 -0.0004  0.5548      0.0196 -0.0009  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4601  v =  0.0010 -0.5903 -0.0003  0.0726 -0.0139  0.0073 -0.1037 -0.0001 -0.0116 -0.0648      0.0000  0.0735 -0.0015  0.5813 -0.1030 -0.0009  0.0143 -0.0008 -0.0888 -0.5185
  o =  0.4642  v = -0.0019 -0.0986  0.0000 -0.0004  0.0052  0.0024  0.5693  0.0000  0.0052  0.0003      0.0000  0.0004  0.0005  0.1123  0.5716  0.0000 -0.0051  0.0014  0.5651 -0.0864
  o =  0.5604  v = -0.0729 -0.6173  0.0045  0.0287  0.0009 -0.0083 -0.0366  0.0219 -0.0072 -0.0064      0.0000 -0.0339  0.0087 -0.6311  0.1154  0.0017 -0.0064 -0.4404 -0.0626 -0.0094
  o =  0.5690  v =  0.5290  0.0036 -0.0481 -0.0004  0.0002 -0.1524  0.3683  0.0016  0.0563 -0.0038      0.0000 -0.0044  0.0400 -0.1729 -0.6332  0.0027  0.0557 -0.0746  0.2773 -0.1943
  o =  0.5709  v =  0.1049 -0.1040  0.1941 -0.0445  0.0006  0.1601 -0.4415  0.0139 -0.2054 -0.1408      0.0000 -0.0721 -0.4747  0.0536 -0.1137  0.1153 -0.2038 -0.0238  0.5614  0.1969
  o =  0.5742  v =  0.1503 -0.2820  0.0733  0.0516 -0.0024  0.5479  0.2695  0.0056 -0.0686  0.1135      0.0000  0.0487  0.2069  0.2326 -0.1526 -0.1066 -0.0687 -0.0257 -0.1247  0.5869
  o =  0.6180  v = -0.2078  0.3045  0.0074 -0.0367  0.0002  0.0059  0.0477  0.0962  0.0025 -0.0062      0.0000  0.0310  0.0073  0.3023 -0.1028 -0.0038  0.0026 -0.8635  0.0497 -0.0043
  o =  0.6201  v =  0.7686  0.0241 -0.0264 -0.0054  0.0001 -0.2276 -0.2428  0.0237 -0.0084  0.0074      0.0000  0.0121  0.0656  0.1403  0.4259  0.0164 -0.0083 -0.2009 -0.1869  0.1243
  o =  0.6217  v = -0.1510 -0.1182  0.0101 -0.0089 -0.0026 -0.3602 -0.2941 -0.0063  0.0056 -0.0296      0.0000 -0.0177  0.7254  0.0783 -0.0912 -0.0493  0.0026  0.0410  0.3872  0.2255
  o =  0.6234  v =  0.1568  0.2153  0.1132 -0.0361 -0.0009  0.6544 -0.2447 -0.0047  0.0599 -0.0776      0.0000 -0.0350  0.3749 -0.1831  0.1084 -0.1164  0.0579 -0.0322  0.1414 -0.4385
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6045 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0192
 -0.0000  0.5442  0.0000 -0.0003  0.0000      0.0000 -0.0000 -0.0000  0.0364 -0.0001
 -0.0001  0.0000  0.6067 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0003 -0.0000  0.5442  0.0000      0.0000 -0.0364 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.0000  0.5531     -0.0192  0.0001 -0.0000  0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0000
 -0.0095  0.0001 -0.0000  0.0000  0.0001     -0.0000 -0.0001 -0.0164 -0.0000 -0.0406
  0.0000  0.0000 -0.0000 -0.0165  0.0000      0.0000  0.0165 -0.0000 -0.0000 -0.0000
  0.0000  0.0000  0.0164  0.0000 -0.0402      0.0096  0.0000  0.0000 -0.0001  0.0001
 -0.0000 -0.0002  0.0000  0.0399  0.0002      0.0000  0.0404 -0.0000 -0.0002 -0.0001
 
spin component  3
 
  0.0000 -0.0095  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
  0.0096  0.0001  0.0000  0.0000 -0.0002     -0.0000  0.0001 -0.0165 -0.0000 -0.0404
  0.0000 -0.0000 -0.0000  0.0164  0.0000     -0.0000  0.0164  0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0165  0.0000  0.0399      0.0096  0.0000  0.0000  0.0001  0.0002
 -0.0000  0.0001  0.0000 -0.0402  0.0002     -0.0000  0.0406  0.0000 -0.0001  0.0001
 
spin component  4
 
  0.6044 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0191
 -0.0000  0.5399  0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000 -0.0356 -0.0001
 -0.0001  0.0000  0.6066 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5402 -0.0000      0.0000  0.0356 -0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000 -0.0000  0.5493      0.0191  0.0001  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4667  v = -0.0054 -0.0120  0.0001  0.0301 -0.0009 -0.0001 -0.5911  0.0001 -0.0014 -0.0302      0.0000  0.0294 -0.0005  0.0123 -0.5496  0.0000  0.0006 -0.0001 -0.5877 -0.0119
  o =  0.4681  v =  0.0003 -0.0553 -0.0000  0.5746  0.0089  0.0001  0.0322 -0.0004  0.0092 -0.5695      0.0000  0.5772  0.0001  0.0558  0.0291 -0.0011 -0.0095  0.0001  0.0313 -0.0549
  o =  0.5633  v = -0.0085 -0.0002  0.3066 -0.0012 -0.0035  0.0004  0.4661 -0.0037 -0.4063  0.0090      0.0000  0.0092  0.3572  0.0007  0.0125 -0.0064 -0.4062  0.0003 -0.4802  0.0006
  o =  0.5669  v =  0.0060 -0.2271 -0.0009 -0.5872 -0.0011  0.0141 -0.0009 -0.4716  0.0014 -0.0352      0.0000  0.5500 -0.0045 -0.2080 -0.0084  0.0278  0.0003 -0.1805  0.0078  0.0212
  o =  0.5720  v = -0.0746  0.3017 -0.0076  0.1052 -0.0012 -0.5250 -0.0391 -0.0335  0.0082  0.2813      0.0000  0.1725  0.0015 -0.2847  0.0867 -0.2484  0.0079  0.0079 -0.0415 -0.5940
  o =  0.5732  v =  0.5955  0.0413  0.0082  0.0194  0.0000 -0.0700  0.3137  0.0009 -0.0065  0.0363      0.0000  0.0158  0.0080 -0.0335 -0.6637 -0.0323 -0.0063  0.0044  0.2996 -0.0759
  o =  0.6190  v = -0.0141 -0.0025  0.8682 -0.0006  0.0021 -0.0109 -0.0558 -0.0079  0.3274 -0.0067      0.0000 -0.0058  0.1544  0.0035 -0.0051 -0.0131  0.3281  0.0004  0.0606  0.0063
  o =  0.6203  v = -0.0223 -0.2911  0.0018 -0.2314  0.0003 -0.0174  0.0035  0.5097  0.0004 -0.0401      0.0000  0.1913  0.0055 -0.2817 -0.0131 -0.0762  0.0006  0.6909  0.0085  0.0105
  o =  0.6214  v =  0.0895  0.1469  0.0189  0.1376  0.0015  0.5510 -0.0268  0.0724  0.0075  0.3452      0.0000  0.2048  0.0028 -0.1773  0.0538  0.5810  0.0091  0.0328 -0.0247 -0.3267
  o =  0.6221  v =  0.7943 -0.0257  0.0097 -0.0223 -0.0003 -0.0598 -0.2357  0.0057  0.0062 -0.0405      0.0000 -0.0175  0.0006  0.0121  0.4957 -0.0672  0.0059  0.0144 -0.2336  0.0381
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6042  0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0191
  0.0000  0.5462 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000  0.0401 -0.0001
 -0.0001 -0.0000  0.6066  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5465 -0.0000     -0.0000 -0.0401  0.0000 -0.0000 -0.0002
  0.0000 -0.0001 -0.0000 -0.0000  0.5535     -0.0191  0.0001 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0094 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0094 -0.0000
 -0.0094  0.0003 -0.0000  0.0000  0.0002     -0.0000 -0.0002 -0.0163 -0.0000 -0.0412
 -0.0000  0.0000  0.0000 -0.0164  0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0162  0.0002 -0.0412      0.0094 -0.0000  0.0000 -0.0004  0.0002
 -0.0000 -0.0001  0.0000  0.0411  0.0004     -0.0000  0.0407  0.0000 -0.0001 -0.0004
 
spin component  3
 
  0.0000 -0.0094 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0094  0.0000
  0.0094  0.0003  0.0000  0.0000 -0.0001     -0.0000  0.0002 -0.0165  0.0000 -0.0407
 -0.0000 -0.0000  0.0000  0.0162  0.0000      0.0000  0.0163  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0164  0.0002  0.0411      0.0094  0.0000  0.0000  0.0004  0.0001
 -0.0000  0.0002  0.0000 -0.0412  0.0004      0.0000  0.0412 -0.0000 -0.0002  0.0004
 
spin component  4
 
  0.6038  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0001  0.0000 -0.0189
  0.0000  0.5399  0.0000 -0.0002  0.0001     -0.0000  0.0000 -0.0000 -0.0380 -0.0001
 -0.0001  0.0000  0.6062 -0.0000 -0.0000     -0.0001  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5397 -0.0000     -0.0000  0.0380  0.0000  0.0000 -0.0002
  0.0000  0.0001 -0.0000 -0.0000  0.5473      0.0189  0.0001  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4639  v = -0.0051  0.0309  0.0000  0.0199  0.0120  0.0003 -0.5914  0.0002  0.0123 -0.0191      0.0000  0.0172 -0.0002 -0.0291 -0.5433 -0.0000 -0.0135  0.0002 -0.5923  0.0308
  o =  0.4654  v =  0.0005  0.5226  0.0004  0.2444  0.0031  0.0000  0.0366 -0.0000  0.0018 -0.2435      0.0000  0.2432 -0.0000 -0.5224  0.0323 -0.0001 -0.0053  0.0003  0.0373  0.5215
  o =  0.5651  v = -0.0100  0.0048  0.4801  0.0048 -0.0002 -0.0104  0.0653 -0.0029 -0.6136  0.0196      0.0000  0.0119  0.0568 -0.0082  0.0171 -0.0133 -0.6144 -0.0012 -0.0799 -0.0160
  o =  0.5709  v =  0.0596 -0.6493  0.0067 -0.1594  0.0015  0.2122  0.0264 -0.0966 -0.0068 -0.1112      0.0000  0.0497 -0.0052 -0.4038 -0.0724  0.0930 -0.0077 -0.4903  0.0379  0.2459
  o =  0.5716  v = -0.0807 -0.0973 -0.0170  0.4083  0.0005 -0.1865 -0.0532  0.1215  0.0185  0.5576      0.0000  0.1491 -0.0086 -0.3099  0.0958 -0.4909  0.0168 -0.1948 -0.0350 -0.2130
  o =  0.5738  v =  0.5981  0.0525  0.0115  0.0729 -0.0003 -0.0529  0.2999  0.0294 -0.0086  0.0891      0.0000  0.0149  0.0005 -0.0010 -0.6575 -0.0838 -0.0093  0.0260  0.2985 -0.0554
  o =  0.6194  v = -0.0194 -0.0022  0.8097 -0.0170 -0.0020 -0.0382 -0.1205 -0.0121  0.3170 -0.0464      0.0000 -0.0279  0.3168  0.0185 -0.0076 -0.0825  0.3158 -0.0175  0.1270  0.0215
  o =  0.6203  v =  0.1011  0.2054  0.0943  0.1473 -0.0002  0.5544 -0.0280  0.0385  0.0397  0.3334      0.0000  0.1855  0.0014 -0.1186  0.0578  0.5704  0.0400 -0.1008 -0.0265 -0.3241
  o =  0.6215  v = -0.2019 -0.1634  0.0225 -0.3303  0.0001  0.0956  0.0641  0.6834  0.0085 -0.0226      0.0000  0.3083 -0.0143 -0.2242 -0.1264 -0.0404  0.0087  0.4152  0.0520 -0.0607
  o =  0.6220  v =  0.7620 -0.0714  0.0089 -0.1090  0.0003 -0.0442 -0.2286  0.1729  0.0063 -0.0533      0.0000  0.0566  0.0039 -0.0435  0.4871 -0.0821  0.0066  0.1202 -0.2255  0.0288
     EDDAV:  cpu time   77.5808: real time   78.3837
       DOS:  cpu time    0.0477: real time    0.0479
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.062   0.061   0.000   0.122
    2        0.062   0.061   0.000   0.122
    3        0.062   0.061   0.000   0.123
    4        0.062   0.061   0.000   0.123
    5        0.062   0.061   0.000   0.123
    6        0.062   0.061   0.000   0.123
    7        0.062   0.061   0.000   0.122
    8        0.062   0.061   0.000   0.122
    9        0.062   0.061   0.000   0.123
   10        0.062   0.061   0.000   0.123
   11        0.062   0.061   0.000   0.122
   12        0.062   0.061   0.000   0.122
   13        0.062   0.061   0.000   0.122
   14        0.062   0.061   0.000   0.123
   15        0.062   0.061   0.000   0.123
   16        0.062   0.061   0.000   0.123
   17        0.721   1.191   6.086   7.998
   18        0.721   1.192   5.824   7.737
   19        0.719   1.187   5.459   7.365
   20        0.717   1.185   5.431   7.333
   21        0.719   1.188   5.466   7.374
   22        0.719   1.188   5.466   7.374
   23        0.717   1.182   5.609   7.509
   24        0.717   1.182   5.611   7.510
   25        0.719   1.188   5.467   7.374
   26        0.719   1.188   5.467   7.374
   27        0.717   1.182   5.615   7.514
   28        0.717   1.182   5.615   7.515
   29        0.725   1.198   6.520   8.444
   30        0.720   1.190   5.965   7.875
   31        0.720   1.189   5.591   7.499
   32        0.719   1.188   5.514   7.422
   33        1.998   5.622   0.241   7.861
   34        1.997   5.621   0.237   7.855
   35        1.996   5.620   0.235   7.852
   36        1.996   5.620   0.235   7.851
   37        1.996   5.620   0.232   7.848
   38        1.996   5.620   0.233   7.849
   39        1.997   5.622   0.239   7.858
   40        1.998   5.623   0.243   7.864
   41        1.998   5.622   0.241   7.861
   42        1.997   5.621   0.237   7.855
   43        1.996   5.620   0.235   7.852
   44        1.996   5.620   0.235   7.851
   45        1.996   5.620   0.232   7.848
   46        1.996   5.620   0.233   7.848
   47        1.997   5.622   0.239   7.858
   48        1.998   5.623   0.243   7.864
   49        1.996   5.620   0.233   7.848
   50        1.996   5.620   0.233   7.848
   51        1.998   5.622   0.240   7.860
   52        1.998   5.623   0.242   7.862
   53        1.997   5.622   0.240   7.859
   54        1.997   5.621   0.238   7.857
   55        1.996   5.620   0.235   7.852
   56        1.996   5.620   0.235   7.851
   57        1.996   5.620   0.233   7.848
   58        1.996   5.620   0.233   7.848
   59        1.998   5.622   0.240   7.860
   60        1.998   5.623   0.242   7.862
   61        1.997   5.622   0.240   7.859
   62        1.997   5.621   0.238   7.857
   63        1.996   5.620   0.235   7.852
   64        1.996   5.620   0.235   7.851
   65        1.569   3.461   0.000   5.029
   66        1.568   3.425   0.000   4.993
   67        1.568   3.394   0.000   4.962
   68        1.568   3.401   0.000   4.969
   69        1.568   3.425   0.000   4.993
   70        1.569   3.461   0.000   5.029
   71        1.568   3.401   0.000   4.969
   72        1.568   3.394   0.000   4.962
   73        1.569   3.461   0.000   5.029
   74        1.568   3.425   0.000   4.993
   75        1.568   3.394   0.000   4.962
   76        1.568   3.401   0.000   4.969
   77        1.568   3.425   0.000   4.993
   78        1.569   3.461   0.000   5.029
   79        1.568   3.401   0.000   4.969
   80        1.568   3.394   0.000   4.962
   81        1.570   3.462   0.000   5.032
   82        1.569   3.421   0.000   4.989
   83        1.568   3.401   0.000   4.969
   84        1.568   3.407   0.000   4.975
   85        1.569   3.408   0.000   4.977
   86        1.568   3.399   0.000   4.968
   87        1.568   3.424   0.000   4.992
   88        1.569   3.460   0.000   5.029
   89        1.569   3.413   0.000   4.982
   90        1.569   3.413   0.000   4.982
   91        1.568   3.413   0.000   4.980
   92        1.568   3.412   0.000   4.980
   93        1.569   3.413   0.000   4.982
   94        1.569   3.414   0.000   4.982
   95        1.568   3.413   0.000   4.981
   96        1.568   3.412   0.000   4.979
   97        1.569   3.411   0.000   4.980
   98        1.569   3.412   0.000   4.981
   99        1.568   3.411   0.000   4.979
  100        1.568   3.410   0.000   4.978
  101        1.569   3.412   0.000   4.981
  102        1.569   3.411   0.000   4.980
  103        1.568   3.410   0.000   4.978
  104        1.568   3.411   0.000   4.979
  105        1.569   3.410   0.000   4.979
  106        1.569   3.410   0.000   4.979
  107        1.569   3.415   0.000   4.984
  108        1.569   3.415   0.000   4.984
  109        1.569   3.414   0.000   4.983
  110        1.569   3.413   0.000   4.982
  111        1.568   3.413   0.000   4.981
  112        1.568   3.413   0.000   4.981
  113        1.569   3.411   0.000   4.980
  114        1.569   3.412   0.000   4.981
  115        1.568   3.412   0.000   4.980
  116        1.568   3.411   0.000   4.979
  117        1.569   3.412   0.000   4.981
  118        1.569   3.411   0.000   4.980
  119        1.568   3.411   0.000   4.979
  120        1.568   3.412   0.000   4.980
  121        1.569   3.413   0.000   4.982
  122        1.569   3.413   0.000   4.982
  123        1.568   3.413   0.000   4.981
  124        1.568   3.412   0.000   4.980
  125        1.569   3.413   0.000   4.982
  126        1.569   3.413   0.000   4.982
  127        1.568   3.413   0.000   4.981
  128        1.568   3.412   0.000   4.980
  129        1.569   3.410   0.000   4.979
  130        1.569   3.410   0.000   4.979
  131        1.569   3.416   0.000   4.984
  132        1.569   3.416   0.000   4.984
  133        1.569   3.413   0.000   4.982
  134        1.569   3.413   0.000   4.982
  135        1.568   3.413   0.000   4.982
  136        1.568   3.413   0.000   4.982
  137        1.568   3.486   0.000   5.054
  138        1.569   3.450   0.000   5.018
  139        1.568   3.401   0.000   4.969
  140        1.567   3.392   0.000   4.959
  141        1.568   3.486   0.000   5.054
  142        1.569   3.450   0.000   5.018
  143        1.568   3.401   0.000   4.969
  144        1.567   3.392   0.000   4.959
  145        1.568   3.486   0.000   5.054
  146        1.569   3.449   0.000   5.018
  147        1.568   3.401   0.000   4.968
  148        1.567   3.391   0.000   4.959
  149        1.568   3.486   0.000   5.054
  150        1.569   3.449   0.000   5.018
  151        1.568   3.401   0.000   4.969
  152        1.567   3.391   0.000   4.959
  153        1.569   3.485   0.000   5.054
  154        1.569   3.452   0.000   5.022
  155        1.568   3.411   0.000   4.979
  156        1.568   3.400   0.000   4.967
  157        1.568   3.397   0.000   4.965
  158        1.568   3.407   0.000   4.976
  159        1.569   3.450   0.000   5.019
  160        1.569   3.486   0.000   5.055
--------------------------------------------------
tot        226.947 528.148  98.287 853.382
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5       -0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8       -0.000  -0.000   0.000  -0.000
    9       -0.000  -0.000   0.000  -0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17        0.000   0.000   0.016   0.016
   18       -0.000  -0.000  -0.018  -0.018
   19        0.000   0.000   0.002   0.002
   20        0.000   0.000   0.002   0.002
   21       -0.000  -0.000  -0.006  -0.006
   22       -0.000  -0.000  -0.008  -0.008
   23        0.000   0.000   0.027   0.028
   24        0.000   0.000   0.004   0.004
   25       -0.000  -0.000  -0.006  -0.006
   26       -0.000  -0.000  -0.008  -0.008
   27        0.000   0.000   0.024   0.024
   28        0.000   0.000   0.005   0.005
   29        0.000   0.000   0.009   0.010
   30       -0.000  -0.000  -0.018  -0.019
   31        0.000   0.000   0.001   0.001
   32        0.000   0.000   0.002   0.002
   33        0.000   0.000   0.000   0.000
   34       -0.000  -0.000  -0.000  -0.001
   35        0.000  -0.000   0.000   0.000
   36       -0.000  -0.000  -0.000  -0.001
   37       -0.000  -0.000  -0.000  -0.000
   38       -0.000   0.000   0.000   0.000
   39       -0.000   0.000  -0.000  -0.000
   40        0.000  -0.000   0.000   0.000
   41       -0.000   0.001   0.000   0.001
   42       -0.000   0.001   0.000   0.001
   43        0.000  -0.000   0.000  -0.000
   44        0.000  -0.000   0.000   0.000
   45       -0.000   0.001   0.000   0.001
   46       -0.000   0.000  -0.000   0.000
   47        0.000  -0.001  -0.000  -0.001
   48       -0.000  -0.000   0.000  -0.000
   49       -0.000   0.000  -0.000  -0.000
   50       -0.000   0.000  -0.000  -0.000
   51        0.000  -0.000   0.000   0.000
   52        0.000  -0.000   0.000   0.000
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000   0.000  -0.000  -0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57       -0.000   0.000  -0.000  -0.000
   58       -0.000   0.000  -0.000  -0.000
   59        0.000  -0.000   0.000   0.000
   60        0.000  -0.000   0.000   0.000
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000   0.000  -0.000  -0.000
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66       -0.000  -0.001   0.000  -0.001
   67       -0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69        0.000  -0.001   0.000  -0.001
   70        0.000   0.001   0.000   0.001
   71       -0.000   0.000   0.000  -0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74        0.000  -0.001   0.000  -0.001
   75       -0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77        0.000  -0.001   0.000  -0.001
   78        0.000   0.001   0.000   0.001
   79       -0.000  -0.000   0.000  -0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.001   0.000   0.002
   82        0.000  -0.001   0.000  -0.001
   83       -0.000  -0.000   0.000  -0.000
   84       -0.000  -0.000   0.000  -0.000
   85        0.000   0.000   0.000   0.000
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.001   0.000  -0.001
   88       -0.000   0.001   0.000   0.001
   89        0.000  -0.000   0.000  -0.000
   90        0.000   0.000   0.000   0.000
   91       -0.000   0.001   0.000   0.001
   92       -0.000   0.000   0.000   0.000
   93        0.000  -0.000   0.000  -0.000
   94        0.000   0.000   0.000   0.000
   95       -0.000   0.000   0.000   0.000
   96       -0.000   0.001   0.000   0.001
   97        0.000   0.000   0.000   0.000
   98        0.000  -0.000   0.000  -0.000
   99       -0.000   0.001   0.000   0.001
  100       -0.000   0.000   0.000   0.000
  101        0.000  -0.000   0.000  -0.000
  102        0.000   0.000   0.000   0.000
  103       -0.000   0.001   0.000   0.001
  104       -0.000   0.000   0.000   0.000
  105        0.000   0.000   0.000   0.000
  106        0.000  -0.000   0.000  -0.000
  107       -0.000   0.001   0.000   0.001
  108       -0.000   0.000   0.000   0.000
  109        0.000   0.000   0.000   0.000
  110        0.000   0.000   0.000   0.000
  111       -0.000   0.001   0.000   0.001
  112       -0.000  -0.000   0.000  -0.000
  113        0.000   0.000   0.000   0.000
  114        0.000  -0.000   0.000  -0.000
  115       -0.000   0.001   0.000   0.001
  116       -0.000   0.000   0.000   0.000
  117        0.000  -0.000   0.000  -0.000
  118        0.000   0.000   0.000   0.000
  119       -0.000   0.001   0.000   0.001
  120       -0.000   0.000   0.000   0.000
  121        0.000  -0.000   0.000  -0.000
  122        0.000  -0.000   0.000   0.000
  123       -0.000   0.001   0.000   0.001
  124       -0.000   0.000   0.000   0.000
  125        0.000  -0.000   0.000  -0.000
  126        0.000  -0.000   0.000   0.000
  127       -0.000   0.000   0.000   0.000
  128       -0.000   0.001   0.000   0.001
  129        0.000   0.000   0.000   0.000
  130        0.000  -0.000   0.000  -0.000
  131       -0.000   0.001   0.000   0.001
  132       -0.000   0.000   0.000   0.000
  133        0.000   0.000   0.000   0.000
  134        0.000   0.000   0.000   0.000
  135       -0.000   0.001   0.000   0.001
  136       -0.000   0.000   0.000   0.000
  137        0.000   0.001   0.000   0.001
  138        0.000  -0.001   0.000  -0.001
  139       -0.000   0.000   0.000   0.000
  140       -0.000  -0.000   0.000  -0.000
  141        0.000   0.001   0.000   0.001
  142       -0.000  -0.001   0.000  -0.001
  143       -0.000  -0.000   0.000  -0.000
  144        0.000   0.000   0.000   0.000
  145        0.000   0.001   0.000   0.001
  146        0.000  -0.001   0.000  -0.001
  147       -0.000   0.000   0.000   0.000
  148       -0.000  -0.000   0.000  -0.000
  149        0.000   0.001   0.000   0.001
  150        0.000  -0.001   0.000  -0.001
  151       -0.000  -0.000   0.000  -0.000
  152        0.000   0.000   0.000   0.000
  153        0.000   0.001   0.000   0.001
  154        0.000  -0.001   0.000  -0.001
  155       -0.000  -0.000   0.000  -0.000
  156       -0.000  -0.000   0.000  -0.000
  157        0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000  -0.002   0.000  -0.002
  160       -0.000   0.001   0.000   0.000
--------------------------------------------------
tot          0.000   0.013   0.030   0.044
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4       -0.000  -0.000   0.000  -0.000
    5       -0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8        0.000   0.000   0.000   0.000
    9       -0.000  -0.000   0.000  -0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12        0.000   0.000   0.000   0.000
   13        0.000   0.000   0.000   0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.014  -0.014
   18        0.000   0.000   0.001   0.001
   19        0.000   0.000   0.001   0.001
   20        0.000   0.000   0.003   0.003
   21       -0.000  -0.000  -0.000  -0.000
   22       -0.000  -0.000  -0.002  -0.003
   23        0.000   0.000   0.004   0.004
   24        0.000   0.000   0.003   0.003
   25       -0.000  -0.000  -0.000  -0.000
   26       -0.000  -0.000  -0.002  -0.002
   27        0.000   0.000   0.003   0.003
   28        0.000   0.000   0.002   0.002
   29       -0.000  -0.000  -0.009  -0.009
   30        0.000   0.000   0.001   0.001
   31        0.000   0.000   0.001   0.001
   32        0.000   0.000   0.002   0.002
   33        0.000   0.000  -0.000   0.000
   34        0.000   0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000  -0.000  -0.000
   37        0.000   0.000   0.000   0.000
   38        0.000  -0.000  -0.000  -0.001
   39        0.000  -0.000   0.000   0.000
   40        0.000  -0.000  -0.000  -0.000
   41       -0.000   0.000   0.000   0.000
   42       -0.000   0.000   0.000   0.000
   43       -0.000  -0.000  -0.000  -0.000
   44       -0.000  -0.000  -0.000  -0.000
   45       -0.000   0.000   0.000   0.000
   46        0.000   0.000   0.000   0.000
   47        0.000   0.000   0.000   0.000
   48       -0.000   0.000  -0.000  -0.000
   49       -0.000   0.000  -0.000  -0.000
   50        0.000   0.000  -0.000  -0.000
   51       -0.000  -0.000  -0.000  -0.000
   52        0.000  -0.000  -0.000  -0.000
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000   0.000  -0.000  -0.000
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57       -0.000   0.000  -0.000   0.000
   58        0.000   0.000  -0.000   0.000
   59       -0.000  -0.000  -0.000  -0.000
   60        0.000  -0.000  -0.000  -0.000
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000   0.000  -0.000  -0.000
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66        0.000  -0.000   0.000  -0.000
   67       -0.000   0.000   0.000  -0.000
   68       -0.000   0.000   0.000   0.000
   69       -0.000  -0.000   0.000  -0.000
   70        0.000  -0.001   0.000  -0.001
   71       -0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75       -0.000   0.000   0.000   0.000
   76       -0.000   0.000   0.000   0.000
   77        0.000   0.000   0.000   0.000
   78       -0.000  -0.001   0.000  -0.001
   79       -0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83       -0.000  -0.000   0.000  -0.000
   84        0.000   0.000   0.000   0.000
   85       -0.000   0.000   0.000   0.000
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.000   0.000  -0.000
   88        0.000  -0.001   0.000  -0.001
   89        0.000  -0.000   0.000  -0.000
   90        0.000  -0.000   0.000   0.000
   91       -0.000   0.000   0.000   0.000
   92        0.000   0.000   0.000   0.000
   93        0.000  -0.000   0.000  -0.000
   94        0.000   0.000   0.000   0.000
   95       -0.000   0.000   0.000   0.000
   96        0.000   0.000   0.000   0.000
   97        0.000   0.000   0.000   0.000
   98       -0.000  -0.000   0.000  -0.000
   99        0.000   0.000   0.000   0.000
  100       -0.000   0.000   0.000   0.000
  101       -0.000   0.000   0.000   0.000
  102        0.000  -0.000   0.000   0.000
  103       -0.000   0.000   0.000  -0.000
  104        0.000   0.000   0.000   0.000
  105        0.000  -0.000   0.000  -0.000
  106       -0.000  -0.000   0.000  -0.000
  107        0.000   0.000   0.000   0.000
  108       -0.000   0.000   0.000   0.000
  109        0.000   0.000   0.000   0.000
  110        0.000   0.000   0.000   0.000
  111       -0.000   0.000   0.000   0.000
  112       -0.000   0.000   0.000   0.000
  113        0.000   0.000   0.000   0.000
  114       -0.000  -0.000   0.000  -0.000
  115        0.000   0.000   0.000   0.000
  116       -0.000   0.000   0.000   0.000
  117       -0.000  -0.000   0.000  -0.000
  118        0.000  -0.000   0.000  -0.000
  119       -0.000   0.000   0.000   0.000
  120        0.000   0.000   0.000   0.000
  121       -0.000   0.000   0.000   0.000
  122        0.000   0.000   0.000   0.000
  123       -0.000   0.000   0.000  -0.000
  124        0.000   0.000   0.000   0.000
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.000   0.000   0.000
  127       -0.000   0.000   0.000   0.000
  128        0.000   0.000   0.000   0.000
  129        0.000   0.000   0.000   0.000
  130       -0.000  -0.000   0.000  -0.000
  131       -0.000   0.000   0.000   0.000
  132       -0.000   0.000   0.000   0.000
  133        0.000   0.000   0.000   0.000
  134        0.000   0.000   0.000   0.000
  135       -0.000   0.000   0.000   0.000
  136       -0.000   0.000   0.000   0.000
  137        0.000  -0.001   0.000  -0.001
  138       -0.000  -0.000   0.000  -0.000
  139       -0.000   0.000   0.000   0.000
  140       -0.000   0.000   0.000   0.000
  141        0.000  -0.001   0.000  -0.001
  142        0.000  -0.000   0.000  -0.000
  143       -0.000   0.000   0.000  -0.000
  144       -0.000   0.000   0.000   0.000
  145        0.000  -0.001   0.000  -0.001
  146        0.000   0.000   0.000   0.000
  147       -0.000   0.000   0.000   0.000
  148       -0.000   0.000   0.000   0.000
  149        0.000  -0.001   0.000  -0.001
  150        0.000   0.000   0.000   0.000
  151       -0.000   0.000   0.000   0.000
  152       -0.000   0.000   0.000   0.000
  153       -0.000  -0.001   0.000  -0.001
  154        0.000   0.000   0.000   0.000
  155       -0.000  -0.000   0.000  -0.000
  156       -0.000   0.000   0.000   0.000
  157       -0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000   0.000   0.000   0.000
  160        0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.000  -0.006  -0.007  -0.013
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5       -0.000  -0.000   0.000  -0.000
    6       -0.000  -0.000   0.000  -0.000
    7        0.000   0.000   0.000   0.000
    8        0.000   0.000   0.000   0.000
    9       -0.000  -0.000   0.000  -0.000
   10       -0.000  -0.000   0.000  -0.000
   11        0.000   0.000   0.000   0.000
   12        0.000   0.000   0.000   0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.049  -0.050
   18       -0.000  -0.000  -0.038  -0.038
   19        0.000   0.000   0.018   0.019
   20        0.000   0.000   0.029   0.029
   21        0.000   0.000   0.014   0.015
   22       -0.000  -0.000  -0.001  -0.001
   23       -0.000  -0.000  -0.007  -0.007
   24       -0.000  -0.000  -0.012  -0.012
   25        0.000   0.000   0.014   0.015
   26       -0.000  -0.000  -0.001  -0.001
   27       -0.000  -0.000  -0.008  -0.008
   28       -0.000  -0.000  -0.009  -0.009
   29       -0.000  -0.000  -0.033  -0.033
   30       -0.000  -0.000  -0.047  -0.048
   31        0.000   0.000   0.015   0.015
   32        0.000   0.000   0.021   0.022
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000   0.000  -0.000  -0.000
   35       -0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000  -0.000
   37        0.000  -0.000   0.000  -0.000
   38        0.000  -0.000   0.000  -0.000
   39       -0.000  -0.000  -0.001  -0.001
   40       -0.000   0.001   0.000   0.001
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000  -0.000  -0.000  -0.001
   43       -0.000  -0.000  -0.000  -0.000
   44        0.000   0.000   0.000   0.000
   45        0.000  -0.001  -0.000  -0.001
   46        0.000  -0.000   0.000   0.000
   47       -0.000   0.001  -0.000   0.001
   48       -0.000  -0.000  -0.001  -0.001
   49        0.000  -0.000   0.001   0.000
   50        0.000  -0.000   0.001   0.000
   51       -0.000   0.000  -0.001  -0.001
   52       -0.000   0.000  -0.001  -0.001
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.001
   55        0.000  -0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57        0.000  -0.000   0.001   0.000
   58        0.000  -0.000   0.001   0.000
   59       -0.000   0.000  -0.001  -0.001
   60       -0.000   0.000  -0.001  -0.001
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.001
   63        0.000  -0.000   0.000   0.000
   64        0.000  -0.000   0.000   0.000
   65        0.000  -0.004   0.000  -0.004
   66        0.000  -0.002   0.000  -0.002
   67       -0.000   0.000   0.000   0.000
   68       -0.000   0.001   0.000   0.001
   69        0.000  -0.002   0.000  -0.002
   70        0.000  -0.004   0.000  -0.004
   71       -0.000   0.001   0.000   0.001
   72       -0.000   0.000   0.000   0.000
   73        0.000  -0.004   0.000  -0.004
   74        0.000  -0.002   0.000  -0.002
   75       -0.000   0.000   0.000   0.000
   76       -0.000   0.001   0.000   0.001
   77        0.000  -0.002   0.000  -0.002
   78        0.000  -0.004   0.000  -0.004
   79       -0.000   0.001   0.000   0.001
   80       -0.000   0.000   0.000   0.000
   81       -0.000  -0.004   0.000  -0.004
   82       -0.000  -0.003   0.000  -0.003
   83        0.000   0.000   0.000   0.001
   84        0.000   0.001   0.000   0.001
   85       -0.000   0.001   0.000   0.001
   86       -0.000   0.000   0.000   0.000
   87        0.000  -0.002   0.000  -0.002
   88        0.000  -0.004   0.000  -0.004
   89       -0.000   0.000   0.000   0.000
   90       -0.000   0.000   0.000   0.000
   91        0.000  -0.000   0.000  -0.000
   92        0.000  -0.001   0.000  -0.001
   93       -0.000  -0.000   0.000  -0.000
   94       -0.000   0.000   0.000   0.000
   95        0.000  -0.000   0.000  -0.000
   96        0.000  -0.000   0.000  -0.000
   97       -0.000   0.000   0.000   0.000
   98       -0.000  -0.000   0.000  -0.000
   99        0.000  -0.000   0.000  -0.000
  100        0.000  -0.000   0.000  -0.000
  101       -0.000   0.000   0.000   0.000
  102       -0.000   0.000   0.000   0.000
  103        0.000  -0.000   0.000  -0.000
  104        0.000  -0.001   0.000  -0.001
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.000   0.000   0.000
  108        0.000   0.000   0.000   0.000
  109        0.000   0.001   0.000   0.001
  110        0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.001   0.000  -0.001
  113       -0.000   0.000   0.000   0.000
  114       -0.000  -0.000   0.000  -0.000
  115        0.000  -0.000   0.000  -0.000
  116        0.000  -0.000   0.000  -0.000
  117       -0.000   0.000   0.000   0.000
  118       -0.000   0.000   0.000  -0.000
  119        0.000  -0.000   0.000  -0.000
  120        0.000  -0.000   0.000  -0.000
  121       -0.000   0.000   0.000   0.000
  122       -0.000  -0.000   0.000  -0.000
  123        0.000  -0.000   0.000  -0.000
  124        0.000  -0.000   0.000  -0.000
  125       -0.000  -0.000   0.000  -0.000
  126       -0.000   0.000   0.000   0.000
  127        0.000  -0.000   0.000  -0.000
  128        0.000  -0.000   0.000  -0.000
  129       -0.000  -0.000   0.000  -0.000
  130       -0.000  -0.000   0.000  -0.001
  131        0.000   0.000   0.000   0.000
  132        0.000   0.000   0.000   0.000
  133        0.000   0.001   0.000   0.001
  134        0.000   0.000   0.000   0.000
  135       -0.000  -0.001   0.000  -0.001
  136       -0.000  -0.001   0.000  -0.001
  137        0.000  -0.002   0.000  -0.002
  138        0.000  -0.003   0.000  -0.003
  139       -0.000   0.000   0.000   0.000
  140       -0.000   0.000   0.000   0.000
  141        0.000  -0.003   0.000  -0.003
  142        0.000  -0.003   0.000  -0.003
  143       -0.000   0.001   0.000   0.000
  144       -0.000   0.000   0.000   0.000
  145        0.000  -0.002   0.000  -0.002
  146        0.000  -0.003   0.000  -0.003
  147       -0.000   0.001   0.000   0.000
  148       -0.000   0.000   0.000   0.000
  149        0.000  -0.003   0.000  -0.003
  150        0.000  -0.003   0.000  -0.003
  151       -0.000   0.001   0.000   0.001
  152       -0.000   0.000   0.000   0.000
  153       -0.000  -0.003   0.000  -0.003
  154       -0.000  -0.003   0.000  -0.003
  155        0.000   0.001   0.000   0.001
  156       -0.000   0.000   0.000   0.000
  157       -0.000   0.000   0.000   0.000
  158       -0.000   0.000   0.000   0.000
  159        0.000  -0.003   0.000  -0.003
  160        0.000  -0.002   0.000  -0.002
--------------------------------------------------
tot         -0.001  -0.066  -0.095  -0.163
 
    CHARGE:  cpu time    1.1544: real time    1.1650
    MIXING:  cpu time    0.0323: real time    0.0325
    --------------------------------------------
      LOOP:  cpu time   79.7301: real time   80.5519

 eigenvalue-minimisations  : 14024
 total energy-change (2. order) :-0.4921553E-01  (-0.7282725E-01)
 number of electron    1039.9999692 magnetization       0.0269956     -0.0023901     -0.0422709
 augmentation part       28.4588829 magnetization      -0.0093624      0.0094261      0.0922945

 Broyden mixing:
  rms(total) = 0.19676E+01    rms(broyden)= 0.19676E+01
  rms(prec ) = 0.21351E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6253
  2.0303  1.4461  0.9108  0.4814  0.3987  0.3987  0.2127  0.1557  0.1229  0.0956

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17399.20341187
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.12997669
  PAW double counting   =     84337.91078026   -83157.85055951
  entropy T*S    EENTRO =        -0.09933863
  eigenvalues    EBANDS =     -6114.98363429
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.56910657 eV

  energy without entropy =    -1066.46976793  energy(sigma->0) =    -1066.53599369


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.4742: real time    0.4796
    SETDIJ:  cpu time    0.4425: real time    0.4447
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6048 -0.0000 -0.0000  0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0187
 -0.0000  0.5384 -0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0000  0.0354 -0.0011
 -0.0000 -0.0000  0.6070  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0000  0.0000  0.5409 -0.0002      0.0000 -0.0354 -0.0000 -0.0000  0.0009
 -0.0000 -0.0001  0.0001 -0.0002  0.5474     -0.0187  0.0011 -0.0000 -0.0009  0.0000
 
spin component  2
 
  0.0001  0.0093 -0.0001 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0094 -0.0001
 -0.0093  0.0021 -0.0000 -0.0002  0.0001     -0.0000  0.0016 -0.0161 -0.0002 -0.0383
 -0.0000 -0.0000  0.0001 -0.0158  0.0000     -0.0000  0.0157  0.0001 -0.0000 -0.0000
 -0.0000 -0.0002  0.0162  0.0016 -0.0357      0.0093 -0.0001  0.0000  0.0019  0.0001
  0.0001  0.0000  0.0000  0.0379  0.0022     -0.0001  0.0399 -0.0000  0.0000  0.0022
 
spin component  3
 
  0.0001 -0.0093 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0093  0.0001
  0.0093  0.0021 -0.0000 -0.0002  0.0000     -0.0000 -0.0016 -0.0157  0.0001 -0.0399
 -0.0001 -0.0000  0.0001  0.0162  0.0000      0.0000  0.0161 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0158  0.0016  0.0379      0.0094  0.0002  0.0000 -0.0019 -0.0000
  0.0001  0.0001  0.0000 -0.0357  0.0022      0.0001  0.0383  0.0000 -0.0001 -0.0022
 
spin component  4
 
  0.6055  0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0189
  0.0001  0.5523  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0411 -0.0011
 -0.0000  0.0000  0.6076 -0.0000  0.0002     -0.0000  0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5541  0.0002      0.0000  0.0411 -0.0000  0.0000  0.0010
  0.0000  0.0001  0.0002  0.0002  0.5612      0.0189  0.0011 -0.0000 -0.0010  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4707  v =  0.0012  0.3725 -0.0020 -0.4659 -0.0082 -0.0068 -0.0796  0.0014  0.0018  0.4073      0.0000 -0.4834 -0.0000 -0.3555 -0.0882  0.0087  0.0170  0.0015 -0.0786  0.3123
  o =  0.4745  v = -0.0013  0.0601 -0.0004 -0.0523 -0.0398 -0.0021  0.5781  0.0019 -0.0372  0.0456      0.0000 -0.0696  0.0020 -0.0708  0.5751  0.0020  0.0418 -0.0012  0.5564  0.0492
  o =  0.5633  v = -0.1286  0.4399  0.0011 -0.4404  0.0003 -0.0056 -0.0820 -0.2961  0.0004 -0.0317      0.0000  0.3939  0.0054  0.4437  0.1988  0.0243  0.0004  0.3140 -0.0982 -0.0156
  o =  0.5698  v =  0.5004  0.0504  0.0296 -0.0566 -0.0005  0.1063  0.2753 -0.0982 -0.0338  0.1421      0.0000  0.1761 -0.0386  0.1811 -0.6195 -0.1032 -0.0325  0.0966  0.3671  0.1420
  o =  0.5756  v =  0.1474  0.1107 -0.4064 -0.1702  0.0069 -0.2044  0.0984 -0.0020  0.3999 -0.4073      0.0000 -0.1597  0.0263 -0.0721 -0.1524  0.3608  0.3919  0.0198  0.0477 -0.2312
  o =  0.5784  v =  0.1194  0.1865  0.3942 -0.0822 -0.0060 -0.3932  0.2340 -0.0012 -0.3519 -0.1941      0.0000 -0.0831  0.2076 -0.1548 -0.1130  0.1937 -0.3465  0.0197 -0.1337 -0.3941
  o =  0.6186  v = -0.4347 -0.2029  0.0004  0.2016  0.0006 -0.0434  0.0979 -0.5240  0.0025  0.0341      0.0000 -0.1637  0.0227 -0.1873 -0.2153  0.0799  0.0030  0.5597  0.1140  0.0225
  o =  0.6200  v =  0.6825 -0.0883  0.0458  0.0921  0.0006  0.1547 -0.1653 -0.3154  0.0215 -0.0719      0.0000 -0.1543 -0.0518 -0.1636  0.3647 -0.1362  0.0212  0.3226 -0.2100 -0.0770
  o =  0.6233  v = -0.1712  0.1026  0.5347 -0.1435  0.0025  0.2949  0.0718  0.0119  0.2741 -0.3196      0.0000 -0.1334 -0.0308 -0.0652 -0.1154 -0.4834  0.2688 -0.0413  0.0398 -0.1964
  o =  0.6253  v = -0.1138  0.1580 -0.5151 -0.0644 -0.0023  0.4468  0.1954 -0.0089 -0.2927 -0.1483      0.0000 -0.0682 -0.2752 -0.1314 -0.0879 -0.2055 -0.2878 -0.0245 -0.1154 -0.3204
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0001  0.5476  0.0000 -0.0001  0.0000      0.0000  0.0000  0.0000  0.0461  0.0013
 -0.0000  0.0000  0.6087 -0.0001 -0.0001     -0.0000 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5463  0.0006     -0.0000 -0.0461  0.0000 -0.0000 -0.0001
 -0.0000  0.0000 -0.0001  0.0006  0.5551     -0.0195 -0.0013 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0098  0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0098 -0.0032 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0169  0.0004 -0.0484
 -0.0000  0.0000 -0.0002 -0.0164 -0.0001      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0169 -0.0030 -0.0502      0.0097  0.0004  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.0512 -0.0032      0.0001  0.0502  0.0000 -0.0001 -0.0000
 
spin component  3
 
 -0.0001 -0.0098 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0098 -0.0032  0.0000 -0.0000 -0.0001     -0.0000  0.0000 -0.0164 -0.0004 -0.0502
  0.0000 -0.0000 -0.0002  0.0169 -0.0001     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0164 -0.0030  0.0512      0.0097 -0.0004  0.0000  0.0000  0.0001
  0.0000 -0.0000 -0.0001 -0.0502 -0.0032     -0.0001  0.0484 -0.0000  0.0000  0.0000
 
spin component  4
 
  0.6070 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0000 -0.0197
 -0.0001  0.5618  0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0514  0.0014
 -0.0000  0.0000  0.6092  0.0001 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5614 -0.0006     -0.0000  0.0514  0.0000  0.0000 -0.0000
  0.0000 -0.0000 -0.0001 -0.0006  0.5679      0.0197 -0.0014  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4550  v = -0.0013  0.5825 -0.0000  0.0109 -0.0011 -0.0067  0.1135 -0.0000 -0.0007 -0.0097      0.0000  0.0108  0.0015 -0.5887  0.1169 -0.0001  0.0011 -0.0003  0.0979  0.5269
  o =  0.4595  v =  0.0021  0.1060 -0.0000  0.0003 -0.0033 -0.0025 -0.5556 -0.0000 -0.0032 -0.0005      0.0000  0.0006  0.0010 -0.1261 -0.5772  0.0000  0.0033 -0.0019 -0.5674  0.0951
  o =  0.5760  v = -0.1635 -0.5778 -0.0010  0.0069 -0.0001  0.0360 -0.0880  0.0083 -0.0001 -0.0029      0.0000 -0.0097 -0.0091 -0.5358  0.1766  0.0023  0.0003 -0.5522 -0.0756  0.0337
  o =  0.5821  v =  0.6225 -0.0523  0.0094 -0.0012 -0.0001 -0.2265  0.3603  0.0014 -0.0069 -0.0053      0.0000 -0.0034  0.1138 -0.2341 -0.5077  0.0056 -0.0072 -0.1752  0.1759 -0.2031
  o =  0.5856  v = -0.2799  0.2026  0.0194 -0.0073 -0.0005 -0.5488  0.1816 -0.0051 -0.0128 -0.0128      0.0000 -0.0034  0.4067 -0.1543  0.1974  0.0164 -0.0138  0.0382 -0.3747 -0.4185
  o =  0.5877  v =  0.0521 -0.1395 -0.0168 -0.0063 -0.0008  0.4596  0.3914  0.0008  0.0109 -0.0158      0.0000 -0.0079  0.6050  0.1437 -0.0302  0.0225  0.0097  0.0075 -0.3597  0.3083
  o =  0.6254  v =  0.2217 -0.4065  0.0000  0.0050 -0.0008 -0.0548 -0.0811 -0.0113  0.0015 -0.0010      0.0000 -0.0061  0.0125 -0.3678  0.1476 -0.0036  0.0010  0.7834 -0.0607  0.0348
  o =  0.6298  v = -0.6207 -0.0412 -0.0066 -0.0004 -0.0002  0.2521  0.3498 -0.0016 -0.0042 -0.0027      0.0000 -0.0020 -0.1498 -0.2257 -0.4900 -0.0042 -0.0045  0.2182  0.1603 -0.2007
  o =  0.6337  v =  0.2543  0.2019 -0.0171 -0.0047  0.0000  0.4106  0.2328  0.0016 -0.0127 -0.0062      0.0000 -0.0005 -0.4723 -0.1404  0.2380 -0.0066 -0.0131 -0.0365 -0.4680 -0.3889
  o =  0.6365  v =  0.0751  0.2104  0.0078 -0.0004 -0.0003  0.4460 -0.4134  0.0020  0.0063  0.0026      0.0000  0.0025  0.4569 -0.2121  0.0765  0.0024  0.0061  0.0014  0.3363 -0.4554
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6063 -0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0190
 -0.0000  0.5553 -0.0000  0.0000 -0.0001      0.0000  0.0000 -0.0000  0.0421 -0.0002
 -0.0001 -0.0000  0.6085 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0000 -0.0000  0.5551  0.0000      0.0000 -0.0421 -0.0000 -0.0000 -0.0001
  0.0000 -0.0001 -0.0000  0.0000  0.5621     -0.0190  0.0002  0.0000  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0094  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0094  0.0000
 -0.0094  0.0003 -0.0000  0.0000  0.0000     -0.0000 -0.0002 -0.0160  0.0000 -0.0404
 -0.0000 -0.0000 -0.0000 -0.0163  0.0000      0.0000  0.0162 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0161  0.0003 -0.0403      0.0094 -0.0000  0.0000 -0.0002  0.0001
 -0.0000  0.0000  0.0000  0.0400  0.0003     -0.0000  0.0402  0.0000  0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0094 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0094  0.0000
  0.0094  0.0003 -0.0000  0.0000  0.0000     -0.0000  0.0002 -0.0162  0.0000 -0.0402
  0.0000 -0.0000 -0.0000  0.0161  0.0000     -0.0000  0.0160  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0163  0.0003  0.0400      0.0094 -0.0000  0.0000  0.0002 -0.0000
 -0.0000  0.0000  0.0000 -0.0403  0.0003     -0.0000  0.0404  0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6057  0.0000 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0188
  0.0000  0.5461 -0.0000 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0393 -0.0002
 -0.0000 -0.0000  0.6080 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5458 -0.0000      0.0000  0.0393 -0.0000  0.0000 -0.0001
 -0.0000  0.0001 -0.0000 -0.0000  0.5533      0.0188  0.0002 -0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4709  v =  0.0093  0.0181  0.0000 -0.0136  0.0011 -0.0001  0.5990 -0.0002  0.0013  0.0133      0.0000 -0.0114 -0.0003 -0.0203  0.5284 -0.0001 -0.0011 -0.0002  0.6002  0.0184
  o =  0.4731  v = -0.0005  0.2015 -0.0001 -0.5409 -0.0131 -0.0001 -0.0210 -0.0002 -0.0129  0.5402      0.0000 -0.5405 -0.0004 -0.2016 -0.0166  0.0002  0.0140 -0.0001 -0.0180  0.2014
  o =  0.5714  v =  0.0135  0.0078 -0.1377 -0.0119  0.0014 -0.0169 -0.5744 -0.0019  0.1589 -0.0253      0.0000 -0.0101 -0.5018 -0.0124 -0.0171  0.0203  0.1603 -0.0023  0.5879 -0.0218
  o =  0.5756  v = -0.0600  0.2336 -0.0258  0.2054 -0.0001 -0.4779 -0.0230  0.0090  0.0265  0.3940      0.0000  0.1884  0.0080 -0.2745  0.0678 -0.3706  0.0266 -0.0222 -0.0372 -0.5086
  o =  0.5785  v =  0.6078 -0.1378  0.0030 -0.0368  0.0001 -0.0411  0.2837 -0.0601 -0.0013  0.0377      0.0000  0.0732  0.0124 -0.1759 -0.6234 -0.0393 -0.0016 -0.1722  0.2553 -0.0396
  o =  0.5791  v = -0.1908 -0.5153  0.0004 -0.1843  0.0010  0.0397 -0.0856 -0.2024  0.0000 -0.0099      0.0000  0.1751 -0.0029 -0.4772  0.1894  0.0095 -0.0005 -0.5584 -0.0810  0.0377
  o =  0.6224  v = -0.0112  0.0126  0.2630 -0.0232 -0.0022  0.0444 -0.3453  0.0045  0.1145 -0.0417      0.0000 -0.0172  0.8074 -0.0124 -0.0071 -0.0686  0.1124 -0.0001  0.3515 -0.0258
  o =  0.6234  v =  0.0691  0.1783  0.0838  0.1638  0.0004  0.5799 -0.0142  0.0021  0.0383  0.3328      0.0000  0.1691 -0.0105 -0.1855  0.0427  0.5306  0.0388  0.0087 -0.0252 -0.3637
  o =  0.6256  v =  0.7555  0.0498 -0.0061  0.0068  0.0001 -0.0448 -0.2461 -0.0414 -0.0017 -0.0306      0.0000 -0.0368  0.0120  0.0816  0.5304 -0.0432 -0.0015 -0.1224 -0.2326  0.0326
  o =  0.6263  v = -0.1211  0.4168 -0.0029  0.1419  0.0001  0.0132  0.0407 -0.2447 -0.0012  0.0090      0.0000 -0.1331  0.0012  0.4068 -0.0884  0.0134 -0.0003 -0.7326  0.0407 -0.0099
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059 -0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0001 -0.0000  0.0192
 -0.0000  0.5562  0.0000 -0.0001  0.0002     -0.0000 -0.0000 -0.0000  0.0421 -0.0003
 -0.0000  0.0000  0.6082  0.0000  0.0001      0.0001  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0000  0.5566 -0.0000      0.0000 -0.0421  0.0000 -0.0000 -0.0004
  0.0000  0.0002  0.0001 -0.0000  0.5629     -0.0192  0.0003 -0.0000  0.0004  0.0000
 
spin component  2
 
 -0.0000  0.0095  0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0095 -0.0000
 -0.0095  0.0006 -0.0000  0.0001 -0.0001     -0.0000 -0.0007 -0.0160 -0.0000 -0.0403
  0.0000  0.0000 -0.0000 -0.0164  0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0160  0.0004 -0.0403      0.0095 -0.0000  0.0000 -0.0007 -0.0001
 -0.0000 -0.0001  0.0000  0.0394  0.0007     -0.0000  0.0392  0.0000 -0.0001 -0.0007
 
spin component  3
 
 -0.0000 -0.0095  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0095  0.0000
  0.0095  0.0006  0.0000  0.0001 -0.0001     -0.0000  0.0007 -0.0165  0.0000 -0.0392
  0.0000 -0.0000 -0.0000  0.0160  0.0000      0.0000  0.0160  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0164  0.0004  0.0394      0.0095  0.0000  0.0000  0.0007  0.0001
 -0.0000 -0.0001  0.0000 -0.0403  0.0007      0.0000  0.0403 -0.0000  0.0001  0.0007
 
spin component  4
 
  0.6052  0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0001  0.0000 -0.0190
  0.0000  0.5412 -0.0000  0.0000 -0.0002      0.0000  0.0000 -0.0000 -0.0362 -0.0003
 -0.0000 -0.0000  0.6076 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5417  0.0000     -0.0000  0.0362  0.0000  0.0000 -0.0004
  0.0000 -0.0002  0.0001  0.0000  0.5505      0.0190  0.0003  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4701  v =  0.0104 -0.0211  0.0000 -0.0232 -0.0008 -0.0003  0.6037 -0.0004 -0.0008  0.0234      0.0000 -0.0187  0.0003  0.0176  0.5217 -0.0003  0.0012 -0.0003  0.6006 -0.0215
  o =  0.4740  v = -0.0009 -0.4142 -0.0006 -0.3933 -0.0015 -0.0014 -0.0322  0.0002  0.0011  0.4046      0.0000 -0.3945 -0.0001  0.4135 -0.0245 -0.0012  0.0052 -0.0001 -0.0314 -0.4251
  o =  0.5656  v =  0.0052 -0.0068  0.1830  0.0215 -0.0013  0.0075  0.5748 -0.0012 -0.2438  0.0531      0.0000  0.0260  0.4303  0.0026 -0.0080 -0.0369 -0.2437 -0.0019 -0.5714  0.0109
  o =  0.5736  v = -0.0726  0.2699 -0.0403  0.2211 -0.0001 -0.4398 -0.0421 -0.0007  0.0427  0.4255      0.0000  0.2182 -0.0047 -0.2275  0.0855 -0.3880  0.0429  0.0224 -0.0336 -0.4822
  o =  0.5781  v = -0.5981  0.0657  0.0071  0.1451  0.0001  0.0653 -0.2517  0.1861 -0.0076 -0.0451      0.0000 -0.1885  0.0040  0.1272  0.6108  0.0475 -0.0078  0.1073 -0.2647  0.0618
  o =  0.5796  v =  0.2300  0.2596  0.0001  0.4506  0.0002  0.0009  0.0946  0.5143  0.0000  0.0233      0.0000 -0.4264  0.0003  0.2615 -0.2211 -0.0256 -0.0005  0.3055  0.0982  0.0004
  o =  0.6202  v = -0.0041 -0.0204  0.0737  0.0218  0.0013 -0.0713  0.3289  0.0004  0.0271  0.0426      0.0000  0.0197 -0.8731  0.0175 -0.0048  0.0797  0.0280  0.0041 -0.3259  0.0389
  o =  0.6223  v =  0.0966  0.1920  0.1079  0.1639  0.0001  0.5916 -0.0301 -0.0060  0.0465  0.3149      0.0000  0.1582  0.0076 -0.1697  0.0576  0.5269  0.0467 -0.0243 -0.0229 -0.3535
  o =  0.6256  v =  0.7248  0.0498 -0.0140  0.0859  0.0003 -0.0703 -0.2258 -0.1919 -0.0066 -0.0402      0.0000 -0.1252 -0.0056  0.0993  0.5165 -0.0555 -0.0064 -0.1342 -0.2329  0.0497
  o =  0.6269  v = -0.2222  0.2505 -0.0017  0.3559  0.0008 -0.0019  0.0753 -0.5969 -0.0010  0.0119      0.0000 -0.3437  0.0021  0.2516 -0.1666  0.0177 -0.0003 -0.4286  0.0763  0.0002
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0000 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0191
  0.0000  0.5494 -0.0000 -0.0002 -0.0001      0.0000 -0.0000  0.0000  0.0418 -0.0000
 -0.0001 -0.0000  0.6088 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5496  0.0003     -0.0000 -0.0418 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0003  0.5521     -0.0191  0.0000 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0094 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0094  0.0000
 -0.0093 -0.0013 -0.0000  0.0001  0.0003     -0.0000  0.0001 -0.0158  0.0004 -0.0414
 -0.0000  0.0000 -0.0001 -0.0160 -0.0000     -0.0000  0.0160 -0.0001 -0.0000 -0.0000
  0.0000 -0.0001  0.0158 -0.0011 -0.0413      0.0093 -0.0002  0.0000  0.0001  0.0003
  0.0000 -0.0003 -0.0000  0.0410 -0.0017      0.0001  0.0409  0.0000 -0.0003  0.0001
 
spin component  3
 
 -0.0001 -0.0093 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0093 -0.0001
  0.0094 -0.0013  0.0000 -0.0001 -0.0003     -0.0000 -0.0001 -0.0160  0.0002 -0.0409
 -0.0000 -0.0000 -0.0001  0.0158 -0.0000     -0.0000  0.0158  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0160 -0.0011  0.0410      0.0094 -0.0004  0.0000 -0.0001  0.0003
 -0.0000  0.0003 -0.0000 -0.0413 -0.0017     -0.0000  0.0414  0.0000 -0.0003 -0.0001
 
spin component  4
 
  0.6066 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0190
 -0.0000  0.5442 -0.0000 -0.0003  0.0000     -0.0000  0.0000  0.0000 -0.0409  0.0004
 -0.0001 -0.0000  0.6087  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5439  0.0003      0.0000  0.0409 -0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0000  0.0003  0.5463      0.0190 -0.0004  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4641  v =  0.0025  0.1675 -0.0002  0.0066  0.0094  0.0012  0.5647  0.0001  0.0103 -0.0068      0.0000  0.0070  0.0004 -0.1605  0.5321  0.0001 -0.0092  0.0008  0.5611  0.1697
  o =  0.4661  v = -0.0020  0.5482 -0.0000  0.0149 -0.0044  0.0022 -0.1659 -0.0001 -0.0048 -0.0155      0.0000  0.0153  0.0014 -0.5501 -0.1519  0.0001  0.0061 -0.0001 -0.1796  0.5596
  o =  0.5710  v =  0.0914  0.1860 -0.3278  0.1124 -0.0004 -0.2487  0.3642  0.0084  0.3905  0.2085      0.0000  0.0914  0.2576 -0.1260 -0.1200 -0.1649  0.3920  0.0261 -0.2511 -0.3112
  o =  0.5724  v = -0.1866 -0.2804 -0.0505  0.0200 -0.0009  0.4111  0.2225 -0.0347  0.0576  0.1206      0.0000  0.1022  0.2884  0.2320  0.2313 -0.1006  0.0571 -0.0205 -0.4408  0.4868
  o =  0.5746  v = -0.5187 -0.0443 -0.0453  0.0448 -0.0001 -0.2064 -0.3398  0.0375  0.0464  0.0107      0.0000 -0.0365 -0.0562 -0.2715  0.5997 -0.0094  0.0468 -0.1466 -0.2180 -0.2323
  o =  0.5760  v = -0.1652  0.5662 -0.0164 -0.1019  0.0005 -0.0303 -0.1025 -0.0730  0.0154 -0.0531      0.0000  0.0472 -0.0134  0.5370  0.1785  0.0513  0.0149  0.5386 -0.0718 -0.0323
  o =  0.6218  v =  0.1792 -0.1851 -0.3116 -0.0624 -0.0007 -0.5888 -0.2291  0.0260 -0.1281 -0.1064      0.0000 -0.0434  0.4444  0.1339  0.0944 -0.1968 -0.1294  0.0582  0.1388  0.3174
  o =  0.6225  v = -0.2425  0.1294 -0.0115 -0.0323 -0.0017  0.4454 -0.2161 -0.0341 -0.0045 -0.0898      0.0000 -0.0589  0.6522 -0.1258 -0.1361 -0.1620 -0.0063 -0.0073  0.3457 -0.2447
  o =  0.6236  v =  0.7142 -0.0413  0.0623  0.0160 -0.0006  0.2664 -0.2452 -0.0297  0.0304  0.0076      0.0000 -0.0098  0.0926 -0.1989  0.4288  0.0115  0.0299  0.2580 -0.1598 -0.1613
  o =  0.6243  v =  0.2439  0.3935  0.0117 -0.0335  0.0001  0.0435 -0.0941  0.0343  0.0076 -0.0325      0.0000  0.0003  0.0465  0.3669  0.1516 -0.0506  0.0078 -0.7781 -0.0532 -0.0282
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0190
  0.0000  0.5464  0.0000 -0.0003  0.0001     -0.0000  0.0000  0.0000  0.0411  0.0005
 -0.0001  0.0000  0.6088 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5461 -0.0003      0.0000 -0.0411 -0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0003  0.5488     -0.0190 -0.0005 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0093  0.0001
 -0.0093 -0.0017 -0.0000 -0.0001  0.0003     -0.0000  0.0004 -0.0159 -0.0002 -0.0409
  0.0000  0.0000 -0.0001 -0.0159  0.0000      0.0000  0.0159  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0159 -0.0014 -0.0411      0.0093  0.0004  0.0000  0.0006  0.0003
  0.0000 -0.0003 -0.0000  0.0409 -0.0020      0.0000  0.0412 -0.0000 -0.0003  0.0007
 
spin component  3
 
 -0.0001 -0.0093  0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0093 -0.0000
  0.0094 -0.0017  0.0000  0.0000 -0.0003     -0.0000 -0.0004 -0.0159 -0.0004 -0.0412
  0.0000 -0.0000 -0.0001  0.0159 -0.0000      0.0000  0.0159 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0159 -0.0014  0.0409      0.0093  0.0002  0.0000 -0.0006  0.0003
  0.0000  0.0003  0.0000 -0.0411 -0.0020     -0.0001  0.0409 -0.0000 -0.0003 -0.0007
 
spin component  4
 
  0.6068 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0190
 -0.0000  0.5470  0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0000 -0.0414 -0.0000
 -0.0001  0.0000  0.6088  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0003  0.0000  0.5472 -0.0004     -0.0000  0.0414 -0.0000  0.0000  0.0000
 -0.0000 -0.0000 -0.0000 -0.0004  0.5493      0.0190  0.0000  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4645  v =  0.0005 -0.3963  0.0008 -0.2220  0.0648 -0.0004 -0.3622  0.0000  0.0625  0.2189      0.0000 -0.2208 -0.0007  0.3852 -0.3563 -0.0000 -0.0690 -0.0011 -0.3565 -0.3880
  o =  0.4660  v = -0.0005  0.3266 -0.0005  0.1596  0.0510 -0.0013 -0.4456 -0.0002  0.0544 -0.1536      0.0000  0.1619  0.0005 -0.3409 -0.4383 -0.0004 -0.0495 -0.0013 -0.4506  0.3165
  o =  0.5716  v = -0.3677 -0.3714  0.1062 -0.2219  0.0019  0.2719 -0.3121 -0.1046 -0.1246 -0.1998      0.0000  0.0277 -0.0719 -0.0377  0.4611  0.1583 -0.1279 -0.1739 -0.1419  0.3418
  o =  0.5732  v =  0.1141  0.3286  0.1656 -0.4625  0.0064  0.0414  0.1257 -0.2677 -0.1791 -0.3372      0.0000  0.1388  0.0570  0.3767 -0.1377  0.2823 -0.1932  0.3158 -0.0018  0.0505
  o =  0.5741  v = -0.2423  0.1586  0.0888  0.1686 -0.0023  0.0023  0.3218  0.0556 -0.0986  0.2176      0.0000  0.0477  0.4234  0.1679  0.2792 -0.1889 -0.0954  0.1492 -0.6012 -0.0009
  o =  0.5747  v =  0.3391 -0.4141  0.1402  0.0302 -0.0017  0.3260  0.4037  0.0056 -0.1513  0.0453      0.0000  0.0195  0.2008 -0.0540 -0.3842 -0.0416 -0.1477 -0.2175 -0.0262  0.3688
  o =  0.6221  v = -0.5921  0.2169  0.1425  0.1002 -0.0001  0.4545  0.2136 -0.1151  0.0576  0.1108      0.0000  0.0081 -0.1316 -0.0235 -0.3195  0.2073  0.0588 -0.2315  0.1026 -0.2457
  o =  0.6228  v =  0.2036 -0.1891  0.2299  0.1591 -0.0012  0.3123 -0.0476 -0.1656  0.1001  0.1790      0.0000  0.0141 -0.0209 -0.3628  0.1216  0.3085  0.1050  0.6214 -0.0623 -0.1791
  o =  0.6233  v = -0.3405 -0.1350  0.1477 -0.1050 -0.0000 -0.0588 -0.1986  0.0815  0.0685 -0.1367      0.0000 -0.0305  0.6500 -0.1051 -0.1988 -0.2342  0.0664  0.2622  0.3960  0.0352
  o =  0.6236  v = -0.4124 -0.3057 -0.1989  0.0167 -0.0004 -0.4142  0.2898  0.0073 -0.0947  0.0369      0.0000  0.0219 -0.3619 -0.0629 -0.2461  0.0618 -0.0922  0.3987 -0.0473  0.2475
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6019 -0.0002 -0.0001  0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0201
 -0.0002  0.5486  0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0001  0.0444 -0.0024
 -0.0001  0.0000  0.6053  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0001  0.5487  0.0001      0.0000 -0.0444  0.0000  0.0000 -0.0004
  0.0000  0.0000  0.0000  0.0001  0.5594     -0.0201  0.0024 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0002  0.0099 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0002
 -0.0099  0.0053 -0.0000  0.0003 -0.0000      0.0000 -0.0006 -0.0168  0.0000 -0.0442
 -0.0000  0.0000  0.0003 -0.0167  0.0001     -0.0000  0.0167 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0168  0.0044 -0.0439      0.0099 -0.0008  0.0000 -0.0007 -0.0000
 -0.0000  0.0001  0.0001  0.0448  0.0066     -0.0002  0.0447  0.0000  0.0001 -0.0009
 
spin component  3
 
  0.0002 -0.0099 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0099  0.0002
  0.0099  0.0053  0.0000 -0.0001  0.0001     -0.0000  0.0006 -0.0167  0.0008 -0.0447
 -0.0000 -0.0000  0.0003  0.0168  0.0001      0.0000  0.0168  0.0000 -0.0000 -0.0000
 -0.0000  0.0003 -0.0167  0.0044  0.0448      0.0099 -0.0000  0.0000  0.0007 -0.0001
 -0.0000 -0.0000  0.0001 -0.0439  0.0066      0.0002  0.0442 -0.0000  0.0000  0.0009
 
spin component  4
 
  0.6020  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0001 -0.0000 -0.0201
  0.0001  0.5517  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001 -0.0455 -0.0015
 -0.0001  0.0000  0.6054 -0.0001  0.0000      0.0001  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5515  0.0002      0.0000  0.0455  0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000  0.0002  0.5634      0.0201  0.0015  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4629  v = -0.0009  0.4597  0.0013  0.1777  0.0740 -0.0039 -0.3411 -0.0001  0.0689 -0.1648      0.0000  0.1790 -0.0026 -0.4372 -0.3179 -0.0015 -0.0826  0.0023 -0.3171  0.4144
  o =  0.4658  v =  0.0048  0.3324  0.0004  0.0408  0.0127 -0.0068  0.4741 -0.0006  0.0113 -0.0367      0.0000  0.0457 -0.0021 -0.3651  0.4422 -0.0009 -0.0153 -0.0036  0.4936  0.2941
  o =  0.5724  v = -0.3956  0.4908  0.0079  0.0584  0.0003 -0.2312 -0.2719  0.0490 -0.0108  0.0196      0.0000 -0.0408 -0.0952  0.2698  0.4123 -0.0171 -0.0097  0.3843 -0.0910 -0.2428
  o =  0.5757  v = -0.1142 -0.1940  0.1607  0.0807  0.0036 -0.3355 -0.3535  0.0328 -0.1392  0.1178      0.0000  0.0169 -0.3266 -0.4554  0.0924 -0.1277 -0.1454 -0.3640  0.2297 -0.3154
  o =  0.5774  v = -0.3608 -0.1549 -0.1200 -0.0294 -0.0021 -0.1317  0.2313 -0.0452  0.0990  0.0149      0.0000  0.0472  0.4596 -0.2789  0.2964 -0.0196  0.0984 -0.2659 -0.5265 -0.1030
  o =  0.5810  v =  0.4335  0.2742 -0.0479  0.0517 -0.0007 -0.5563  0.2893  0.0319  0.0354  0.0622      0.0000  0.0032  0.2149 -0.0797 -0.3063 -0.0853  0.0342  0.1307 -0.0182 -0.4006
  o =  0.6219  v =  0.4724  0.3612 -0.0145  0.0303 -0.0002  0.3024 -0.2360 -0.0513 -0.0061  0.0133      0.0000 -0.0174  0.1609  0.1721  0.3268  0.0230 -0.0053 -0.5351 -0.0641 -0.2039
  o =  0.6243  v = -0.1007  0.1445  0.2877 -0.1216 -0.0014 -0.3102  0.2716  0.1256  0.1588 -0.1250      0.0000  0.0134 -0.4094  0.3557 -0.0672 -0.1576  0.1663 -0.4468 -0.1871  0.2428
  o =  0.6258  v =  0.3704 -0.1202  0.1350 -0.0245  0.0007  0.1891  0.1636  0.0558  0.0814  0.0158      0.0000  0.0417 -0.5056 -0.2736  0.2945  0.0198  0.0830  0.3182 -0.4566 -0.1452
  o =  0.6308  v =  0.3766 -0.3066 -0.0404 -0.0484 -0.0007 -0.4787 -0.3032  0.0245 -0.0293 -0.0667      0.0000 -0.0120  0.1799  0.1221  0.3736 -0.0677 -0.0298  0.1271 -0.0370  0.4725
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018  0.0000 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0200
  0.0000  0.5477  0.0000 -0.0000  0.0001     -0.0000  0.0000  0.0000  0.0442  0.0002
 -0.0001  0.0000  0.6051  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0000  0.5476 -0.0003     -0.0000 -0.0442  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0000 -0.0003  0.5583     -0.0200 -0.0002 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0000  0.0099  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0009 -0.0000 -0.0001 -0.0001     -0.0000 -0.0005 -0.0169 -0.0006 -0.0439
 -0.0000  0.0000  0.0000 -0.0167  0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0002  0.0168  0.0007 -0.0440      0.0099  0.0003  0.0000 -0.0006 -0.0001
 -0.0000  0.0001  0.0000  0.0447  0.0011     -0.0000  0.0448  0.0000  0.0001 -0.0007
 
spin component  3
 
 -0.0000 -0.0099 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0009  0.0000  0.0002  0.0001      0.0000  0.0005 -0.0167 -0.0003 -0.0448
  0.0000 -0.0000  0.0000  0.0168  0.0000      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0167  0.0007  0.0447      0.0099  0.0006  0.0000  0.0006 -0.0001
 -0.0000 -0.0001  0.0000 -0.0440  0.0011      0.0000  0.0439 -0.0000  0.0001  0.0007
 
spin component  4
 
  0.6020  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0202
  0.0001  0.5525 -0.0000 -0.0001 -0.0001      0.0000 -0.0000 -0.0000 -0.0459 -0.0008
 -0.0001 -0.0000  0.6054  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000  0.5525 -0.0000     -0.0000  0.0459  0.0000  0.0000 -0.0004
 -0.0000 -0.0001 -0.0000 -0.0000  0.5644      0.0202  0.0008  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4636  v = -0.0001 -0.0456 -0.0010 -0.5783 -0.1270  0.0006  0.0662  0.0001 -0.1239  0.5123      0.0000 -0.5785 -0.0005  0.0435  0.0682  0.0077  0.1319 -0.0003  0.0705 -0.0391
  o =  0.4653  v =  0.0039  0.1366  0.0001  0.0579  0.0056 -0.0020  0.5695 -0.0004  0.0055 -0.0514      0.0000  0.0610 -0.0001 -0.1391  0.5353 -0.0010 -0.0063 -0.0004  0.5711  0.1228
  o =  0.5740  v =  0.0487 -0.3703  0.0053 -0.4213  0.0010 -0.0138  0.0165 -0.4474 -0.0041 -0.0042      0.0000  0.4179 -0.0037 -0.3802 -0.0482  0.0033 -0.0034 -0.4001  0.0239 -0.0111
  o =  0.5762  v = -0.6656  0.0384  0.0274  0.0034  0.0005 -0.1495 -0.3076 -0.0340 -0.0263  0.0695      0.0000  0.0608 -0.0415 -0.0841  0.5813 -0.0772 -0.0257 -0.0268 -0.2361 -0.1326
  o =  0.5774  v = -0.1247 -0.1141 -0.4508 -0.0426 -0.0020  0.2811  0.2532 -0.0107  0.3716 -0.0784      0.0000 -0.0221  0.3661  0.0890  0.1012  0.0903  0.3698 -0.0143 -0.3486  0.2441
  o =  0.5790  v =  0.1373  0.2003 -0.2717  0.1241 -0.0002 -0.5371  0.1509  0.0044  0.2104  0.2736      0.0000  0.1152  0.1296 -0.1746 -0.1074 -0.3429  0.2120  0.0140 -0.0512 -0.4291
  o =  0.6232  v = -0.0636 -0.2552 -0.0100 -0.3364 -0.0001  0.0069  0.0172  0.6305 -0.0063 -0.0008      0.0000  0.3358  0.0078 -0.2618 -0.0478 -0.0029 -0.0064  0.4850  0.0259 -0.0074
  o =  0.6251  v =  0.6837  0.0456 -0.0765  0.0058 -0.0006  0.1770 -0.3156  0.0466 -0.0431  0.0714      0.0000  0.0611  0.0987 -0.0860  0.5412  0.0910 -0.0434  0.0351 -0.1988 -0.1409
  o =  0.6257  v =  0.1596 -0.0718  0.4984 -0.0234  0.0017 -0.1738  0.2484  0.0243  0.3035 -0.0247      0.0000  0.0029 -0.5100  0.0521  0.1315 -0.0282  0.3055  0.0165 -0.3738  0.1446
  o =  0.6280  v = -0.1525  0.2271  0.1890  0.1405 -0.0010  0.5436  0.1294 -0.0102  0.1266  0.2987      0.0000  0.1289 -0.0976 -0.2101 -0.1344  0.3348  0.1272 -0.0142 -0.0017 -0.4851
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0191
  0.0001  0.5495 -0.0000  0.0001 -0.0001      0.0000  0.0000  0.0000  0.0419  0.0005
 -0.0000 -0.0000  0.6089  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0000  0.5496 -0.0004      0.0000 -0.0419  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000 -0.0004  0.5521     -0.0191 -0.0005  0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0094  0.0001
 -0.0094 -0.0014 -0.0000  0.0001 -0.0002      0.0000  0.0001 -0.0158 -0.0002 -0.0415
 -0.0000 -0.0000 -0.0000 -0.0160 -0.0000      0.0000  0.0160  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0158 -0.0011 -0.0413      0.0093  0.0004 -0.0000  0.0001 -0.0002
  0.0000  0.0002 -0.0000  0.0410 -0.0017      0.0000  0.0409 -0.0000  0.0002  0.0001
 
spin component  3
 
 -0.0001 -0.0094 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0093 -0.0000
  0.0094 -0.0014 -0.0000 -0.0001  0.0002      0.0000 -0.0001 -0.0160 -0.0004 -0.0409
  0.0001 -0.0000 -0.0000  0.0158 -0.0000     -0.0000  0.0158 -0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0160 -0.0011  0.0410      0.0094  0.0002 -0.0000 -0.0001 -0.0002
  0.0000 -0.0002 -0.0000 -0.0413 -0.0017     -0.0001  0.0415  0.0000  0.0002 -0.0001
 
spin component  4
 
  0.6067 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0190
 -0.0000  0.5442 -0.0000  0.0003  0.0000     -0.0000 -0.0000  0.0000 -0.0410 -0.0000
 -0.0000 -0.0000  0.6087  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0003  0.0000  0.5440 -0.0003     -0.0000  0.0410  0.0000  0.0000  0.0001
  0.0000  0.0000 -0.0000 -0.0003  0.5461      0.0190  0.0000 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4639  v =  0.0027  0.1728 -0.0000  0.0055  0.0042  0.0018  0.5632  0.0002  0.0041 -0.0055      0.0000  0.0051  0.0003 -0.1592  0.5295  0.0002 -0.0040  0.0013  0.5611  0.1796
  o =  0.4659  v = -0.0015  0.5441 -0.0002  0.0510  0.0096  0.0023 -0.1709 -0.0000  0.0101 -0.0514      0.0000  0.0502  0.0009 -0.5483 -0.1617  0.0002 -0.0078 -0.0003 -0.1782  0.5550
  o =  0.5713  v =  0.0867  0.1880  0.1916 -0.0926  0.0009 -0.2583  0.5032 -0.0052 -0.2251 -0.1730      0.0000 -0.0798  0.3782 -0.1364 -0.1096  0.1377 -0.2283  0.0229 -0.3952 -0.3216
  o =  0.5722  v = -0.1909 -0.2918 -0.0457 -0.0359 -0.0000  0.4133  0.2105  0.0177  0.0529 -0.1102      0.0000 -0.0775  0.2811  0.2241  0.2371  0.0908  0.0514 -0.0292 -0.4412  0.4968
  o =  0.5746  v =  0.4967  0.0967 -0.0505  0.0288 -0.0006  0.2109  0.3080  0.0263  0.0547  0.0007      0.0000 -0.0275  0.0397  0.3353 -0.5780 -0.0006  0.0550  0.2023  0.2229  0.2347
  o =  0.5761  v =  0.2214 -0.5604 -0.0165 -0.0580  0.0004  0.0465  0.1302 -0.0420  0.0164 -0.0305      0.0000  0.0277  0.0112 -0.5116 -0.2385  0.0284  0.0154 -0.5264  0.1062  0.0486
  o =  0.6220  v =  0.2123 -0.2115  0.1035  0.0403 -0.0008 -0.6844 -0.2254 -0.0256  0.0438  0.0584      0.0000  0.0179  0.4093  0.1611  0.1119  0.1091  0.0441  0.0572  0.1141  0.3691
  o =  0.6224  v = -0.2149  0.1010 -0.2238  0.0461 -0.0009  0.3192 -0.2416  0.0083 -0.0965  0.0955      0.0000  0.0512  0.7008 -0.0797 -0.1190  0.1751 -0.0959 -0.0254  0.3567 -0.1751
  o =  0.6236  v = -0.6762  0.0840  0.0883  0.0316 -0.0001 -0.2619  0.2253 -0.0662  0.0404 -0.0002      0.0000 -0.0313 -0.0759  0.2417 -0.4063 -0.0005  0.0409 -0.3482  0.1549  0.1562
  o =  0.6244  v =  0.3343  0.3821 -0.0208  0.0671  0.0001  0.0688 -0.1157 -0.1120 -0.0118  0.0248      0.0000 -0.0427  0.0331  0.3381  0.2061  0.0403 -0.0101 -0.7315 -0.0863 -0.0437
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0190
  0.0000  0.5465 -0.0000  0.0002  0.0001     -0.0000 -0.0000  0.0000  0.0413  0.0000
 -0.0000 -0.0000  0.6089 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0002 -0.0000  0.5463  0.0004     -0.0000 -0.0413 -0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000  0.0004  0.5487     -0.0190 -0.0000  0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0093  0.0000
 -0.0093 -0.0018 -0.0000 -0.0001 -0.0002      0.0000  0.0004 -0.0159  0.0004 -0.0411
  0.0000 -0.0000 -0.0000 -0.0159 -0.0000     -0.0000  0.0159  0.0000  0.0000  0.0000
 -0.0000  0.0001  0.0159 -0.0014 -0.0413      0.0094 -0.0002 -0.0000  0.0005 -0.0002
  0.0000  0.0002 -0.0000  0.0412 -0.0021      0.0001  0.0413 -0.0000  0.0002  0.0006
 
spin component  3
 
 -0.0001 -0.0093  0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0094 -0.0001
  0.0094 -0.0018 -0.0000  0.0001  0.0002      0.0000 -0.0004 -0.0159  0.0002 -0.0413
  0.0000 -0.0000 -0.0000  0.0159 -0.0000     -0.0000  0.0159 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0159 -0.0014  0.0412      0.0093 -0.0004 -0.0000 -0.0005 -0.0002
  0.0000 -0.0002 -0.0000 -0.0413 -0.0021     -0.0000  0.0411 -0.0000  0.0002 -0.0006
 
spin component  4
 
  0.6068 -0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0191
 -0.0001  0.5471  0.0000  0.0002  0.0000      0.0000  0.0000  0.0000 -0.0416  0.0005
 -0.0000  0.0000  0.6089  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0002  0.0000  0.5473  0.0003      0.0000  0.0416 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.0003  0.5493      0.0191 -0.0005  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4641  v = -0.0010  0.4333 -0.0005  0.1038  0.0185  0.0001  0.3789  0.0003  0.0225 -0.1013      0.0000  0.1001  0.0012 -0.4269  0.3761  0.0001 -0.0171  0.0007  0.3668  0.4222
  o =  0.4657  v =  0.0007 -0.3664  0.0005 -0.0765  0.0341  0.0009  0.4378  0.0003  0.0317  0.0747      0.0000 -0.0807 -0.0010  0.3742  0.4282  0.0002 -0.0363  0.0008  0.4483 -0.3583
  o =  0.5720  v = -0.3760 -0.3653  0.0026 -0.0468 -0.0009  0.3431 -0.3902 -0.0075 -0.0047 -0.0748      0.0000 -0.0283 -0.1377  0.0541  0.4669  0.0611 -0.0025 -0.1333 -0.0700  0.4246
  o =  0.5731  v =  0.1675  0.1623  0.0158  0.3986 -0.0017  0.2495 -0.0971  0.3076 -0.0207  0.1077      0.0000 -0.2937 -0.1705  0.4452 -0.2028 -0.0897 -0.0158  0.2695  0.2860  0.3012
  o =  0.5741  v = -0.2742  0.2852 -0.2295  0.1468 -0.0002 -0.0572  0.1748  0.1516  0.2510 -0.0328      0.0000 -0.1860  0.3054  0.2342  0.3149  0.0300  0.2510  0.2372 -0.4910 -0.0722
  o =  0.5751  v =  0.2795 -0.3167 -0.2411 -0.1629 -0.0002  0.3107  0.3777 -0.0568  0.2549 -0.2047      0.0000 -0.0424  0.2104  0.0236 -0.3128  0.1838  0.2551 -0.1382 -0.0699  0.3469
  o =  0.6223  v = -0.5887  0.2035  0.0049  0.0324  0.0006  0.5251  0.2447 -0.0091  0.0019  0.0577      0.0000  0.0249 -0.2052 -0.0788 -0.3203  0.1066  0.0011 -0.1498  0.0711 -0.2854
  o =  0.6229  v = -0.3388  0.0858 -0.1227  0.1636 -0.0009 -0.4045 -0.0369 -0.3427 -0.0551  0.0251      0.0000 -0.1381  0.2939  0.3085 -0.1955  0.0454 -0.0543 -0.4478  0.2246  0.2347
  o =  0.6234  v =  0.3124  0.2221  0.2866  0.1314 -0.0004  0.0541  0.1199 -0.3016  0.1310 -0.0086      0.0000 -0.1423 -0.4618  0.1966  0.1826 -0.0182  0.1308 -0.4604 -0.3033 -0.0349
  o =  0.6240  v =  0.3440  0.2395 -0.3645  0.1017  0.0002  0.4068 -0.2730 -0.0701 -0.1721  0.1366      0.0000  0.0348  0.3626 -0.0017  0.2079  0.2287 -0.1727 -0.2548  0.0681 -0.2456
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0200
 -0.0001  0.5489  0.0000 -0.0003  0.0000      0.0000 -0.0000 -0.0001  0.0436 -0.0010
 -0.0001  0.0000  0.6048  0.0001 -0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0001  0.5487 -0.0003      0.0000 -0.0436  0.0000  0.0000 -0.0003
 -0.0000  0.0000 -0.0000 -0.0003  0.5591     -0.0200  0.0010 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0002
 -0.0099  0.0046 -0.0000  0.0002  0.0001     -0.0000 -0.0005 -0.0168 -0.0008 -0.0432
 -0.0000  0.0000  0.0003 -0.0167  0.0001     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0168  0.0038 -0.0432      0.0099  0.0001  0.0000 -0.0006  0.0001
 -0.0000 -0.0002  0.0001  0.0437  0.0057     -0.0001  0.0439  0.0000 -0.0002 -0.0007
 
spin component  3
 
  0.0002 -0.0099 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0046  0.0000 -0.0001 -0.0002     -0.0000  0.0005 -0.0167 -0.0001 -0.0439
  0.0000 -0.0000  0.0003  0.0168  0.0001      0.0000  0.0168  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0038  0.0437      0.0099  0.0008  0.0000  0.0006  0.0002
 -0.0000  0.0001  0.0001 -0.0432  0.0057      0.0002  0.0432 -0.0000 -0.0001  0.0007
 
spin component  4
 
  0.6020  0.0002 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0200
  0.0002  0.5521 -0.0000 -0.0002  0.0000     -0.0000  0.0000 -0.0001 -0.0448 -0.0020
 -0.0001 -0.0000  0.6049 -0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5523  0.0000      0.0000  0.0448  0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.0000  0.5631      0.0200  0.0020  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4648  v =  0.0003 -0.0994 -0.0032 -0.4837 -0.2944  0.0011  0.1024  0.0015 -0.2814  0.4473      0.0000 -0.4974  0.0004  0.0909  0.0988  0.0053  0.3111 -0.0009  0.0999 -0.0862
  o =  0.4677  v = -0.0054 -0.3122 -0.0004 -0.0274 -0.0216  0.0060 -0.4897  0.0006 -0.0211  0.0246      0.0000 -0.0320  0.0021  0.3381 -0.4555  0.0008  0.0241  0.0029 -0.5086 -0.2800
  o =  0.5727  v = -0.3768  0.4799  0.0324  0.1317  0.0016 -0.2354 -0.2947  0.1102 -0.0330  0.0564      0.0000 -0.0835 -0.1328  0.2573  0.3850 -0.0527 -0.0346  0.3824 -0.0471 -0.2434
  o =  0.5749  v =  0.1532  0.1988 -0.0412  0.1420  0.0008  0.3395  0.3537  0.1628  0.0382 -0.0044      0.0000 -0.1464  0.3082  0.4744 -0.1346  0.0066  0.0322  0.3733 -0.1993  0.3271
  o =  0.5770  v =  0.4227  0.1287  0.0781  0.0521  0.0030  0.0361 -0.2172  0.0537 -0.0643  0.0185      0.0000 -0.0388 -0.4715  0.1879 -0.3563 -0.0202 -0.0637  0.1951  0.5577  0.0211
  o =  0.5801  v =  0.3659  0.2571 -0.0293  0.0184 -0.0014 -0.5727  0.3210 -0.0007  0.0216  0.0405      0.0000  0.0170  0.2755 -0.1232 -0.2683 -0.0534  0.0228  0.0888 -0.0810 -0.4294
  o =  0.6220  v =  0.4470  0.3628 -0.0510  0.0773  0.0004  0.3030 -0.2576 -0.1182 -0.0242  0.0406      0.0000 -0.0406  0.2118  0.1692  0.3112  0.0611 -0.0245 -0.5151 -0.0298 -0.2075
  o =  0.6237  v =  0.1416 -0.1694 -0.1107 -0.0595 -0.0023  0.3467 -0.2807  0.1261 -0.0632  0.0302      0.0000  0.0859  0.4059 -0.4023  0.0978  0.0381 -0.0639  0.5174  0.1709 -0.2639
  o =  0.6254  v = -0.4299  0.0931 -0.1027  0.0470  0.0003 -0.1041 -0.1645 -0.0687 -0.0624  0.0163      0.0000 -0.0344  0.5375  0.1849 -0.3424  0.0196 -0.0641 -0.2239  0.4957  0.0716
  o =  0.6295  v =  0.3425 -0.2860 -0.0275 -0.0198 -0.0002 -0.5128 -0.3194 -0.0011 -0.0180 -0.0472      0.0000 -0.0226  0.2341  0.1535  0.3265 -0.0498 -0.0199  0.0956  0.0180  0.4841
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0001  0.5488 -0.0000 -0.0003  0.0001     -0.0000 -0.0000 -0.0000  0.0437 -0.0009
 -0.0001 -0.0000  0.6048 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0003 -0.0000  0.5490  0.0001      0.0000 -0.0437 -0.0000 -0.0000  0.0001
 -0.0000  0.0001  0.0000  0.0001  0.5587     -0.0199  0.0009 -0.0000 -0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0099 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0011 -0.0000 -0.0001  0.0002     -0.0000 -0.0003 -0.0168  0.0002 -0.0432
  0.0000  0.0000  0.0000 -0.0167  0.0000     -0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0002  0.0168  0.0009 -0.0429      0.0099 -0.0006  0.0000 -0.0003  0.0001
 -0.0000 -0.0002  0.0000  0.0439  0.0015     -0.0001  0.0437  0.0000 -0.0002 -0.0004
 
spin component  3
 
  0.0000 -0.0099  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0011  0.0000  0.0002 -0.0002     -0.0000  0.0003 -0.0167  0.0006 -0.0437
 -0.0000 -0.0000  0.0000  0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0167  0.0009  0.0439      0.0099 -0.0002  0.0000  0.0003  0.0002
 -0.0000  0.0002  0.0000 -0.0429  0.0015      0.0000  0.0432  0.0000 -0.0001  0.0004
 
spin component  4
 
  0.6019 -0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0201
 -0.0000  0.5523 -0.0000 -0.0003 -0.0001      0.0000  0.0000 -0.0000 -0.0447  0.0000
 -0.0001 -0.0000  0.6050 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003 -0.0000  0.5520  0.0002      0.0000  0.0447 -0.0000  0.0000 -0.0003
  0.0000 -0.0001  0.0000  0.0002  0.5636      0.0201 -0.0000  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4657  v = -0.0014  0.5662  0.0005  0.0007 -0.0527 -0.0072 -0.1853  0.0002 -0.0554  0.0011      0.0000 -0.0017 -0.0005 -0.5630 -0.1715 -0.0001  0.0524  0.0004 -0.1809  0.5072
  o =  0.4671  v =  0.0043  0.1809  0.0002  0.0623 -0.0213 -0.0033  0.5564 -0.0001 -0.0220 -0.0554      0.0000  0.0629 -0.0002 -0.1906  0.5224 -0.0009  0.0216 -0.0011  0.5577  0.1586
  o =  0.5740  v =  0.2254 -0.5458 -0.0103 -0.0597  0.0006  0.0537  0.0849 -0.0485  0.0103 -0.0330      0.0000  0.0308 -0.0128 -0.4992 -0.2202  0.0310  0.0107 -0.5649  0.1102  0.0532
  o =  0.5761  v =  0.5746  0.1083 -0.1805  0.0010  0.0001  0.1998  0.1955  0.0280  0.1564 -0.0500      0.0000 -0.0460 -0.0499  0.2666 -0.5065  0.0572  0.1571  0.2180  0.2815  0.1808
  o =  0.5767  v =  0.2182  0.0476  0.5999  0.0411  0.0002 -0.0060  0.1448  0.0000 -0.4995  0.0975      0.0000  0.0388  0.0700  0.0449 -0.1839 -0.1088 -0.5008  0.0541  0.0278 -0.0057
  o =  0.5783  v = -0.2105 -0.2521  0.0963 -0.0177  0.0006  0.6656 -0.1468  0.0215 -0.0771 -0.0747      0.0000 -0.0474 -0.0906  0.2295  0.1714  0.0903 -0.0761 -0.0138 -0.0040  0.5472
  o =  0.6230  v = -0.2495 -0.4201  0.0257 -0.0619  0.0007 -0.0641  0.0797  0.0915  0.0130 -0.0276      0.0000  0.0370  0.0114 -0.3779 -0.1838 -0.0401  0.0137  0.7395  0.0896  0.0466
  o =  0.6247  v =  0.5101 -0.0656 -0.4355  0.0046  0.0003  0.1909 -0.1200  0.0343 -0.2559  0.0570      0.0000  0.0468 -0.1173 -0.2014  0.3963  0.0713 -0.2561  0.2268 -0.2589 -0.1498
  o =  0.6251  v = -0.3981  0.0420 -0.5971  0.0324 -0.0001 -0.1009  0.2206 -0.0237 -0.3600  0.0452      0.0000  0.0052 -0.1146  0.1162 -0.3171  0.0556 -0.3606 -0.1319  0.0826  0.0807
  o =  0.6271  v = -0.2147  0.2669  0.0641  0.0231  0.0007  0.6477  0.1290  0.0221  0.0418  0.0864      0.0000  0.0550 -0.0666 -0.2449 -0.1867  0.0994  0.0419 -0.0173  0.0413 -0.5623
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6056  0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0191
  0.0000  0.5486 -0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0000  0.0413 -0.0004
 -0.0001 -0.0000  0.6078  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5493  0.0002      0.0000 -0.0413 -0.0000 -0.0000  0.0003
 -0.0000  0.0000  0.0001  0.0002  0.5543     -0.0191  0.0004 -0.0000 -0.0003 -0.0000
 
spin component  2
 
  0.0001  0.0094 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0095 -0.0000
 -0.0094  0.0003 -0.0000 -0.0000  0.0000     -0.0000  0.0007 -0.0164  0.0000 -0.0416
 -0.0000  0.0000  0.0001 -0.0164 -0.0000     -0.0000  0.0163  0.0001 -0.0000  0.0000
  0.0000 -0.0000  0.0165  0.0003 -0.0408      0.0095  0.0000  0.0000  0.0005  0.0000
  0.0000 -0.0000 -0.0000  0.0410  0.0006     -0.0000  0.0416 -0.0000 -0.0000  0.0007
 
spin component  3
 
  0.0001 -0.0094 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0095  0.0000
  0.0094  0.0003  0.0000 -0.0000 -0.0000     -0.0000 -0.0007 -0.0163 -0.0000 -0.0416
 -0.0000 -0.0000  0.0001  0.0165 -0.0000     -0.0000  0.0164 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0164  0.0003  0.0410      0.0095 -0.0000  0.0000 -0.0005  0.0000
  0.0000  0.0000 -0.0000 -0.0408  0.0006      0.0000  0.0416 -0.0000 -0.0000 -0.0007
 
spin component  4
 
  0.6061  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0192
  0.0000  0.5539  0.0000 -0.0002 -0.0001      0.0000  0.0000 -0.0000 -0.0433 -0.0004
 -0.0001  0.0000  0.6084  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5542 -0.0002      0.0000  0.0433 -0.0000 -0.0000  0.0003
  0.0000 -0.0001  0.0000 -0.0002  0.5606      0.0192  0.0004  0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v = -0.0006 -0.3918  0.0003  0.3598 -0.0966  0.0041 -0.2402 -0.0004 -0.0997 -0.3289      0.0000  0.3663 -0.0002  0.3907 -0.2313 -0.0040  0.0955  0.0002 -0.2363 -0.3557
  o =  0.4704  v =  0.0008 -0.2591 -0.0000  0.0519 -0.0827  0.0027  0.5166  0.0003 -0.0831 -0.0479      0.0000  0.0490 -0.0001  0.2558  0.5051 -0.0003  0.0835  0.0001  0.5117 -0.2355
  o =  0.5744  v =  0.1241 -0.2182 -0.0020  0.5447 -0.0001  0.0012  0.0606  0.5079  0.0014  0.0303      0.0000 -0.5108 -0.0059 -0.2180 -0.1387 -0.0307  0.0015 -0.2099  0.0703 -0.0001
  o =  0.5761  v = -0.5813  0.0152 -0.0146  0.0612 -0.0003 -0.1127 -0.2373  0.1145  0.0121 -0.1151      0.0000 -0.1659  0.0626 -0.0971  0.6048  0.1050  0.0116 -0.0409 -0.3574 -0.1233
  o =  0.5784  v = -0.1530 -0.1323  0.3275  0.1986 -0.0020  0.2609 -0.1759  0.0037 -0.2945  0.4401      0.0000  0.1944 -0.1173  0.1002  0.1488 -0.4393 -0.2938 -0.0182  0.0349  0.2616
  o =  0.5790  v = -0.0963 -0.1734 -0.4595  0.0302  0.0042  0.3572 -0.2466  0.0078  0.4016  0.0573      0.0000  0.0207 -0.2326  0.1424  0.0887 -0.0594  0.4030 -0.0182  0.1609  0.3474
  o =  0.6239  v =  0.5955  0.1132 -0.0123 -0.2618 -0.0002  0.0724 -0.1632  0.4906 -0.0063 -0.0576      0.0000  0.2048 -0.0454  0.0699  0.3825 -0.0939 -0.0063 -0.1925 -0.2117 -0.0461
  o =  0.6243  v = -0.4810  0.0814 -0.0285 -0.2669 -0.0002 -0.0946  0.1378  0.5946 -0.0173  0.0508      0.0000  0.3118  0.0371  0.1359 -0.3144  0.0787 -0.0170 -0.2228  0.1741  0.0578
  o =  0.6259  v =  0.1531 -0.1392 -0.3280  0.1888 -0.0000 -0.3743 -0.1238 -0.0165 -0.1817  0.3888      0.0000  0.1692  0.1275  0.1051  0.1110  0.5490 -0.1800  0.0315  0.0177  0.2658
  o =  0.6265  v =  0.0677 -0.1177  0.6119  0.0013 -0.0004 -0.3344 -0.2113  0.0182  0.3503  0.0177      0.0000  0.0148  0.3269  0.1087  0.0523  0.0239  0.3471  0.0061  0.1611  0.2421
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053  0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0196
  0.0001  0.5421 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0445  0.0014
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5428  0.0007     -0.0000 -0.0445  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0007  0.5526     -0.0196 -0.0014 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0001 -0.0098  0.0001
 -0.0098 -0.0033 -0.0000 -0.0001  0.0003     -0.0000  0.0001 -0.0172  0.0006 -0.0465
 -0.0000 -0.0000 -0.0001 -0.0166 -0.0001      0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0172 -0.0031 -0.0461      0.0098  0.0006  0.0000 -0.0002  0.0003
 -0.0000 -0.0001 -0.0001  0.0480 -0.0034      0.0001  0.0486  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0098 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0098 -0.0001
  0.0098 -0.0033 -0.0000 -0.0001 -0.0001     -0.0000 -0.0001 -0.0166 -0.0006 -0.0486
 -0.0000 -0.0000 -0.0001  0.0172 -0.0001     -0.0001  0.0172  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0166 -0.0031  0.0480      0.0098 -0.0006  0.0000  0.0002  0.0000
 -0.0000  0.0003 -0.0001 -0.0461 -0.0034     -0.0001  0.0465 -0.0000 -0.0003  0.0001
 
spin component  4
 
  0.6059 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5600 -0.0000 -0.0004  0.0000      0.0000  0.0000  0.0000 -0.0509  0.0014
 -0.0001 -0.0000  0.6081  0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5611 -0.0006     -0.0000  0.0509  0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000 -0.0006  0.5686      0.0198 -0.0014  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4561  v = -0.0013  0.6000  0.0001 -0.0136  0.0077 -0.0103  0.1015  0.0002  0.0067  0.0124      0.0000 -0.0149  0.0020 -0.5911  0.1019  0.0002 -0.0072  0.0010  0.0824  0.5122
  o =  0.4624  v =  0.0018  0.0937  0.0001  0.0041 -0.0063 -0.0031 -0.5664  0.0000 -0.0066 -0.0035      0.0000  0.0041 -0.0005 -0.1123 -0.5778 -0.0001  0.0057 -0.0019 -0.5636  0.0790
  o =  0.5713  v = -0.1435 -0.5824  0.0062  0.0066  0.0008  0.0119 -0.0698  0.0058 -0.0077 -0.0014      0.0000 -0.0066  0.0065 -0.5716  0.1735 -0.0019 -0.0067 -0.5199 -0.0869  0.0168
  o =  0.5785  v =  0.6203 -0.0607 -0.0152 -0.0003 -0.0001 -0.1700  0.3304  0.0011  0.0148 -0.0039      0.0000 -0.0030  0.0459 -0.2106 -0.5578  0.0025  0.0145 -0.1535  0.2514 -0.1686
  o =  0.5833  v = -0.1873  0.2168 -0.0039  0.0093 -0.0009 -0.5750  0.2103 -0.0067  0.0014  0.0277      0.0000  0.0137  0.3954 -0.1620  0.1361 -0.0332  0.0014  0.0385 -0.3460 -0.4676
  o =  0.5859  v =  0.0782 -0.1253  0.2084  0.0382 -0.0030  0.4072  0.3865  0.0006 -0.1307  0.0923      0.0000  0.0430  0.5814  0.1254 -0.0505 -0.1300 -0.1295  0.0017 -0.3445  0.2865
  o =  0.6229  v =  0.2421 -0.3670 -0.0095  0.0153 -0.0001 -0.0285 -0.0678 -0.0304 -0.0041  0.0029      0.0000 -0.0123 -0.0115 -0.3533  0.1498 -0.0007 -0.0038  0.8041 -0.0755  0.0165
  o =  0.6268  v = -0.6769 -0.0590  0.0210  0.0020 -0.0002  0.2130  0.2844 -0.0086  0.0105 -0.0049      0.0000 -0.0060 -0.0563 -0.2009 -0.4899 -0.0082  0.0103  0.2344  0.2208 -0.1548
  o =  0.6317  v =  0.1764  0.2375 -0.0164  0.0045  0.0010  0.5249  0.2101  0.0028 -0.0116  0.0192      0.0000  0.0125 -0.4080 -0.1745  0.1586  0.0221 -0.0100 -0.0453 -0.3687 -0.4808
  o =  0.6351  v =  0.0740  0.1630  0.1719 -0.0447 -0.0005  0.3533 -0.4426 -0.0013  0.1398 -0.0970      0.0000 -0.0438  0.5096 -0.1592  0.0766 -0.0970  0.1359 -0.0036  0.3726 -0.3568
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6071 -0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0189
 -0.0000  0.5520  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0000  0.0414 -0.0001
 -0.0001  0.0000  0.6093 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5518  0.0001      0.0000 -0.0414 -0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000  0.0001  0.5594     -0.0189  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0095  0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0094 -0.0000
 -0.0095  0.0002 -0.0000  0.0000  0.0001     -0.0000 -0.0002 -0.0160  0.0000 -0.0412
  0.0000  0.0000 -0.0000 -0.0162  0.0000      0.0000  0.0162 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0160  0.0001 -0.0412      0.0094  0.0000  0.0000 -0.0002  0.0001
  0.0000 -0.0002 -0.0000  0.0407  0.0002      0.0000  0.0409  0.0000 -0.0002 -0.0003
 
spin component  3
 
 -0.0000 -0.0095  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0094 -0.0000
  0.0095  0.0002  0.0000  0.0001 -0.0002     -0.0000  0.0002 -0.0162 -0.0000 -0.0409
  0.0001 -0.0000 -0.0000  0.0160 -0.0000      0.0000  0.0160  0.0001 -0.0000 -0.0000
 -0.0000  0.0000 -0.0162  0.0001  0.0407      0.0094 -0.0000  0.0000  0.0002  0.0002
  0.0000  0.0001  0.0000 -0.0412  0.0002      0.0000  0.0412 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6068 -0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0189
 -0.0000  0.5451 -0.0000 -0.0002 -0.0001      0.0000  0.0000 -0.0000 -0.0398 -0.0001
 -0.0001 -0.0000  0.6090  0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5453 -0.0000      0.0000  0.0398 -0.0000  0.0000 -0.0001
  0.0000 -0.0001  0.0000 -0.0000  0.5535      0.0189  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v =  0.0080  0.0049 -0.0001 -0.0249 -0.0018  0.0000  0.5963 -0.0002 -0.0013  0.0248      0.0000 -0.0235  0.0002 -0.0061  0.5367 -0.0001  0.0026 -0.0001  0.5954  0.0051
  o =  0.4704  v = -0.0004  0.0347 -0.0001 -0.5792 -0.0038 -0.0001 -0.0266  0.0002 -0.0033  0.5683      0.0000 -0.5796 -0.0001 -0.0362 -0.0224  0.0019  0.0043 -0.0001 -0.0251  0.0349
  o =  0.5715  v = -0.0088  0.0147  0.4796  0.0014  0.0014 -0.0197 -0.2202 -0.0002 -0.5681  0.0050      0.0000  0.0028 -0.1814 -0.0072  0.0143 -0.0037 -0.5662  0.0023  0.2091 -0.0243
  o =  0.5761  v = -0.0666  0.2710 -0.0194  0.3533 -0.0002 -0.4139 -0.0366  0.1333  0.0205  0.4406      0.0000  0.0777 -0.0025 -0.1718  0.0743 -0.4024  0.0210  0.0479 -0.0301 -0.4531
  o =  0.5770  v = -0.0310  0.1521  0.0051  0.4550  0.0013  0.1097 -0.0103  0.5204 -0.0053 -0.1204      0.0000 -0.5728  0.0056  0.2655  0.0352  0.1154 -0.0047  0.2116 -0.0188  0.1142
  o =  0.5781  v = -0.6195 -0.0377 -0.0101 -0.0612 -0.0002  0.0424 -0.2883 -0.0424  0.0075 -0.0424      0.0000  0.0210  0.0025  0.0050  0.6566  0.0401  0.0074 -0.0179 -0.2949  0.0442
  o =  0.6228  v =  0.0170  0.0101 -0.8077  0.0127  0.0009  0.0414  0.1164 -0.0015 -0.3422  0.0228      0.0000  0.0091 -0.2835 -0.0139  0.0079  0.0386 -0.3408  0.0019 -0.1233 -0.0249
  o =  0.6242  v = -0.0800 -0.1705 -0.0560 -0.2182  0.0002 -0.5636  0.0330  0.1108 -0.0252 -0.3383      0.0000 -0.1156 -0.0219  0.1723 -0.0507 -0.5476 -0.0252  0.0012  0.0143  0.3477
  o =  0.6254  v =  0.1962  0.1489 -0.0033  0.3215 -0.0008 -0.0489 -0.0581 -0.7052 -0.0008 -0.0706      0.0000 -0.3914 -0.0004  0.1830  0.1303 -0.1075 -0.0017 -0.3284 -0.0608  0.0338
  o =  0.6256  v =  0.7520 -0.0579  0.0090 -0.1078  0.0001 -0.0456 -0.2340  0.1941  0.0064 -0.0188      0.0000  0.0901  0.0041 -0.0293  0.5038 -0.0289  0.0066  0.0841 -0.2300  0.0294
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069 -0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0193
 -0.0000  0.5552 -0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0417 -0.0002
 -0.0001 -0.0000  0.6093  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5559 -0.0000     -0.0000 -0.0417  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000 -0.0000  0.5611     -0.0193  0.0002 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0095  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0095  0.0005 -0.0000  0.0000  0.0002     -0.0000 -0.0003 -0.0161 -0.0000 -0.0450
 -0.0000  0.0000  0.0000 -0.0164  0.0000     -0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0161  0.0003 -0.0449      0.0095 -0.0000  0.0000 -0.0006  0.0002
 -0.0000 -0.0002  0.0000  0.0443  0.0005     -0.0000  0.0439  0.0000 -0.0002 -0.0006
 
spin component  3
 
  0.0001 -0.0095 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0095  0.0000
  0.0095  0.0005  0.0000  0.0000 -0.0002     -0.0000  0.0003 -0.0164  0.0000 -0.0439
  0.0000 -0.0000  0.0000  0.0161  0.0000      0.0000  0.0161  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0164  0.0003  0.0443      0.0096  0.0000  0.0000  0.0006  0.0002
 -0.0000  0.0002  0.0000 -0.0449  0.0005      0.0000  0.0450 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6065  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0191
  0.0000  0.5458  0.0000 -0.0003  0.0001     -0.0000  0.0000 -0.0000 -0.0389 -0.0002
 -0.0001  0.0000  0.6089 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5460 -0.0000     -0.0000  0.0389  0.0000  0.0000 -0.0002
  0.0000  0.0001 -0.0000 -0.0000  0.5531      0.0191  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4650  v =  0.0044 -0.0309 -0.0001 -0.0258 -0.0104 -0.0004  0.5893 -0.0004 -0.0105  0.0262      0.0000 -0.0227  0.0004  0.0279  0.5495 -0.0003  0.0118 -0.0003  0.5881 -0.0316
  o =  0.4681  v = -0.0005 -0.4487 -0.0005 -0.3502 -0.0003 -0.0024 -0.0405  0.0001  0.0020  0.3637      0.0000 -0.3504  0.0000  0.4472 -0.0360 -0.0018  0.0026 -0.0002 -0.0408 -0.4651
  o =  0.5711  v = -0.0096  0.0059  0.5110  0.0022 -0.0002 -0.0152 -0.0530 -0.0052 -0.6052  0.0186      0.0000  0.0138 -0.0393 -0.0113  0.0153 -0.0141 -0.6039 -0.0022  0.0398 -0.0205
  o =  0.5787  v = -0.0959  0.5306 -0.0180  0.1821 -0.0012 -0.4280 -0.0387  0.0347  0.0164  0.2841      0.0000  0.1144  0.0070  0.1029  0.0984 -0.2944  0.0172  0.3429 -0.0520 -0.4102
  o =  0.5794  v =  0.0553  0.2019  0.0023 -0.6002 -0.0001 -0.1683  0.0398 -0.4866 -0.0035 -0.3098      0.0000  0.2751  0.0160  0.0401 -0.0559  0.3319  0.0005  0.1360  0.0101 -0.1545
  o =  0.5815  v =  0.6693  0.0601  0.0118  0.0768 -0.0002 -0.0568  0.2786  0.0503 -0.0073  0.0680      0.0000 -0.0072 -0.0012  0.0122 -0.6041 -0.0797 -0.0077  0.0429  0.2804 -0.0478
  o =  0.6229  v = -0.0183 -0.0055  0.8539 -0.0027  0.0003 -0.0330  0.0328 -0.0126  0.3607 -0.0189      0.0000 -0.0154 -0.0695  0.0136 -0.0078 -0.0312  0.3608 -0.0082 -0.0259  0.0202
  o =  0.6263  v =  0.1197  0.3162  0.0426  0.1525  0.0000  0.5417 -0.0342  0.0200  0.0219  0.3213      0.0000  0.1786 -0.0093 -0.0647  0.0814  0.4726  0.0225 -0.2386 -0.0431 -0.3694
  o =  0.6271  v = -0.0880 -0.0528  0.0138 -0.4384 -0.0011  0.1895  0.0387  0.7097  0.0064 -0.0876      0.0000  0.3475 -0.0184 -0.1941 -0.0645 -0.1264  0.0068  0.2243  0.0199 -0.1363
  o =  0.6287  v = -0.7192  0.0599 -0.0096  0.0802  0.0000  0.0593  0.2605 -0.0783 -0.0075  0.0659      0.0000 -0.0133  0.0022  0.0133 -0.5548  0.0857 -0.0075 -0.0623  0.2628 -0.0465
     EDDAV:  cpu time   75.5232: real time   76.2721
       DOS:  cpu time    0.0446: real time    0.0448
    CHARGE:  cpu time    1.1652: real time    1.1761
    MIXING:  cpu time    0.0317: real time    0.0319
    --------------------------------------------
      LOOP:  cpu time   77.6815: real time   78.4493

 eigenvalue-minimisations  : 13560
 total energy-change (2. order) : 0.1094154E+00  (-0.7832110E-01)
 number of electron    1039.9999692 magnetization       0.0291003     -0.0025555     -0.0413467
 augmentation part       28.4764068 magnetization      -0.0160116      0.0032292     -0.0414037

 Broyden mixing:
  rms(total) = 0.12517E+01    rms(broyden)= 0.12517E+01
  rms(prec ) = 0.13466E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5914
  2.0821  1.3881  0.9382  0.4637  0.4011  0.4011  0.2762  0.1710  0.1710  0.1181
  0.0950

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17403.56491433
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.38492014
  PAW double counting   =     84423.25295511   -83243.87682405
  entropy T*S    EENTRO =        -0.15660569
  eigenvalues    EBANDS =     -6110.02649821
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.45969115 eV

  energy without entropy =    -1066.30308546  energy(sigma->0) =    -1066.40748926


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  17)  ---------------------------------------


    POTLOK:  cpu time    0.4742: real time    0.4792
    SETDIJ:  cpu time    0.4390: real time    0.4414
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6051 -0.0000 -0.0000  0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0194
 -0.0000  0.5418 -0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0000  0.0419 -0.0011
 -0.0000 -0.0000  0.6073  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0000  0.0000  0.5440 -0.0001      0.0000 -0.0419 -0.0000 -0.0000  0.0010
 -0.0000 -0.0001  0.0001 -0.0001  0.5505     -0.0194  0.0011 -0.0000 -0.0010  0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0096  0.0023 -0.0000 -0.0002  0.0001     -0.0000  0.0017 -0.0167 -0.0002 -0.0443
 -0.0000 -0.0000  0.0001 -0.0163  0.0000     -0.0000  0.0163  0.0001 -0.0000 -0.0000
 -0.0000 -0.0003  0.0167  0.0018 -0.0425      0.0097 -0.0002  0.0000  0.0021  0.0001
  0.0001  0.0000  0.0000  0.0448  0.0025     -0.0001  0.0459 -0.0000  0.0000  0.0024
 
spin component  3
 
  0.0001 -0.0096 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0023 -0.0000 -0.0003  0.0000     -0.0000 -0.0017 -0.0163  0.0002 -0.0459
 -0.0000 -0.0000  0.0001  0.0167  0.0000      0.0000  0.0167 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0163  0.0018  0.0448      0.0097  0.0002  0.0000 -0.0021 -0.0000
  0.0001  0.0001  0.0000 -0.0425  0.0025      0.0001  0.0443  0.0000 -0.0001 -0.0024
 
spin component  4
 
  0.6058  0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0196
  0.0001  0.5570  0.0000 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0479 -0.0012
 -0.0000  0.0000  0.6079 -0.0000  0.0001     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5585  0.0001      0.0000  0.0479 -0.0000  0.0000  0.0010
  0.0000  0.0001  0.0001  0.0001  0.5659      0.0196  0.0012  0.0000 -0.0010  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4614  v =  0.0012  0.3792 -0.0018 -0.4588 -0.0052 -0.0060 -0.0844  0.0007  0.0042  0.4030      0.0000 -0.4688  0.0000 -0.3675 -0.0938  0.0074  0.0136  0.0010 -0.0839  0.3243
  o =  0.4655  v = -0.0019  0.0600 -0.0003 -0.0599 -0.0202 -0.0019  0.5733  0.0016 -0.0182  0.0520      0.0000 -0.0754  0.0012 -0.0714  0.5779  0.0019  0.0218 -0.0012  0.5594  0.0504
  o =  0.5700  v = -0.1670  0.4351  0.0014 -0.4022  0.0005 -0.0196 -0.0944 -0.3308  0.0009 -0.0251      0.0000  0.3681  0.0016  0.4197  0.2088  0.0225  0.0003  0.3676 -0.0995 -0.0292
  o =  0.5757  v = -0.5706 -0.0701 -0.0307  0.0597  0.0002 -0.1168 -0.2764  0.1193  0.0281 -0.1313      0.0000 -0.1734  0.0218 -0.1876  0.5713  0.1179  0.0276 -0.1305 -0.3202 -0.1275
  o =  0.5812  v = -0.1779 -0.1344  0.3973  0.1665 -0.0035  0.3331 -0.0640  0.0132 -0.3123  0.3710      0.0000  0.1395  0.0069  0.1079  0.1434 -0.4170 -0.3081 -0.0173 -0.0751  0.2964
  o =  0.5837  v =  0.1026  0.1316  0.5357 -0.0750 -0.0044 -0.3646  0.1691 -0.0023 -0.3793 -0.1727      0.0000 -0.0760  0.1925 -0.1210 -0.0743  0.2208 -0.3752  0.0101 -0.1022 -0.2851
  o =  0.6217  v =  0.3156  0.2559  0.0009 -0.2410 -0.0003  0.0382 -0.0867  0.5310 -0.0022 -0.0257      0.0000  0.2117 -0.0074  0.2389  0.1847 -0.0506 -0.0027 -0.5809 -0.0930 -0.0233
  o =  0.6242  v = -0.6829  0.0717 -0.0409 -0.0647 -0.0002 -0.1510  0.2106  0.2186 -0.0232  0.0973      0.0000  0.1519  0.0336  0.1619 -0.4451  0.1507 -0.0229 -0.2350  0.2484  0.0947
  o =  0.6288  v =  0.1639 -0.1180 -0.5004  0.1567 -0.0018 -0.2910 -0.0755 -0.0188 -0.3256  0.3354      0.0000  0.1338  0.0143  0.0886  0.1356  0.4069 -0.3212  0.0262 -0.0569  0.2408
  o =  0.6314  v =  0.1072 -0.1635  0.4874  0.1012  0.0020 -0.3802 -0.1625  0.0017  0.3525  0.2214      0.0000  0.0982  0.1600  0.1457  0.1004  0.2461  0.3484  0.0127  0.0679  0.3412
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0190
  0.0001  0.5451  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0399  0.0013
 -0.0000  0.0000  0.6084 -0.0001 -0.0001     -0.0000 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5442  0.0004     -0.0000 -0.0399  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0001  0.0004  0.5519     -0.0190 -0.0013 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0095  0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0026  0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0164  0.0003 -0.0422
 -0.0000  0.0000 -0.0002 -0.0161 -0.0000      0.0000  0.0161  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165 -0.0024 -0.0432      0.0095  0.0003  0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0000  0.0440 -0.0026      0.0001  0.0434  0.0000 -0.0000 -0.0000
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0026  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0161 -0.0003 -0.0434
  0.0000  0.0000 -0.0002  0.0165 -0.0000     -0.0000  0.0164 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0161 -0.0024  0.0440      0.0095 -0.0003  0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0000 -0.0432 -0.0026     -0.0001  0.0422 -0.0000  0.0000  0.0000
 
spin component  4
 
  0.6067 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0001  0.0000 -0.0193
 -0.0001  0.5570 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0450  0.0013
 -0.0000 -0.0000  0.6089  0.0001 -0.0001     -0.0001 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5565 -0.0004     -0.0000  0.0450  0.0000  0.0000 -0.0000
  0.0000 -0.0000 -0.0001 -0.0004  0.5626      0.0193 -0.0013  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4653  v =  0.0011 -0.5855 -0.0000 -0.0046  0.0000  0.0071 -0.1038 -0.0000 -0.0003  0.0041      0.0000 -0.0045 -0.0015  0.5899 -0.1058  0.0000  0.0002  0.0003 -0.0892 -0.5284
  o =  0.4682  v = -0.0014 -0.0966 -0.0000  0.0014  0.0115  0.0023  0.5601  0.0000  0.0114 -0.0007      0.0000  0.0011 -0.0009  0.1145  0.5755 -0.0001 -0.0113  0.0018  0.5698 -0.0866
  o =  0.5705  v = -0.1366 -0.6054 -0.0006  0.0163 -0.0003  0.0250 -0.0854  0.0143  0.0001 -0.0015      0.0000 -0.0178 -0.0053 -0.5702  0.1773  0.0009  0.0004 -0.4926 -0.0777  0.0284
  o =  0.5767  v =  0.5543 -0.0396  0.0071  0.0013 -0.0001 -0.2095  0.3758  0.0035 -0.0064 -0.0048      0.0000 -0.0057  0.0826 -0.2477 -0.5645  0.0042 -0.0066 -0.1446  0.2115 -0.2311
  o =  0.5802  v = -0.2389  0.2213  0.0200 -0.0067 -0.0005 -0.4646  0.2308 -0.0033 -0.0169 -0.0119      0.0000 -0.0033  0.3920 -0.1629  0.2152  0.0121 -0.0177  0.0358 -0.4405 -0.4490
  o =  0.5825  v =  0.0824 -0.1756  0.0098 -0.0010 -0.0007  0.4341  0.4398  0.0012 -0.0071 -0.0040      0.0000 -0.0023  0.5178  0.1666 -0.0649  0.0040 -0.0082 -0.0024 -0.3738  0.3748
  o =  0.6222  v = -0.2896  0.3535 -0.0020 -0.0085  0.0006  0.0697  0.0946  0.0196 -0.0018 -0.0009      0.0000  0.0077 -0.0219  0.3137 -0.1664  0.0005 -0.0015 -0.8026  0.0676 -0.0381
  o =  0.6247  v = -0.6795 -0.0705 -0.0045  0.0031 -0.0002  0.2505  0.2759 -0.0072 -0.0025 -0.0003      0.0000 -0.0035 -0.1028 -0.2176 -0.4375 -0.0017 -0.0027  0.2989  0.1746 -0.1585
  o =  0.6274  v = -0.2400 -0.1949  0.0196  0.0019  0.0000 -0.5202 -0.1977  0.0005  0.0114  0.0034      0.0000  0.0009  0.4933  0.1530 -0.1820  0.0045  0.0116  0.0294  0.3758  0.3899
  o =  0.6295  v =  0.0831  0.1777  0.0127  0.0010 -0.0005  0.4612 -0.3941  0.0010  0.0081  0.0038      0.0000  0.0024  0.5620 -0.1688  0.0682  0.0047  0.0078 -0.0085  0.3254 -0.3717
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064 -0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0191
 -0.0000  0.5546 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0411 -0.0002
 -0.0001 -0.0000  0.6086 -0.0000 -0.0001     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0000 -0.0000  0.5544  0.0000      0.0000 -0.0411 -0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0001  0.0000  0.5613     -0.0191  0.0002  0.0000  0.0001  0.0000
 
spin component  2
 
  0.0000  0.0095  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0095 -0.0000
 -0.0095  0.0004 -0.0000  0.0000  0.0000     -0.0000 -0.0002 -0.0161 -0.0000 -0.0405
 -0.0000 -0.0000 -0.0000 -0.0163  0.0000      0.0000  0.0163 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0161  0.0004 -0.0405      0.0095 -0.0000  0.0000 -0.0002  0.0000
 -0.0000  0.0000  0.0000  0.0402  0.0004     -0.0000  0.0400  0.0000  0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0095 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095  0.0000
  0.0095  0.0004 -0.0000  0.0000  0.0000     -0.0000  0.0002 -0.0163  0.0000 -0.0400
  0.0000 -0.0000 -0.0000  0.0161  0.0000     -0.0000  0.0161  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0163  0.0004  0.0402      0.0095  0.0000  0.0000  0.0002 -0.0000
 -0.0000  0.0000  0.0000 -0.0405  0.0004      0.0000  0.0405  0.0000 -0.0000  0.0003
 
spin component  4
 
  0.6058  0.0000 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0189
  0.0000  0.5457 -0.0000 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0382 -0.0002
 -0.0000 -0.0000  0.6081 -0.0000 -0.0001     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5453 -0.0000      0.0000  0.0382 -0.0000  0.0000 -0.0001
 -0.0000  0.0000 -0.0001 -0.0000  0.5528      0.0189  0.0002  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4710  v = -0.0081 -0.0053 -0.0000  0.0144 -0.0012  0.0001 -0.5960  0.0002 -0.0014 -0.0143      0.0000  0.0123  0.0004  0.0079 -0.5343  0.0002  0.0011  0.0003 -0.5988 -0.0056
  o =  0.4731  v =  0.0004  0.1117  0.0003  0.5658  0.0089  0.0001  0.0137  0.0002  0.0073 -0.5685      0.0000  0.5641  0.0002 -0.1121  0.0105  0.0005 -0.0104 -0.0000  0.0122  0.1127
  o =  0.5702  v = -0.0055 -0.0088  0.1859  0.0121 -0.0009  0.0161  0.5636  0.0017 -0.2210  0.0253      0.0000  0.0098  0.4741  0.0105  0.0080 -0.0194 -0.2227  0.0007 -0.5677  0.0212
  o =  0.5754  v =  0.0597 -0.2707  0.0229 -0.1678  0.0001  0.5096  0.0181  0.0053 -0.0236 -0.3438      0.0000 -0.1788 -0.0128  0.2773 -0.0674  0.3225 -0.0238  0.0049  0.0430  0.5438
  o =  0.5779  v = -0.2465  0.4649 -0.0006  0.2062 -0.0005  0.0182 -0.1163  0.2265 -0.0003 -0.0068      0.0000 -0.2133 -0.0030  0.4808  0.2578  0.0081  0.0000  0.5102 -0.1077  0.0181
  o =  0.5784  v =  0.5861  0.2242  0.0011  0.1046 -0.0004 -0.0515  0.2690  0.0975 -0.0001  0.0337      0.0000 -0.0721  0.0043  0.1750 -0.5962 -0.0345  0.0000  0.2200  0.2575 -0.0495
  o =  0.6221  v =  0.0016  0.0181 -0.5907  0.0019 -0.0003  0.0675 -0.2600  0.0047 -0.2469  0.0095      0.0000  0.0073  0.6212 -0.0201 -0.0012  0.0173 -0.2480  0.0014  0.2604 -0.0396
  o =  0.6235  v = -0.0705 -0.2038 -0.0653 -0.1375 -0.0004 -0.6314  0.0068 -0.0183 -0.0297 -0.2939      0.0000 -0.1580  0.0287  0.1914 -0.0432 -0.4723 -0.0302  0.0117  0.0337  0.3930
  o =  0.6256  v =  0.5600  0.2497 -0.0080  0.1141  0.0001 -0.0483 -0.1783 -0.2253 -0.0029 -0.0132      0.0000 -0.1273  0.0024  0.2831  0.3884 -0.0183 -0.0026 -0.4965 -0.1753  0.0345
  o =  0.6259  v =  0.5230 -0.2965 -0.0005 -0.1417  0.0001 -0.0253 -0.1690  0.2356  0.0001 -0.0267      0.0000  0.1155 -0.0003 -0.2781  0.3675 -0.0386 -0.0002  0.5265 -0.1681  0.0182
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0194
 -0.0000  0.5572  0.0000 -0.0001  0.0001     -0.0000 -0.0000 -0.0000  0.0438 -0.0003
 -0.0000  0.0000  0.6083  0.0000  0.0001      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0000  0.5575 -0.0000      0.0000 -0.0438  0.0000 -0.0000 -0.0004
  0.0000  0.0001  0.0001 -0.0000  0.5641     -0.0194  0.0003 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0096  0.0007 -0.0000  0.0001 -0.0001     -0.0000 -0.0007 -0.0162 -0.0000 -0.0422
  0.0000  0.0000  0.0000 -0.0165  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0161  0.0004 -0.0420      0.0096 -0.0000  0.0000 -0.0008 -0.0001
 -0.0000 -0.0001  0.0000  0.0410  0.0007     -0.0000  0.0410  0.0000 -0.0001 -0.0008
 
spin component  3
 
  0.0000 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0000
  0.0096  0.0007  0.0000  0.0001 -0.0001     -0.0000  0.0007 -0.0166  0.0000 -0.0410
  0.0000 -0.0000  0.0000  0.0161  0.0000      0.0000  0.0162  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0165  0.0004  0.0410      0.0096  0.0000  0.0000  0.0008  0.0001
 -0.0000 -0.0001  0.0000 -0.0420  0.0007      0.0000  0.0422 -0.0000  0.0001  0.0008
 
spin component  4
 
  0.6052  0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0192
  0.0000  0.5418 -0.0000  0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0376 -0.0003
 -0.0000 -0.0000  0.6077 -0.0000  0.0001     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5424  0.0000      0.0000  0.0376  0.0000  0.0000 -0.0004
  0.0000 -0.0001  0.0001  0.0000  0.5511      0.0192  0.0003  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4677  v = -0.0098  0.0236  0.0000  0.0255  0.0013  0.0003 -0.6031  0.0005  0.0013 -0.0258      0.0000  0.0207 -0.0003 -0.0198 -0.5230  0.0003 -0.0017  0.0004 -0.5995  0.0240
  o =  0.4714  v =  0.0010  0.4076  0.0007  0.3993  0.0010  0.0017  0.0357 -0.0001 -0.0019 -0.4117      0.0000  0.4005  0.0001 -0.4068  0.0275  0.0016 -0.0048  0.0000  0.0348  0.4192
  o =  0.5670  v = -0.0038  0.0051 -0.2293 -0.0221  0.0014 -0.0052 -0.5435  0.0013  0.2934 -0.0544      0.0000 -0.0264 -0.4247 -0.0012  0.0058  0.0394  0.2928  0.0020  0.5422 -0.0073
  o =  0.5749  v =  0.0736 -0.2464  0.0423 -0.2337  0.0001  0.4325  0.0427 -0.0026 -0.0430 -0.4422      0.0000 -0.2243  0.0063  0.2190 -0.0827  0.4252 -0.0431 -0.0154  0.0309  0.4496
  o =  0.5795  v =  0.6176 -0.0778 -0.0071 -0.1388 -0.0001 -0.0615  0.2463 -0.1913  0.0072  0.0481      0.0000  0.1855 -0.0032 -0.1319 -0.5925 -0.0544  0.0073 -0.1234  0.2564 -0.0544
  o =  0.5809  v =  0.2437  0.2738 -0.0000  0.4243  0.0003 -0.0049  0.0955  0.5155 -0.0001  0.0172      0.0000 -0.4063  0.0011  0.2706 -0.2196 -0.0203 -0.0004  0.3378  0.0970 -0.0046
  o =  0.6209  v = -0.0011  0.0047  0.4580 -0.0253  0.0003  0.0083 -0.2887 -0.0023  0.1793 -0.0525      0.0000 -0.0255  0.7391 -0.0001  0.0015 -0.0943  0.1788 -0.0036  0.2889 -0.0051
  o =  0.6234  v =  0.0945  0.1869  0.0942  0.1807 -0.0001  0.5616 -0.0324 -0.0130  0.0435  0.3395      0.0000  0.1671  0.0113 -0.1750  0.0589  0.5397  0.0434 -0.0134 -0.0219 -0.3532
  o =  0.6271  v =  0.6849  0.0795 -0.0123  0.1144  0.0003 -0.0624 -0.2284 -0.2314 -0.0062 -0.0449      0.0000 -0.1583 -0.0013  0.1265  0.5185 -0.0583 -0.0060 -0.1740 -0.2319  0.0470
  o =  0.6283  v = -0.2749  0.2650 -0.0015  0.3497  0.0006  0.0109  0.0993 -0.5545 -0.0007  0.0102      0.0000 -0.3393 -0.0010  0.2566 -0.2172  0.0138 -0.0002 -0.4201  0.0977 -0.0093
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0193
  0.0001  0.5503 -0.0000 -0.0002 -0.0001      0.0000  0.0000  0.0000  0.0411  0.0003
 -0.0001 -0.0000  0.6085 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5504  0.0003     -0.0000 -0.0411 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0003  0.5540     -0.0193 -0.0003 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0095 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0095  0.0000
 -0.0094 -0.0016 -0.0000  0.0001  0.0003     -0.0000  0.0001 -0.0160  0.0002 -0.0423
 -0.0000  0.0000 -0.0001 -0.0162 -0.0000     -0.0000  0.0162 -0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0160 -0.0013 -0.0423      0.0095  0.0001  0.0000  0.0001  0.0003
  0.0000 -0.0003 -0.0000  0.0417 -0.0020      0.0001  0.0416  0.0000 -0.0003  0.0001
 
spin component  3
 
 -0.0001 -0.0094 -0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0095 -0.0001
  0.0095 -0.0016  0.0000 -0.0000 -0.0003     -0.0000 -0.0001 -0.0162 -0.0001 -0.0416
 -0.0000 -0.0000 -0.0001  0.0160 -0.0000     -0.0000  0.0160  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0162 -0.0013  0.0417      0.0095 -0.0002  0.0000 -0.0001  0.0003
 -0.0000  0.0003 -0.0000 -0.0423 -0.0020     -0.0000  0.0423  0.0000 -0.0003 -0.0001
 
spin component  4
 
  0.6062 -0.0000 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0192
 -0.0000  0.5442 -0.0000 -0.0003  0.0001     -0.0000  0.0000  0.0000 -0.0398  0.0004
 -0.0001 -0.0000  0.6083  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5440  0.0002      0.0000  0.0398 -0.0000 -0.0000  0.0001
 -0.0000  0.0001 -0.0000  0.0002  0.5478      0.0192 -0.0004  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4641  v = -0.0024 -0.1641  0.0001 -0.0047 -0.0119 -0.0015 -0.5656 -0.0001 -0.0124  0.0047      0.0000 -0.0048 -0.0004  0.1538 -0.5338 -0.0001  0.0122 -0.0011 -0.5621 -0.1677
  o =  0.4667  v =  0.0019 -0.5472  0.0001 -0.0344 -0.0024 -0.0028  0.1611  0.0001 -0.0029  0.0357      0.0000 -0.0352 -0.0015  0.5499  0.1491 -0.0002  0.0007  0.0002  0.1752 -0.5617
  o =  0.5703  v = -0.0393 -0.0575  0.4647 -0.0559  0.0001  0.0719 -0.2316  0.0000 -0.5543 -0.1207      0.0000 -0.0538 -0.1727  0.0304  0.0527  0.0930 -0.5559 -0.0125  0.1811  0.0912
  o =  0.5733  v =  0.2124  0.3837  0.0479  0.0771 -0.0001 -0.5117  0.0006  0.0684 -0.0526  0.0018      0.0000 -0.0733 -0.1086 -0.2217 -0.2515 -0.0020 -0.0511  0.0740  0.2389 -0.5792
  o =  0.5752  v = -0.2630 -0.3880 -0.0011  0.1468 -0.0008 -0.1680 -0.1535  0.0958 -0.0002  0.0958      0.0000 -0.0495 -0.0205 -0.5701  0.2961 -0.0905  0.0018 -0.4684 -0.1129 -0.1806
  o =  0.5766  v =  0.5055 -0.3725  0.0267  0.0398 -0.0003  0.1652  0.2751  0.0197 -0.0242  0.0392      0.0000  0.0022  0.0228 -0.2075 -0.5320 -0.0397 -0.0237 -0.2977  0.2278  0.1692
  o =  0.6218  v = -0.0739  0.0729  0.6445  0.0373  0.0008  0.2055  0.2267  0.0030  0.2684  0.0835      0.0000  0.0430 -0.4993 -0.0388 -0.0375  0.1504  0.2696 -0.0366 -0.1903 -0.1138
  o =  0.6229  v =  0.2872 -0.2503  0.0817 -0.0316  0.0010 -0.7084  0.0331  0.0834  0.0369  0.0104      0.0000  0.0413 -0.2533  0.1693  0.1663  0.0174  0.0372  0.0901 -0.1930  0.4082
  o =  0.6241  v = -0.3426  0.2779 -0.0049 -0.0665  0.0006 -0.2076  0.1096  0.0825 -0.0022 -0.0536      0.0000  0.0129 -0.0185  0.4071 -0.2152 -0.0843 -0.0024 -0.7013  0.0891  0.1295
  o =  0.6250  v =  0.6507  0.2699  0.0258 -0.0169 -0.0001  0.2018 -0.2237  0.0081  0.0153 -0.0230      0.0000 -0.0075  0.0444  0.1391  0.4249 -0.0344  0.0152 -0.3962 -0.1818 -0.1338
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064  0.0001 -0.0001  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0192
  0.0001  0.5468 -0.0000 -0.0002  0.0001     -0.0000  0.0000  0.0000  0.0402  0.0004
 -0.0001 -0.0000  0.6084 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5465 -0.0001      0.0000 -0.0402 -0.0000  0.0000  0.0002
 -0.0000  0.0001 -0.0000 -0.0001  0.5505     -0.0192 -0.0004 -0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0095  0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0094  0.0001
 -0.0095 -0.0020  0.0000 -0.0002  0.0004     -0.0000  0.0004 -0.0161  0.0001 -0.0418
  0.0000  0.0000 -0.0001 -0.0161 -0.0000      0.0000  0.0161  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0161 -0.0017 -0.0419      0.0094  0.0002  0.0000  0.0007  0.0004
  0.0000 -0.0003 -0.0000  0.0418 -0.0023      0.0000  0.0420 -0.0000 -0.0003  0.0008
 
spin component  3
 
 -0.0001 -0.0095  0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0094 -0.0000
  0.0095 -0.0020  0.0000 -0.0000 -0.0003     -0.0000 -0.0004 -0.0161 -0.0002 -0.0420
  0.0000  0.0000 -0.0001  0.0161 -0.0000      0.0000  0.0161 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0161 -0.0017  0.0418      0.0094 -0.0001  0.0000 -0.0007  0.0003
  0.0000  0.0004 -0.0000 -0.0419 -0.0023     -0.0001  0.0418  0.0000 -0.0004 -0.0008
 
spin component  4
 
  0.6065 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0193
 -0.0000  0.5475  0.0000 -0.0003 -0.0000      0.0000  0.0000  0.0000 -0.0405  0.0003
 -0.0001  0.0000  0.6085  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5476 -0.0004     -0.0000  0.0405 -0.0000  0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0004  0.5509      0.0193 -0.0003  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4647  v = -0.0009  0.4326 -0.0007  0.1359  0.0120  0.0007  0.3695  0.0002  0.0153 -0.1330      0.0000  0.1325  0.0011 -0.4222  0.3650  0.0001 -0.0095  0.0011  0.3603  0.4253
  o =  0.4665  v =  0.0004 -0.3527  0.0005 -0.0868  0.0409  0.0011  0.4446  0.0005  0.0388  0.0864      0.0000 -0.0925 -0.0008  0.3663  0.4387  0.0001 -0.0440  0.0013  0.4524 -0.3436
  o =  0.5719  v =  0.2428  0.4950 -0.1502  0.2836 -0.0013 -0.1459  0.2431  0.1788  0.1704  0.1637      0.0000 -0.1258  0.0888  0.3193 -0.2998 -0.1323  0.1740  0.3573  0.0422 -0.1792
  o =  0.5728  v =  0.0652 -0.0782 -0.1969 -0.2453  0.0007 -0.2073  0.4252 -0.2414  0.2214  0.0453      0.0000  0.2871  0.3441 -0.3109 -0.0732 -0.0378  0.2143 -0.1750 -0.3384 -0.2493
  o =  0.5744  v = -0.3562 -0.0189 -0.1634  0.1062 -0.0009  0.2879  0.0717  0.0985  0.1705  0.0096      0.0000 -0.1003  0.2602  0.3079  0.3969 -0.0076  0.1729  0.1369 -0.4758  0.3205
  o =  0.5760  v =  0.4016 -0.3134 -0.0079 -0.0421 -0.0001  0.4212  0.3277  0.0086  0.0078 -0.1040      0.0000 -0.0578  0.1192  0.1233 -0.4281  0.0976  0.0090 -0.0936  0.0884  0.4479
  o =  0.6225  v =  0.4248 -0.3091 -0.2021 -0.1338  0.0004 -0.2899 -0.2164  0.1973 -0.0861 -0.1013      0.0000  0.0349  0.2261 -0.1510  0.2391 -0.1839 -0.0866  0.5271 -0.0163  0.1614
  o =  0.6229  v =  0.0572  0.1581 -0.4567  0.0147 -0.0012 -0.2834 -0.1537 -0.1264 -0.2049 -0.0929      0.0000 -0.1027  0.3043  0.3166  0.0275 -0.1566 -0.2070 -0.5289  0.1174  0.1655
  o =  0.6236  v = -0.4626 -0.0042 -0.2650 -0.0876  0.0006  0.3289 -0.0730  0.1653 -0.1244 -0.0215      0.0000  0.0682  0.4503 -0.2026 -0.2763 -0.0343 -0.1258  0.2188  0.3512 -0.1958
  o =  0.6246  v = -0.5009 -0.2493  0.0326 -0.0349 -0.0002 -0.5465  0.2510 -0.0077  0.0148 -0.0814      0.0000 -0.0440 -0.1909  0.0905 -0.3196 -0.1275  0.0155  0.1626  0.0605  0.3475
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6021 -0.0002 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0002  0.5484  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0001  0.0424 -0.0022
 -0.0001  0.0000  0.6056  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0001  0.5485 -0.0001      0.0000 -0.0424  0.0000 -0.0000 -0.0004
  0.0000 -0.0000  0.0000 -0.0001  0.5594     -0.0199  0.0022 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0002  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0002
 -0.0098  0.0055 -0.0000  0.0002 -0.0000     -0.0000 -0.0006 -0.0167 -0.0003 -0.0429
 -0.0000  0.0000  0.0003 -0.0166  0.0001     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167  0.0044 -0.0426      0.0098 -0.0005  0.0000 -0.0007 -0.0000
 -0.0000  0.0001  0.0001  0.0435  0.0068     -0.0002  0.0434  0.0000  0.0001 -0.0009
 
spin component  3
 
  0.0002 -0.0098 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0002
  0.0098  0.0055  0.0000 -0.0000  0.0001     -0.0000  0.0006 -0.0166  0.0005 -0.0434
 -0.0000 -0.0000  0.0003  0.0167  0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0166  0.0044  0.0435      0.0098  0.0003  0.0000  0.0007 -0.0001
 -0.0000 -0.0000  0.0001 -0.0426  0.0068      0.0002  0.0429 -0.0000  0.0000  0.0009
 
spin component  4
 
  0.6023  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0001 -0.0199
  0.0001  0.5516  0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0001 -0.0435 -0.0020
 -0.0001  0.0000  0.6057 -0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5515  0.0003      0.0001  0.0435  0.0000  0.0000 -0.0001
 -0.0000  0.0000  0.0000  0.0003  0.5636      0.0199  0.0020  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4658  v =  0.0005 -0.3851 -0.0023 -0.3011 -0.1676  0.0035  0.3002  0.0008 -0.1598  0.2811      0.0000 -0.3088  0.0023  0.3643  0.2826  0.0027  0.1816 -0.0022  0.2795 -0.3453
  o =  0.4688  v = -0.0051 -0.3321 -0.0004 -0.0393 -0.0138  0.0068 -0.4736  0.0006 -0.0121  0.0356      0.0000 -0.0446  0.0024  0.3644 -0.4419  0.0009  0.0167  0.0036 -0.4949 -0.2949
  o =  0.5716  v = -0.3535  0.5190  0.0144  0.0656  0.0002 -0.2101 -0.2761  0.0524 -0.0178  0.0237      0.0000 -0.0445 -0.1084  0.3082  0.3870 -0.0200 -0.0167  0.4010 -0.0612 -0.2313
  o =  0.5747  v =  0.1113  0.1811 -0.1512 -0.0515 -0.0027  0.3161  0.3966 -0.0096  0.1387 -0.0976      0.0000 -0.0282  0.3558  0.4400 -0.0967  0.0995  0.1428  0.3299 -0.2709  0.3168
  o =  0.5768  v = -0.3983 -0.1390 -0.1095 -0.0255 -0.0019 -0.1544  0.1854 -0.0408  0.0942  0.0180      0.0000  0.0463  0.4141 -0.2892  0.3437 -0.0223  0.0932 -0.2516 -0.5253 -0.1284
  o =  0.5810  v =  0.4211  0.2640 -0.0485  0.0466 -0.0009 -0.5639  0.2894  0.0230  0.0365  0.0644      0.0000  0.0102  0.2122 -0.1018 -0.3037 -0.0865  0.0354  0.1066 -0.0204 -0.4153
  o =  0.6213  v =  0.4642  0.3520 -0.0240  0.0315 -0.0004  0.3110 -0.2411 -0.0523 -0.0101  0.0175      0.0000 -0.0148  0.1957  0.1646  0.3093  0.0298 -0.0094 -0.5441 -0.0436 -0.2020
  o =  0.6234  v =  0.0925 -0.1479 -0.3108  0.1278  0.0018  0.3006 -0.2510 -0.1449 -0.1626  0.1259      0.0000 -0.0193  0.4046 -0.3436  0.0582  0.1651 -0.1695  0.4652  0.1767 -0.2256
  o =  0.6250  v = -0.4068  0.1108 -0.1356  0.0264 -0.0009 -0.1865 -0.1381 -0.0599 -0.0782 -0.0126      0.0000 -0.0409  0.4997  0.2582 -0.3133 -0.0167 -0.0798 -0.3118  0.4480  0.1365
  o =  0.6302  v =  0.3703 -0.2954 -0.0447 -0.0449 -0.0008 -0.4902 -0.3060  0.0190 -0.0315 -0.0689      0.0000 -0.0175  0.1963  0.1344  0.3605 -0.0716 -0.0322  0.1153 -0.0233  0.4740
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6020 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5475  0.0000 -0.0001  0.0001     -0.0000  0.0000 -0.0000  0.0423 -0.0002
 -0.0001  0.0000  0.6054  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5474 -0.0002      0.0000 -0.0423  0.0000  0.0000 -0.0001
 -0.0000  0.0001 -0.0000 -0.0002  0.5584     -0.0198  0.0002 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0010 -0.0000 -0.0001 -0.0000     -0.0000 -0.0006 -0.0167 -0.0003 -0.0428
 -0.0000  0.0000  0.0000 -0.0166  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0007 -0.0429      0.0098 -0.0000  0.0000 -0.0006 -0.0000
 -0.0000  0.0000  0.0000  0.0436  0.0012     -0.0000  0.0437  0.0000  0.0000 -0.0007
 
spin component  3
 
  0.0000 -0.0098 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0010  0.0000  0.0001  0.0000     -0.0000  0.0006 -0.0166  0.0000 -0.0437
  0.0000 -0.0000  0.0000  0.0167  0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0166  0.0007  0.0436      0.0098  0.0003  0.0000  0.0006 -0.0000
 -0.0000 -0.0000  0.0000 -0.0429  0.0012      0.0000  0.0428 -0.0000  0.0000  0.0007
 
spin component  4
 
  0.6023  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0200
  0.0001  0.5527 -0.0000 -0.0000 -0.0001      0.0000  0.0000 -0.0000 -0.0441 -0.0005
 -0.0001 -0.0000  0.6057 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0000 -0.0000  0.5527 -0.0000     -0.0000  0.0441  0.0000 -0.0000 -0.0004
 -0.0000 -0.0001 -0.0000 -0.0000  0.5647      0.0200  0.0005  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4663  v =  0.0003 -0.4574  0.0000  0.3546  0.1266  0.0062  0.0750 -0.0003  0.1281 -0.3152      0.0000  0.3571  0.0010  0.4580  0.0685 -0.0048 -0.1283  0.0001  0.0665 -0.4058
  o =  0.4680  v = -0.0036 -0.1363 -0.0002 -0.0599  0.0039  0.0024 -0.5685  0.0004  0.0045  0.0528      0.0000 -0.0632  0.0001  0.1415 -0.5371  0.0011 -0.0033  0.0007 -0.5698 -0.1211
  o =  0.5729  v =  0.0794 -0.4976  0.0057 -0.2807  0.0008 -0.0020  0.0355 -0.2822 -0.0046 -0.0039      0.0000  0.2775  0.0008 -0.4978 -0.0826  0.0020 -0.0043 -0.5034  0.0350 -0.0003
  o =  0.5762  v =  0.6501 -0.0083 -0.0490  0.0002 -0.0005  0.1585  0.3089  0.0378  0.0455 -0.0701      0.0000 -0.0649  0.0408  0.1225 -0.5794  0.0763  0.0450  0.0647  0.2371  0.1454
  o =  0.5769  v = -0.1171 -0.0726 -0.5148 -0.0272 -0.0017  0.1638  0.2317 -0.0095  0.4390 -0.0448      0.0000 -0.0079  0.3264  0.0482  0.0985  0.0491  0.4376 -0.0138 -0.3241  0.1490
  o =  0.5789  v =  0.1612  0.2255 -0.1725  0.1171  0.0001 -0.5935  0.1159  0.0038  0.1366  0.2589      0.0000  0.1082  0.0715 -0.1981 -0.1284 -0.3159  0.1375  0.0150  0.0017 -0.4867
  o =  0.6225  v =  0.1108  0.3449  0.0122  0.2184 -0.0001  0.0067 -0.0365 -0.4313  0.0076  0.0010      0.0000 -0.2175 -0.0001  0.3418  0.0795  0.0046  0.0076 -0.6795 -0.0359 -0.0031
  o =  0.6246  v =  0.6822  0.0147 -0.1089 -0.0004 -0.0005  0.1859 -0.3023  0.0561 -0.0605  0.0681      0.0000  0.0641  0.0877 -0.1183  0.5272  0.0888 -0.0609  0.0913 -0.2015 -0.1444
  o =  0.6251  v =  0.1613 -0.0542  0.5962 -0.0204  0.0014 -0.1162  0.1937  0.0252  0.3499 -0.0182      0.0000  0.0061 -0.4349  0.0253  0.1294 -0.0211  0.3515  0.0254 -0.3173  0.0944
  o =  0.6275  v =  0.1666 -0.2389 -0.1460 -0.1249  0.0007 -0.5816 -0.1092  0.0093 -0.0951 -0.2665      0.0000 -0.1152  0.0628  0.2194  0.1451 -0.3049 -0.0951  0.0161 -0.0273  0.5085
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0001 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0193
  0.0001  0.5500 -0.0000  0.0001 -0.0001      0.0000  0.0000  0.0000  0.0406  0.0004
 -0.0000 -0.0000  0.6085 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0000  0.5501 -0.0002      0.0000 -0.0406 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0000 -0.0002  0.5537     -0.0193 -0.0004 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0094  0.0001
 -0.0095 -0.0016 -0.0000  0.0001 -0.0002     -0.0000  0.0002 -0.0160  0.0001 -0.0419
 -0.0000  0.0000 -0.0001 -0.0162 -0.0000      0.0000  0.0162  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0160 -0.0013 -0.0418      0.0094  0.0002 -0.0000  0.0001 -0.0002
  0.0000  0.0002 -0.0000  0.0412 -0.0020      0.0000  0.0412 -0.0000  0.0001  0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0094 -0.0000
  0.0094 -0.0016  0.0000 -0.0001  0.0002      0.0000 -0.0002 -0.0162 -0.0002 -0.0412
  0.0000 -0.0000 -0.0001  0.0160 -0.0000     -0.0000  0.0160 -0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0162 -0.0013  0.0412      0.0094 -0.0001 -0.0000 -0.0001 -0.0001
 -0.0000 -0.0002 -0.0000 -0.0418 -0.0020     -0.0001  0.0419  0.0000  0.0002 -0.0001
 
spin component  4
 
  0.6063 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0191
 -0.0000  0.5439 -0.0000  0.0002  0.0000     -0.0000 -0.0000  0.0000 -0.0393  0.0003
 -0.0000 -0.0000  0.6083  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0002  0.0000  0.5438 -0.0003     -0.0000  0.0393  0.0000  0.0000  0.0001
  0.0000  0.0000 -0.0000 -0.0003  0.5473      0.0191 -0.0003 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4648  v =  0.0025  0.1653 -0.0001  0.0043  0.0097  0.0019  0.5651  0.0002  0.0102 -0.0042      0.0000  0.0036  0.0004 -0.1516  0.5332  0.0001 -0.0093  0.0014  0.5623  0.1719
  o =  0.4673  v = -0.0017  0.5436 -0.0003  0.0657  0.0127  0.0029 -0.1621 -0.0000  0.0137 -0.0668      0.0000  0.0647  0.0013 -0.5475 -0.1526  0.0003 -0.0110 -0.0003 -0.1727  0.5585
  o =  0.5697  v =  0.0283  0.0602  0.3471 -0.0617  0.0004 -0.0808  0.4342  0.0008 -0.4209 -0.1303      0.0000 -0.0624  0.3421 -0.0408 -0.0364  0.0992 -0.4227  0.0090 -0.3981 -0.1048
  o =  0.5730  v = -0.2078 -0.3715 -0.0067  0.0244 -0.0006  0.5110  0.0192  0.0281  0.0063 -0.0122      0.0000 -0.0375  0.1257  0.2428  0.2481  0.0104  0.0068 -0.0584 -0.2606  0.5887
  o =  0.5747  v =  0.2215  0.4288 -0.0075  0.1433 -0.0013  0.1423  0.1337  0.1141  0.0076  0.0479      0.0000 -0.0937  0.0214  0.5870 -0.2560 -0.0437  0.0100  0.4893  0.0904  0.1548
  o =  0.5762  v = -0.5208  0.3399  0.0238  0.0473 -0.0001 -0.1785 -0.2887  0.0387 -0.0240  0.0187      0.0000 -0.0297 -0.0239  0.1543  0.5594 -0.0176 -0.0231  0.2493 -0.2398 -0.1848
  o =  0.6216  v =  0.0633 -0.0827  0.3915  0.0436 -0.0010 -0.2520 -0.3043 -0.0034  0.1604  0.0859      0.0000  0.0408  0.7032  0.0532  0.0327  0.1595  0.1606  0.0311  0.2715  0.1370
  o =  0.6227  v =  0.2785 -0.2389  0.0180  0.0032 -0.0000 -0.7072  0.0566 -0.0323  0.0086 -0.0214      0.0000 -0.0252 -0.3043  0.1728  0.1569 -0.0382  0.0087  0.0738 -0.2103  0.4014
  o =  0.6238  v = -0.3264  0.2864  0.0220  0.0933 -0.0005 -0.1798  0.1073 -0.1652  0.0090  0.0271      0.0000 -0.0658 -0.0285  0.3972 -0.2035  0.0447  0.0105 -0.7112  0.0782  0.1098
  o =  0.6247  v = -0.6691 -0.2524  0.0296 -0.0398 -0.0000 -0.2066  0.2262  0.0658  0.0158 -0.0143      0.0000  0.0264 -0.0450 -0.1188 -0.4287 -0.0224  0.0150  0.3671  0.1832  0.1336
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0192
  0.0000  0.5464 -0.0000  0.0001  0.0001     -0.0000 -0.0000  0.0000  0.0395  0.0004
 -0.0000 -0.0000  0.6085 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0001 -0.0000  0.5463  0.0004     -0.0000 -0.0395 -0.0000  0.0000  0.0002
 -0.0000  0.0001 -0.0000  0.0004  0.5500     -0.0192 -0.0004  0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0001  0.0094  0.0000  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0094  0.0000
 -0.0094 -0.0021 -0.0000 -0.0002 -0.0002     -0.0000  0.0004 -0.0161  0.0003 -0.0411
  0.0000  0.0000 -0.0000 -0.0160 -0.0000      0.0000  0.0160  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0161 -0.0016 -0.0412      0.0094  0.0001  0.0000  0.0006 -0.0002
  0.0000  0.0002 -0.0000  0.0412 -0.0024      0.0001  0.0413 -0.0000  0.0002  0.0008
 
spin component  3
 
 -0.0001 -0.0094  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0094 -0.0001
  0.0094 -0.0021  0.0000 -0.0000  0.0002     -0.0000 -0.0004 -0.0160 -0.0001 -0.0413
  0.0000 -0.0000 -0.0000  0.0161 -0.0000     -0.0000  0.0161 -0.0000 -0.0000  0.0000
  0.0000 -0.0002 -0.0160 -0.0016  0.0412      0.0094 -0.0003  0.0000 -0.0006 -0.0002
  0.0000 -0.0002 -0.0000 -0.0412 -0.0024     -0.0000  0.0411 -0.0000  0.0002 -0.0008
 
spin component  4
 
  0.6065 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0192
 -0.0001  0.5471  0.0000  0.0001  0.0000      0.0000  0.0000  0.0000 -0.0398  0.0005
 -0.0000  0.0000  0.6086  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0000  0.5473  0.0002      0.0000  0.0398 -0.0000  0.0000  0.0001
 -0.0000  0.0000  0.0000  0.0002  0.5506      0.0192 -0.0005  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4656  v =  0.0012 -0.4325  0.0006 -0.1045 -0.0209 -0.0005 -0.3794 -0.0004 -0.0251  0.1021      0.0000 -0.1000 -0.0012  0.4238 -0.3770 -0.0002  0.0188 -0.0010 -0.3670 -0.4239
  o =  0.4674  v = -0.0005  0.3711 -0.0005  0.0455 -0.0719 -0.0008 -0.4314 -0.0004 -0.0711 -0.0457      0.0000  0.0508  0.0011 -0.3812 -0.4248 -0.0001  0.0747 -0.0011 -0.4423  0.3637
  o =  0.5713  v =  0.2299  0.5855  0.0299  0.0701  0.0009 -0.1168  0.2548  0.0671 -0.0328 -0.0187      0.0000 -0.0863  0.1018  0.4406 -0.2902  0.0147 -0.0358  0.4415  0.0195 -0.1454
  o =  0.5722  v = -0.0864  0.0546  0.2748 -0.1895  0.0014  0.2186 -0.4209 -0.0981 -0.3092 -0.1650      0.0000  0.0350 -0.3235  0.3061  0.1037  0.1347 -0.3131  0.1590  0.3107  0.2693
  o =  0.5734  v =  0.3508 -0.0302  0.1380  0.0508  0.0002 -0.2536 -0.0643 -0.0312 -0.1510  0.1692      0.0000  0.1193 -0.2477 -0.3335 -0.4057 -0.1461 -0.1497 -0.1667  0.4754 -0.2909
  o =  0.5756  v = -0.3964  0.3110  0.0850  0.1309  0.0002 -0.3876 -0.3002  0.0412 -0.0864  0.1804      0.0000  0.0467 -0.0872 -0.0960  0.4282 -0.1668 -0.0864  0.1051 -0.1204 -0.4201
  o =  0.6222  v = -0.4633  0.3295 -0.0245  0.0359  0.0008  0.3109  0.2336 -0.0720 -0.0107  0.0097      0.0000 -0.0253 -0.2519  0.1611 -0.2568  0.0189 -0.0118 -0.5767  0.0166 -0.1703
  o =  0.6226  v = -0.1138 -0.0746  0.5290  0.2792 -0.0030  0.1708  0.0736 -0.4076  0.2311  0.2122      0.0000 -0.0763 -0.0952 -0.1684 -0.0629  0.3691  0.2335  0.2775 -0.0092 -0.0971
  o =  0.6231  v =  0.4308  0.0636  0.2818  0.0078 -0.0000 -0.2552  0.0943 -0.1102  0.1278 -0.0819      0.0000 -0.0906 -0.4835  0.2149  0.2498 -0.1434  0.1279 -0.3066 -0.3454  0.1446
  o =  0.6243  v =  0.4963  0.2448 -0.1418  0.0943 -0.0000  0.5126 -0.2320 -0.0582 -0.0689  0.1330      0.0000  0.0368  0.1646 -0.0678  0.3108  0.2135 -0.0695 -0.1835 -0.0734 -0.3211
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6021 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0199
 -0.0001  0.5491  0.0000 -0.0003 -0.0000      0.0000 -0.0000 -0.0001  0.0428 -0.0015
 -0.0001  0.0000  0.6051  0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0001  0.5489 -0.0002      0.0000 -0.0428  0.0000  0.0000 -0.0003
 -0.0000 -0.0000 -0.0000 -0.0002  0.5595     -0.0199  0.0015 -0.0000  0.0003 -0.0000
 
spin component  2
 
  0.0002  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0002
 -0.0098  0.0048 -0.0000  0.0002  0.0001     -0.0000 -0.0005 -0.0168 -0.0005 -0.0430
 -0.0000  0.0000  0.0003 -0.0167  0.0001     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0168  0.0039 -0.0431      0.0098 -0.0003  0.0000 -0.0006  0.0001
 -0.0000 -0.0002  0.0001  0.0436  0.0060     -0.0002  0.0438  0.0000 -0.0002 -0.0008
 
spin component  3
 
  0.0002 -0.0098 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0002
  0.0098  0.0048  0.0000 -0.0000 -0.0002     -0.0000  0.0005 -0.0167  0.0003 -0.0438
  0.0000 -0.0000  0.0003  0.0168  0.0001      0.0000  0.0168  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0039  0.0436      0.0098  0.0005  0.0000  0.0006  0.0002
 -0.0000  0.0001  0.0001 -0.0431  0.0060      0.0002  0.0430 -0.0000 -0.0001  0.0008
 
spin component  4
 
  0.6023  0.0002 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0199
  0.0002  0.5526 -0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0001 -0.0441 -0.0018
 -0.0001 -0.0000  0.6053 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0001  0.5528  0.0001      0.0000  0.0441  0.0000 -0.0000 -0.0001
 -0.0000  0.0000 -0.0000  0.0001  0.5639      0.0199  0.0018  0.0000  0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4659  v =  0.0003 -0.2719 -0.0028 -0.4121 -0.2407  0.0027  0.2151  0.0012 -0.2295  0.3828      0.0000 -0.4233  0.0014  0.2573  0.2056  0.0042  0.2557 -0.0016  0.2028 -0.2423
  o =  0.4689  v = -0.0049 -0.3183 -0.0004 -0.0311 -0.0210  0.0064 -0.4840  0.0007 -0.0204  0.0283      0.0000 -0.0361  0.0021  0.3466 -0.4534  0.0007  0.0235  0.0032 -0.5031 -0.2845
  o =  0.5726  v = -0.3500  0.5120  0.0288  0.1146  0.0014 -0.1924 -0.2589  0.0934 -0.0303  0.0502      0.0000 -0.0715 -0.1035  0.3247  0.3673 -0.0455 -0.0315  0.4248 -0.0631 -0.2037
  o =  0.5751  v =  0.1844  0.1603 -0.0774  0.0782 -0.0001  0.3518  0.3962  0.1031  0.0703 -0.0304      0.0000 -0.1037  0.3364  0.4483 -0.1640  0.0329  0.0670  0.3345 -0.2117  0.3420
  o =  0.5773  v =  0.4078  0.1110  0.1013  0.0429  0.0030  0.0943 -0.2196  0.0461 -0.0837  0.0124      0.0000 -0.0360 -0.4678  0.2136 -0.3441 -0.0124 -0.0833  0.1990  0.5537  0.0728
  o =  0.5807  v =  0.3963  0.2635 -0.0327  0.0228 -0.0013 -0.5766  0.2958  0.0009  0.0242  0.0476      0.0000  0.0190  0.2304 -0.1146 -0.2876 -0.0634  0.0249  0.0996 -0.0381 -0.4287
  o =  0.6218  v =  0.4379  0.3702 -0.0466  0.0659  0.0003  0.2716 -0.2342 -0.1016 -0.0213  0.0364      0.0000 -0.0329  0.1797  0.1998  0.3007  0.0561 -0.0215 -0.5670 -0.0427 -0.1824
  o =  0.6238  v =  0.1656 -0.1411 -0.1495 -0.0251 -0.0015  0.3591 -0.3028  0.0756 -0.0835  0.0445      0.0000  0.0639  0.4339 -0.3810  0.1144  0.0570 -0.0850  0.4780  0.1758 -0.2718
  o =  0.6255  v = -0.4160  0.0849 -0.1252  0.0406  0.0000 -0.1458 -0.1637 -0.0634 -0.0754  0.0109      0.0000 -0.0335  0.5325  0.2060 -0.3294  0.0128 -0.0773 -0.2360  0.4858  0.1056
  o =  0.6299  v = -0.3576  0.2936  0.0304  0.0243  0.0003  0.5067  0.3053 -0.0004  0.0204  0.0546      0.0000  0.0250 -0.2018 -0.1460 -0.3445  0.0573  0.0220 -0.1046  0.0130 -0.4846
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6021 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0001  0.5489 -0.0000 -0.0003  0.0001     -0.0000  0.0000 -0.0000  0.0429 -0.0006
 -0.0001 -0.0000  0.6052  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5491 -0.0000      0.0000 -0.0429 -0.0000 -0.0000  0.0000
 -0.0000  0.0001  0.0000 -0.0000  0.5591     -0.0198  0.0006 -0.0000 -0.0000 -0.0000
 
spin component  2
 
  0.0000  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0013 -0.0000 -0.0001  0.0002     -0.0000 -0.0003 -0.0168 -0.0001 -0.0431
  0.0000  0.0000  0.0001 -0.0167  0.0000     -0.0000  0.0167  0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0168  0.0010 -0.0428      0.0098 -0.0003  0.0000 -0.0004  0.0001
 -0.0000 -0.0002  0.0000  0.0438  0.0016     -0.0000  0.0437  0.0000 -0.0002 -0.0004
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0013  0.0000  0.0001 -0.0002     -0.0000  0.0003 -0.0167  0.0003 -0.0437
 -0.0000 -0.0000  0.0001  0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0167  0.0010  0.0438      0.0098  0.0001  0.0000  0.0004  0.0002
 -0.0000  0.0002  0.0000 -0.0428  0.0016      0.0000  0.0431 -0.0000 -0.0001  0.0004
 
spin component  4
 
  0.6022  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0200
  0.0000  0.5528 -0.0000 -0.0003 -0.0001      0.0000 -0.0000 -0.0000 -0.0440 -0.0004
 -0.0001 -0.0000  0.6053 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003 -0.0000  0.5525  0.0002      0.0000  0.0440 -0.0000  0.0000 -0.0002
  0.0000 -0.0001  0.0000  0.0002  0.5643      0.0200  0.0004  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4667  v = -0.0008  0.5634  0.0004 -0.0390 -0.0641 -0.0071 -0.1850  0.0002 -0.0670  0.0365      0.0000 -0.0415 -0.0009 -0.5607 -0.1736  0.0005  0.0642  0.0003 -0.1777  0.5049
  o =  0.4682  v =  0.0040  0.1849  0.0002  0.0599 -0.0177 -0.0032  0.5545 -0.0001 -0.0184 -0.0533      0.0000  0.0609 -0.0003 -0.1937  0.5225 -0.0009  0.0181 -0.0010  0.5566  0.1638
  o =  0.5740  v =  0.1517 -0.5558 -0.0072 -0.1152  0.0003  0.0388  0.0624 -0.1111  0.0072 -0.0238      0.0000  0.0945 -0.0029 -0.5205 -0.1516  0.0210  0.0078 -0.5715  0.0700  0.0393
  o =  0.5764  v =  0.5207  0.0349 -0.3296 -0.0147 -0.0002  0.1971  0.2291  0.0297  0.2845 -0.0911      0.0000 -0.0639  0.0140  0.1931 -0.4612  0.1006  0.2850  0.1323  0.2056  0.1787
  o =  0.5769  v =  0.3728  0.0464  0.5192  0.0566  0.0010  0.0339  0.0760  0.0169 -0.4365  0.1023      0.0000  0.0262 -0.0887  0.0775 -0.3203 -0.1118 -0.4372  0.0721  0.2259  0.0290
  o =  0.5789  v = -0.2055 -0.2440  0.0792 -0.0194  0.0007  0.6654 -0.1833  0.0153 -0.0627 -0.0671      0.0000 -0.0390 -0.1409  0.2322  0.1641  0.0821 -0.0624 -0.0070  0.0366  0.5407
  o =  0.6230  v = -0.1853 -0.4164  0.0182 -0.0990  0.0004 -0.0514  0.0652  0.1704  0.0087 -0.0193      0.0000  0.0816 -0.0033 -0.3828 -0.1357 -0.0296  0.0094  0.7539  0.0592  0.0365
  o =  0.6248  v = -0.3997  0.0185  0.5912 -0.0247  0.0003 -0.1709  0.1648 -0.0258  0.3448 -0.0925      0.0000 -0.0573 -0.0293  0.1398 -0.3087 -0.1163  0.3457 -0.1361  0.1305  0.1333
  o =  0.6252  v =  0.5372 -0.0326  0.4618 -0.0435  0.0004  0.1288 -0.1599  0.0418  0.2764 -0.0465      0.0000  0.0051 -0.0734 -0.1280  0.4254 -0.0568  0.2776  0.1353 -0.2473 -0.1011
  o =  0.6276  v = -0.2049  0.2626  0.0635  0.0248  0.0006  0.6417  0.1624  0.0142  0.0415  0.0791      0.0000  0.0467 -0.1189 -0.2498 -0.1803  0.0900  0.0421 -0.0105  0.0039 -0.5629
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0193
 -0.0000  0.5484 -0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000  0.0415 -0.0004
 -0.0001 -0.0000  0.6080  0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5487  0.0001      0.0000 -0.0415 -0.0000  0.0000  0.0003
 -0.0000 -0.0000  0.0000  0.0001  0.5538     -0.0193  0.0004 -0.0000 -0.0003  0.0000
 
spin component  2
 
  0.0001  0.0095 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0096 -0.0000
 -0.0096  0.0005 -0.0000 -0.0000  0.0001     -0.0000  0.0007 -0.0165 -0.0000 -0.0424
 -0.0000  0.0000  0.0001 -0.0165 -0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0166  0.0004 -0.0423      0.0096  0.0000  0.0000  0.0007  0.0000
  0.0000 -0.0001 -0.0000  0.0425  0.0007     -0.0000  0.0426 -0.0000 -0.0001  0.0008
 
spin component  3
 
  0.0001 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0096  0.0000
  0.0095  0.0005  0.0000 -0.0000 -0.0001     -0.0000 -0.0007 -0.0164 -0.0000 -0.0426
 -0.0000 -0.0000  0.0001  0.0166 -0.0000     -0.0000  0.0165 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0165  0.0004  0.0425      0.0096  0.0000  0.0000 -0.0007  0.0001
  0.0000  0.0001 -0.0000 -0.0423  0.0007      0.0000  0.0424  0.0000 -0.0000 -0.0008
 
spin component  4
 
  0.6063  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0194
  0.0000  0.5540  0.0000 -0.0002 -0.0000      0.0000  0.0000 -0.0000 -0.0436 -0.0004
 -0.0001  0.0000  0.6085 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5542 -0.0001      0.0000  0.0436 -0.0000 -0.0000  0.0003
  0.0000 -0.0000  0.0000 -0.0001  0.5603      0.0194  0.0004  0.0000 -0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4678  v =  0.0003  0.2159 -0.0003 -0.5481  0.0548 -0.0020  0.0184 -0.0002  0.0582  0.5036      0.0000 -0.5500  0.0003 -0.2175  0.0134  0.0053 -0.0534 -0.0003  0.0149  0.1991
  o =  0.4685  v = -0.0002  0.0515 -0.0000  0.0264  0.2247 -0.0003 -0.5302 -0.0005  0.2252 -0.0250      0.0000  0.0321  0.0003 -0.0503 -0.5256 -0.0005 -0.2270 -0.0000 -0.5291  0.0493
  o =  0.5742  v =  0.1012 -0.3350 -0.0035  0.4731 -0.0002  0.0046  0.0561  0.4514  0.0027  0.0012      0.0000 -0.4693  0.0019 -0.3306 -0.1140 -0.0036  0.0029 -0.3188  0.0507  0.0037
  o =  0.5767  v = -0.5977  0.0012 -0.0163  0.0221 -0.0002 -0.1145 -0.2898  0.0796  0.0132 -0.1188      0.0000 -0.1326  0.0127 -0.1111  0.6049  0.1119  0.0129 -0.0563 -0.3123 -0.1218
  o =  0.5787  v = -0.1134 -0.1176  0.4858  0.1377 -0.0010  0.2480 -0.1504  0.0175 -0.4315  0.2751      0.0000  0.1082 -0.1099  0.1012  0.1095 -0.2782 -0.4318 -0.0088  0.0452  0.2451
  o =  0.5794  v = -0.1289 -0.1747 -0.3776  0.1578  0.0006  0.3840 -0.0186  0.0129  0.3247  0.3253      0.0000  0.1392  0.0438  0.1599  0.1153 -0.3419  0.3259 -0.0101 -0.0941  0.3660
  o =  0.6242  v = -0.2881 -0.2195  0.0218  0.3088  0.0001 -0.0309  0.0892 -0.6330  0.0122  0.0120      0.0000 -0.2953  0.0003 -0.1994 -0.1852  0.0187  0.0123  0.4387  0.0917  0.0209
  o =  0.6249  v =  0.7018 -0.0496  0.0200  0.0824 -0.0001  0.1196 -0.2278 -0.2443  0.0129 -0.0830      0.0000 -0.1607 -0.0068 -0.1218  0.4652 -0.1288  0.0127  0.1721 -0.2358 -0.0763
  o =  0.6265  v = -0.1210  0.1219  0.5657 -0.1399  0.0000  0.3319  0.1188  0.0359  0.3176 -0.2607      0.0000 -0.1005 -0.1361 -0.0986 -0.0875 -0.3627  0.3165 -0.0228 -0.0344 -0.2390
  o =  0.6271  v =  0.1135 -0.1320  0.5081  0.1385  0.0003 -0.3876  0.0131 -0.0086  0.2945  0.2818      0.0000  0.1254 -0.0966  0.1352  0.0870  0.3833  0.2943 -0.0075 -0.0986  0.2854
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6050  0.0001 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0189
  0.0001  0.5399 -0.0000 -0.0002 -0.0000      0.0000 -0.0000  0.0000  0.0370  0.0013
 -0.0001 -0.0000  0.6072 -0.0001  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0001  0.5409  0.0005     -0.0000 -0.0370  0.0000 -0.0000 -0.0001
  0.0000 -0.0000  0.0000  0.0005  0.5496     -0.0189 -0.0013 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0095 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0028 -0.0000 -0.0000  0.0002     -0.0000  0.0000 -0.0166  0.0005 -0.0396
 -0.0000 -0.0000 -0.0001 -0.0161 -0.0000      0.0000  0.0161 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0165 -0.0025 -0.0388      0.0095  0.0004  0.0000 -0.0001  0.0002
 -0.0000 -0.0001 -0.0000  0.0405 -0.0029      0.0001  0.0412  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0028 -0.0000 -0.0001 -0.0001     -0.0000 -0.0000 -0.0161 -0.0004 -0.0412
 -0.0000 -0.0000 -0.0001  0.0165 -0.0000     -0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0161 -0.0025  0.0405      0.0095 -0.0005  0.0000  0.0001  0.0000
 -0.0000  0.0002 -0.0000 -0.0388 -0.0029     -0.0001  0.0396 -0.0000 -0.0002  0.0001
 
spin component  4
 
  0.6057 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0192
 -0.0001  0.5552 -0.0000 -0.0004  0.0000      0.0000  0.0000  0.0000 -0.0433  0.0014
 -0.0001 -0.0000  0.6079  0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5562 -0.0005     -0.0000  0.0433  0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000 -0.0005  0.5634      0.0192 -0.0014  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4681  v = -0.0012  0.6029  0.0001 -0.0038  0.0095 -0.0111  0.0968  0.0002  0.0088  0.0043      0.0000 -0.0056  0.0021 -0.5913  0.0962  0.0000 -0.0090  0.0013  0.0779  0.5116
  o =  0.4726  v =  0.0013  0.0888  0.0001  0.0088 -0.0009 -0.0031 -0.5696  0.0000 -0.0015 -0.0073      0.0000  0.0086 -0.0008 -0.1063 -0.5760 -0.0002  0.0001 -0.0019 -0.5646  0.0746
  o =  0.5648  v =  0.1127  0.6121 -0.0044 -0.0091 -0.0006 -0.0087  0.0663 -0.0069  0.0067  0.0026      0.0000  0.0096 -0.0047  0.6051 -0.1669  0.0007  0.0059  0.4547  0.0823 -0.0167
  o =  0.5727  v =  0.5444 -0.0479 -0.0126 -0.0008 -0.0002 -0.1534  0.3509  0.0010  0.0153 -0.0060      0.0000 -0.0040  0.0326 -0.2156 -0.6135  0.0039  0.0149 -0.1211  0.2824 -0.1886
  o =  0.5777  v =  0.1572 -0.2237  0.0014 -0.0090  0.0014  0.4678 -0.2785  0.0064 -0.0003 -0.0308      0.0000 -0.0165 -0.3948  0.1698 -0.1468  0.0292 -0.0002 -0.0312  0.4264  0.4875
  o =  0.5804  v =  0.0950 -0.1699  0.1320  0.0352 -0.0032  0.4153  0.4304  0.0009 -0.1065  0.0848      0.0000  0.0388  0.4891  0.1601 -0.0817 -0.0920 -0.1052 -0.0048 -0.3596  0.3812
  o =  0.6197  v = -0.3243  0.3100  0.0086 -0.0184 -0.0000  0.0433  0.0837  0.0419  0.0029 -0.0056      0.0000  0.0130  0.0052  0.2922 -0.1715 -0.0045  0.0025 -0.8157  0.0831 -0.0216
  o =  0.6218  v =  0.7177  0.0843 -0.0141 -0.0057  0.0002 -0.2122 -0.2298  0.0184 -0.0042  0.0037      0.0000  0.0085  0.0357  0.1967  0.4201  0.0088 -0.0042 -0.3284 -0.2007  0.1207
  o =  0.6253  v = -0.1719 -0.2110  0.0242  0.0016 -0.0013 -0.6018 -0.1854  0.0002  0.0134 -0.0008      0.0000 -0.0025  0.4495  0.1626 -0.1242 -0.0022  0.0115  0.0448  0.3091  0.4325
  o =  0.6277  v =  0.0856  0.1487  0.1358 -0.0246 -0.0010  0.4016 -0.4042 -0.0051  0.0859 -0.0565      0.0000 -0.0270  0.6030 -0.1379  0.0711 -0.0725  0.0823 -0.0126  0.3396 -0.3167
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6073 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5567  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0000  0.0495 -0.0001
 -0.0001  0.0000  0.6094 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5565  0.0000      0.0000 -0.0495 -0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000  0.0000  0.5642     -0.0199  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0000  0.0099  0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0003 -0.0000  0.0001  0.0001     -0.0000 -0.0002 -0.0167  0.0000 -0.0493
  0.0000  0.0000 -0.0000 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0002 -0.0494      0.0098  0.0000  0.0000 -0.0002  0.0001
 -0.0000 -0.0002 -0.0000  0.0488  0.0002     -0.0000  0.0490  0.0000 -0.0002 -0.0003
 
spin component  3
 
 -0.0000 -0.0098  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098  0.0000
  0.0099  0.0003  0.0000  0.0001 -0.0002     -0.0000  0.0002 -0.0169 -0.0000 -0.0490
  0.0000 -0.0000 -0.0000  0.0167 -0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0169  0.0002  0.0488      0.0098 -0.0000  0.0000  0.0002  0.0002
 -0.0000  0.0001  0.0000 -0.0494  0.0002      0.0000  0.0493 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6070 -0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0198
 -0.0000  0.5490 -0.0000 -0.0002 -0.0000      0.0000 -0.0000 -0.0000 -0.0476 -0.0001
 -0.0001 -0.0000  0.6092  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5492 -0.0000      0.0000  0.0476 -0.0000  0.0000 -0.0001
  0.0000 -0.0000  0.0000 -0.0000  0.5574      0.0198  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4564  v = -0.0062  0.0023  0.0001  0.0271  0.0027 -0.0000 -0.5938  0.0001  0.0024 -0.0271      0.0000  0.0257 -0.0001 -0.0008 -0.5417  0.0001 -0.0034  0.0001 -0.5931  0.0020
  o =  0.4587  v =  0.0004  0.1238  0.0002  0.5653  0.0038 -0.0002  0.0280 -0.0001  0.0030 -0.5598      0.0000  0.5654  0.0001 -0.1226  0.0242 -0.0006 -0.0048  0.0001  0.0269  0.1219
  o =  0.5786  v = -0.0109  0.0166  0.4565  0.0005  0.0018 -0.0292 -0.3751  0.0006 -0.4226 -0.0001      0.0000 -0.0009 -0.4001 -0.0089  0.0134  0.0005 -0.4209  0.0034  0.3644 -0.0280
  o =  0.5822  v = -0.0723  0.2157 -0.0292  0.2697  0.0001 -0.4616 -0.0306  0.0686  0.0239  0.4299      0.0000  0.1556 -0.0022 -0.1677  0.0623 -0.5119  0.0242  0.0283 -0.0263 -0.3876
  o =  0.5837  v =  0.1512 -0.2804 -0.0007 -0.3676 -0.0007 -0.0497  0.0502 -0.5301  0.0014  0.0645      0.0000  0.4316 -0.0078 -0.3183 -0.1251 -0.0844  0.0010 -0.3972  0.0603 -0.0373
  o =  0.5841  v = -0.7024 -0.0828 -0.0093 -0.1067 -0.0003  0.0406 -0.2498 -0.1234  0.0048 -0.0306      0.0000  0.0774  0.0059 -0.0515  0.5665  0.0381  0.0046 -0.0910 -0.2603  0.0325
  o =  0.6275  v = -0.0163 -0.0126  0.7761 -0.0025  0.0004 -0.0283  0.0933 -0.0035  0.4199 -0.0095      0.0000 -0.0062 -0.1644  0.0070 -0.0098 -0.0133  0.4199  0.0066 -0.0848  0.0208
  o =  0.6305  v =  0.0717  0.2039  0.0305  0.3082 -0.0003  0.4488 -0.0301 -0.1555  0.0189  0.4236      0.0000  0.1119  0.0056 -0.1508  0.0581  0.5305  0.0186 -0.0442 -0.0243 -0.3578
  o =  0.6316  v =  0.0579  0.3591 -0.0027  0.2301 -0.0004 -0.0152 -0.0144 -0.4439 -0.0013 -0.1298      0.0000 -0.3595 -0.0112  0.3736  0.0493 -0.1548 -0.0015 -0.5513 -0.0296  0.0140
  o =  0.6326  v =  0.6853 -0.0520  0.0103 -0.0516 -0.0000 -0.0430 -0.2751  0.0515  0.0085 -0.0338      0.0000  0.0189 -0.0024 -0.0159  0.5996 -0.0390  0.0085  0.0488 -0.2794  0.0370
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069 -0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0195
 -0.0000  0.5553 -0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0431 -0.0002
 -0.0001 -0.0000  0.6093  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5558 -0.0000     -0.0000 -0.0431  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000 -0.0000  0.5614     -0.0195  0.0002 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0096  0.0006 -0.0000  0.0000  0.0002     -0.0000 -0.0003 -0.0163 -0.0000 -0.0448
 -0.0000  0.0000  0.0000 -0.0166  0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0163  0.0003 -0.0447      0.0096 -0.0000  0.0000 -0.0006  0.0002
 -0.0000 -0.0002  0.0000  0.0442  0.0006     -0.0000  0.0438  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0096 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0000
  0.0096  0.0006  0.0000  0.0000 -0.0002     -0.0000  0.0003 -0.0165  0.0000 -0.0438
  0.0000 -0.0000  0.0000  0.0163  0.0000      0.0000  0.0163  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0166  0.0003  0.0442      0.0096  0.0000  0.0000  0.0006  0.0001
 -0.0000  0.0002  0.0000 -0.0447  0.0006      0.0000  0.0448 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6065  0.0000 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0193
  0.0000  0.5460  0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0000 -0.0401 -0.0002
 -0.0001  0.0000  0.6089 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5461  0.0000     -0.0000  0.0401  0.0000  0.0000 -0.0002
  0.0000  0.0000 -0.0000  0.0000  0.5528      0.0193  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4646  v =  0.0052 -0.0332 -0.0001 -0.0251 -0.0046 -0.0004  0.5909 -0.0004 -0.0042  0.0253      0.0000 -0.0218  0.0002  0.0300  0.5452 -0.0003  0.0058 -0.0003  0.5904 -0.0338
  o =  0.4673  v = -0.0006 -0.4471 -0.0005 -0.3550  0.0016 -0.0019 -0.0417 -0.0000  0.0040  0.3648      0.0000 -0.3543  0.0000  0.4464 -0.0367 -0.0015  0.0008 -0.0001 -0.0423 -0.4597
  o =  0.5719  v = -0.0095  0.0085  0.5234  0.0064  0.0003 -0.0202 -0.0212 -0.0047 -0.6013  0.0260      0.0000  0.0165 -0.0132 -0.0141  0.0148 -0.0205 -0.6005 -0.0026  0.0089 -0.0259
  o =  0.5782  v =  0.0898 -0.3312  0.0313 -0.2071  0.0005  0.4600  0.0401  0.0054 -0.0293 -0.4064      0.0000 -0.2132 -0.0033  0.1295 -0.0927  0.4188 -0.0295 -0.1069  0.0462  0.4455
  o =  0.5798  v =  0.1225 -0.2486 -0.0065 -0.4406  0.0005 -0.1277  0.0563 -0.4920  0.0060 -0.0167      0.0000  0.4236  0.0046 -0.3676 -0.1197  0.0152  0.0075 -0.3502  0.0483 -0.1142
  o =  0.5811  v = -0.6578 -0.0922 -0.0110 -0.1114  0.0003  0.0483 -0.2744 -0.0966  0.0068 -0.0605      0.0000  0.0507  0.0008 -0.0515  0.6007  0.0697  0.0072 -0.0854 -0.2748  0.0415
  o =  0.6235  v = -0.0177 -0.0075  0.8488 -0.0073 -0.0005 -0.0414  0.0027 -0.0106  0.3697 -0.0271      0.0000 -0.0186  0.0013  0.0169 -0.0077 -0.0444  0.3693 -0.0088  0.0039  0.0255
  o =  0.6262  v =  0.1089  0.2467  0.0610  0.1704  0.0000  0.5480 -0.0320  0.0086  0.0312  0.3465      0.0000  0.1841 -0.0055 -0.1322  0.0730  0.5135  0.0315 -0.1107 -0.0373 -0.3702
  o =  0.6277  v = -0.1662 -0.2039  0.0159 -0.3525 -0.0003  0.1116  0.0606  0.6123  0.0074 -0.0088      0.0000  0.3437 -0.0086 -0.2891 -0.1232 -0.0148  0.0077  0.4340  0.0517 -0.0827
  o =  0.6288  v = -0.7101  0.0864 -0.0094  0.1099 -0.0001  0.0506  0.2544 -0.1363 -0.0071  0.0572      0.0000 -0.0527  0.0009  0.0477 -0.5448  0.0746 -0.0072 -0.1131  0.2551 -0.0393
     EDDAV:  cpu time   73.1461: real time   73.9553
       DOS:  cpu time    0.0487: real time    0.0490
    CHARGE:  cpu time    1.1671: real time    1.1788
    MIXING:  cpu time    0.0322: real time    0.0325
    --------------------------------------------
      LOOP:  cpu time   75.3074: real time   76.1361

 eigenvalue-minimisations  : 13064
 total energy-change (2. order) : 0.1304734E+00  (-0.2082631E-01)
 number of electron    1039.9999692 magnetization       0.0291968     -0.0022296     -0.0410238
 augmentation part       28.5056194 magnetization       0.0106445     -0.0038452      0.0083730

 Broyden mixing:
  rms(total) = 0.91132E+00    rms(broyden)= 0.91131E+00
  rms(prec ) = 0.96931E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5827
  2.1262  1.1037  1.1037  0.5699  0.5699  0.3957  0.3957  0.2030  0.1557  0.1557
  0.1180  0.0952

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17405.45456090
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.60164888
  PAW double counting   =     84426.05592578   -83246.80153351
  entropy T*S    EENTRO =        -0.15418378
  eigenvalues    EBANDS =     -6108.10380424
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.32921776 eV

  energy without entropy =    -1066.17503398  energy(sigma->0) =    -1066.27782317


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  18)  ---------------------------------------


    POTLOK:  cpu time    0.4723: real time    0.4779
    SETDIJ:  cpu time    0.4448: real time    0.4468
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6047 -0.0000 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0192
 -0.0000  0.5403 -0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0000  0.0359 -0.0011
 -0.0000 -0.0000  0.6071  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5417 -0.0001      0.0000 -0.0359 -0.0000 -0.0000  0.0009
 -0.0000 -0.0001  0.0001 -0.0001  0.5483     -0.0192  0.0011 -0.0000 -0.0009  0.0000
 
spin component  2
 
  0.0001  0.0096 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0096 -0.0001
 -0.0095  0.0020 -0.0000 -0.0002  0.0000     -0.0000  0.0015 -0.0166 -0.0002 -0.0397
 -0.0000 -0.0000  0.0001 -0.0162  0.0000     -0.0000  0.0162  0.0001 -0.0000 -0.0000
 -0.0000 -0.0002  0.0165  0.0016 -0.0390      0.0095 -0.0001  0.0000  0.0018  0.0001
  0.0001  0.0000  0.0000  0.0409  0.0022     -0.0001  0.0410 -0.0000  0.0000  0.0022
 
spin component  3
 
  0.0001 -0.0095 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0095  0.0001
  0.0096  0.0020 -0.0000 -0.0002  0.0000     -0.0000 -0.0015 -0.0162  0.0001 -0.0410
 -0.0000 -0.0000  0.0001  0.0165  0.0000      0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0162  0.0016  0.0409      0.0096  0.0002  0.0000 -0.0018 -0.0000
  0.0001  0.0000  0.0000 -0.0390  0.0022      0.0001  0.0397  0.0000 -0.0001 -0.0022
 
spin component  4
 
  0.6055  0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0195
  0.0001  0.5534  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0418 -0.0011
 -0.0000  0.0000  0.6077 -0.0000  0.0001      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5542  0.0001      0.0000  0.0418 -0.0000  0.0000  0.0010
 -0.0000  0.0001  0.0001  0.0001  0.5618      0.0195  0.0011  0.0000 -0.0010  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v =  0.0014  0.3792 -0.0018 -0.4553 -0.0058 -0.0055 -0.0903  0.0004  0.0032  0.4035      0.0000 -0.4602  0.0000 -0.3717 -0.1006  0.0066  0.0137  0.0007 -0.0905  0.3308
  o =  0.4717  v = -0.0026  0.0645 -0.0003 -0.0652 -0.0152 -0.0019  0.5681  0.0015 -0.0133  0.0570      0.0000 -0.0789  0.0006 -0.0759  0.5786  0.0019  0.0168 -0.0012  0.5613  0.0555
  o =  0.5643  v = -0.1085  0.4693  0.0016 -0.4092  0.0004 -0.0186 -0.0749 -0.2990  0.0008 -0.0081      0.0000  0.3941 -0.0025  0.4488  0.1597  0.0073 -0.0003  0.3421 -0.0693 -0.0300
  o =  0.5717  v =  0.5363  0.0357  0.0386 -0.0174 -0.0003  0.1143  0.3085 -0.0757 -0.0405  0.1462      0.0000  0.1484 -0.0078  0.1647 -0.6097 -0.1179 -0.0404  0.0902  0.3285  0.1410
  o =  0.5764  v =  0.1407  0.1010 -0.4982 -0.1280  0.0025 -0.2150  0.0663 -0.0164  0.4641 -0.2676      0.0000 -0.0915 -0.0014 -0.0859 -0.1370  0.2504  0.4612  0.0073  0.0693 -0.2296
  o =  0.5791  v =  0.1423  0.1666  0.3605 -0.1577 -0.0017 -0.3959  0.0951 -0.0111 -0.3043 -0.3390      0.0000 -0.1399  0.0420 -0.1626 -0.1241  0.3586 -0.3026  0.0055  0.0240 -0.3740
  o =  0.6196  v =  0.3118  0.2320 -0.0056 -0.2156  0.0000  0.0449 -0.0790  0.5571 -0.0058 -0.0183      0.0000  0.1954 -0.0017  0.2127  0.1637 -0.0391 -0.0058 -0.6038 -0.0813 -0.0225
  o =  0.6215  v =  0.7223 -0.0611  0.0508  0.0507 -0.0000  0.1500 -0.1995 -0.2168  0.0245 -0.0877      0.0000 -0.1316 -0.0287 -0.1395  0.4167 -0.1576  0.0243  0.2358 -0.2296 -0.0822
  o =  0.6248  v = -0.1504  0.0828  0.6436 -0.1218 -0.0003  0.2398  0.0794  0.0309  0.3466 -0.2445      0.0000 -0.0916 -0.0517 -0.0615 -0.1057 -0.3517  0.3434 -0.0258  0.0247 -0.1669
  o =  0.6268  v = -0.1378  0.1615 -0.4370 -0.1316 -0.0001  0.4578  0.1026  0.0032 -0.2610 -0.2791      0.0000 -0.1219 -0.0844 -0.1531 -0.1087 -0.3697 -0.2592 -0.0072  0.0025 -0.3455
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0001  0.0000  0.0194
  0.0001  0.5435  0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0380  0.0012
 -0.0000  0.0000  0.6077 -0.0000 -0.0000     -0.0001 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0000  0.5429  0.0003     -0.0000 -0.0380  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0000  0.0003  0.5501     -0.0194 -0.0012 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0023  0.0000  0.0000 -0.0000     -0.0000 -0.0001 -0.0167  0.0002 -0.0410
  0.0000  0.0000 -0.0001 -0.0164 -0.0000      0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0167 -0.0021 -0.0414      0.0097  0.0002 -0.0000 -0.0001 -0.0000
 -0.0000 -0.0000 -0.0000  0.0419 -0.0024      0.0001  0.0418  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0023  0.0000  0.0000 -0.0000     -0.0000  0.0001 -0.0164 -0.0002 -0.0418
 -0.0000  0.0000 -0.0001  0.0167 -0.0000     -0.0000  0.0167  0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0164 -0.0021  0.0419      0.0097 -0.0002  0.0000  0.0001  0.0000
  0.0000 -0.0000 -0.0000 -0.0414 -0.0024     -0.0001  0.0410 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6061 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5537 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0428  0.0013
 -0.0000 -0.0000  0.6082  0.0000 -0.0001     -0.0000 -0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000  0.0000  0.5532 -0.0003     -0.0000  0.0428  0.0000  0.0000 -0.0000
  0.0000 -0.0000 -0.0001 -0.0003  0.5597      0.0196 -0.0013  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4672  v =  0.0011 -0.5837 -0.0001  0.0080 -0.0011  0.0067 -0.1146 -0.0000 -0.0010 -0.0072      0.0000  0.0080 -0.0013  0.5849 -0.1165 -0.0001  0.0018  0.0000 -0.1013 -0.5292
  o =  0.4689  v = -0.0012 -0.1089 -0.0001  0.0050  0.0227  0.0023  0.5604  0.0000  0.0227 -0.0038      0.0000  0.0050 -0.0007  0.1242  0.5707 -0.0002 -0.0222  0.0016  0.5673 -0.0980
  o =  0.5675  v = -0.1177 -0.6080 -0.0010  0.0323 -0.0005  0.0134 -0.0744  0.0258  0.0016  0.0009      0.0000 -0.0315 -0.0028 -0.5871  0.1593 -0.0009  0.0013 -0.4823 -0.0710  0.0163
  o =  0.5737  v =  0.5403 -0.0161  0.0069  0.0028 -0.0001 -0.2077  0.3683  0.0063 -0.0066 -0.0084      0.0000 -0.0107  0.0635 -0.2365 -0.5843  0.0073 -0.0067 -0.1210  0.2334 -0.2412
  o =  0.5767  v =  0.2032 -0.1983 -0.0344  0.0080  0.0008  0.3746 -0.3176  0.0009  0.0319  0.0169      0.0000  0.0067 -0.4473  0.1386 -0.1977 -0.0162  0.0327 -0.0331  0.5105  0.3927
  o =  0.5790  v =  0.1308 -0.2223  0.0265  0.0060 -0.0006  0.4794  0.4188  0.0020 -0.0220  0.0114      0.0000  0.0044  0.4211  0.1906 -0.1161 -0.0123 -0.0229 -0.0154 -0.3041  0.4542
  o =  0.6214  v = -0.2880  0.3408 -0.0018 -0.0164  0.0002  0.0586  0.0899  0.0385 -0.0007 -0.0019      0.0000  0.0145 -0.0206  0.3098 -0.1603 -0.0021 -0.0004 -0.8124  0.0662 -0.0302
  o =  0.6234  v = -0.7045 -0.0666 -0.0065  0.0047 -0.0000  0.2454  0.2509 -0.0143 -0.0038 -0.0032      0.0000 -0.0079 -0.0692 -0.2029 -0.4305 -0.0065 -0.0038  0.2965  0.1886 -0.1446
  o =  0.6255  v = -0.2019 -0.1645  0.0412  0.0060 -0.0003 -0.4787 -0.2446 -0.0009  0.0221  0.0126      0.0000  0.0053  0.5863  0.1323 -0.1437  0.0178  0.0218  0.0237  0.3849  0.3307
  o =  0.6273  v = -0.1259 -0.1988 -0.0231  0.0023  0.0007 -0.5410  0.3489  0.0003 -0.0139  0.0040      0.0000  0.0013 -0.5151  0.1734 -0.0960  0.0058 -0.0134  0.0235 -0.2541  0.3993
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5536 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0431 -0.0002
 -0.0000 -0.0000  0.6083  0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000  0.0000  0.5535 -0.0000      0.0000 -0.0431 -0.0000  0.0000 -0.0001
  0.0000  0.0000 -0.0000 -0.0000  0.5605     -0.0198  0.0002 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0097 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0005 -0.0000  0.0000  0.0000     -0.0000 -0.0002 -0.0165 -0.0000 -0.0435
  0.0000 -0.0000  0.0000 -0.0167  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0165  0.0004 -0.0435      0.0097 -0.0000  0.0000 -0.0003  0.0000
 -0.0000  0.0000  0.0000  0.0427  0.0005     -0.0000  0.0426  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0005 -0.0000 -0.0000  0.0000     -0.0000  0.0002 -0.0168  0.0000 -0.0426
 -0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0167  0.0004  0.0427      0.0097  0.0000  0.0000  0.0003 -0.0000
 -0.0000  0.0000  0.0000 -0.0435  0.0005      0.0000  0.0435 -0.0000 -0.0000  0.0002
 
spin component  4
 
  0.6056  0.0000 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5447 -0.0000 -0.0001 -0.0000      0.0000  0.0000 -0.0000 -0.0399 -0.0002
 -0.0000 -0.0000  0.6079 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5444  0.0000      0.0000  0.0399 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0000 -0.0000  0.0000  0.5519      0.0196  0.0002  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4650  v = -0.0063  0.0184  0.0000  0.0140 -0.0025  0.0002 -0.5937  0.0002 -0.0030 -0.0141      0.0000  0.0122  0.0000 -0.0150 -0.5404  0.0002  0.0025  0.0003 -0.5950  0.0183
  o =  0.4674  v =  0.0005  0.4267  0.0005  0.3855 -0.0010  0.0010  0.0222 -0.0001 -0.0035 -0.3889      0.0000  0.3849 -0.0001 -0.4273  0.0192  0.0009 -0.0002  0.0001  0.0239  0.4312
  o =  0.5702  v = -0.0030 -0.0130  0.2231  0.0138 -0.0006  0.0203  0.5430  0.0008 -0.2572  0.0292      0.0000  0.0121  0.4711  0.0097  0.0045 -0.0230 -0.2582 -0.0018 -0.5455  0.0254
  o =  0.5757  v =  0.0608 -0.3112  0.0217 -0.0958 -0.0002  0.5886  0.0072  0.0082 -0.0209 -0.2029      0.0000 -0.1099 -0.0235  0.2927 -0.0650  0.2005 -0.0217 -0.0091  0.0531  0.5963
  o =  0.5779  v = -0.1696  0.4720  0.0015  0.2312 -0.0002  0.0251 -0.0753  0.2561 -0.0017  0.0043      0.0000 -0.2270 -0.0017  0.4952  0.1689 -0.0028 -0.0018  0.5403 -0.0726  0.0238
  o =  0.5789  v =  0.6371  0.1562  0.0007  0.0712 -0.0002 -0.0579  0.2775  0.0703  0.0002  0.0216      0.0000 -0.0506  0.0047  0.1050 -0.6062 -0.0236  0.0002  0.1511  0.2678 -0.0523
  o =  0.6226  v =  0.0030 -0.0169 -0.3775  0.0121  0.0015 -0.0426  0.3292  0.0006 -0.1638  0.0267      0.0000  0.0134 -0.7621  0.0074  0.0020  0.0450 -0.1628  0.0084 -0.3302  0.0255
  o =  0.6248  v = -0.0739 -0.2427 -0.0422 -0.0912 -0.0001 -0.7144  0.0002 -0.0111 -0.0210 -0.1946      0.0000 -0.1048  0.0458  0.2276 -0.0476 -0.2979 -0.0213  0.0142  0.0450  0.4672
  o =  0.6266  v =  0.2046  0.3671 -0.0069  0.1889 -0.0001 -0.0296 -0.0662 -0.3360 -0.0029  0.0028      0.0000 -0.1863 -0.0029  0.3881  0.1477  0.0052 -0.0030 -0.6762 -0.0679  0.0218
  o =  0.6274  v = -0.7171  0.1306  0.0019  0.0639 -0.0001  0.0575  0.2503 -0.0922  0.0006  0.0216      0.0000 -0.0428 -0.0082  0.0881 -0.5322  0.0292  0.0005 -0.1887  0.2416 -0.0433
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0195
 -0.0000  0.5549  0.0000 -0.0001  0.0001     -0.0000 -0.0000 -0.0000  0.0429 -0.0003
 -0.0000  0.0000  0.6080  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5550 -0.0000      0.0000 -0.0429  0.0000 -0.0000 -0.0004
  0.0000  0.0001  0.0000 -0.0000  0.5620     -0.0195  0.0003 -0.0000  0.0004 -0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0096 -0.0000
 -0.0096  0.0007  0.0000  0.0001 -0.0000     -0.0000 -0.0007 -0.0161 -0.0000 -0.0409
  0.0000  0.0000  0.0000 -0.0166  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0161  0.0005 -0.0410      0.0096 -0.0000  0.0000 -0.0008 -0.0000
 -0.0000 -0.0000  0.0000  0.0398  0.0007     -0.0000  0.0396  0.0000 -0.0001 -0.0009
 
spin component  3
 
  0.0000 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0000
  0.0096  0.0007  0.0000  0.0001 -0.0000     -0.0000  0.0007 -0.0166  0.0000 -0.0396
  0.0000  0.0000  0.0000  0.0161  0.0000     -0.0000  0.0161  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0166  0.0005  0.0398      0.0096  0.0000  0.0000  0.0008  0.0001
 -0.0000 -0.0000  0.0000 -0.0410  0.0007      0.0000  0.0409 -0.0000  0.0000  0.0009
 
spin component  4
 
  0.6048  0.0000 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0193
  0.0000  0.5402 -0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0000 -0.0366 -0.0003
 -0.0000 -0.0000  0.6074 -0.0000  0.0001      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5404  0.0000      0.0000  0.0366  0.0000  0.0000 -0.0004
  0.0000 -0.0001  0.0001  0.0000  0.5486      0.0193  0.0003  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4680  v =  0.0095 -0.0251 -0.0001 -0.0317 -0.0031 -0.0003  0.6016 -0.0006 -0.0032  0.0322      0.0000 -0.0265 -0.0000  0.0211  0.5223 -0.0004  0.0038 -0.0004  0.6006 -0.0255
  o =  0.4713  v = -0.0011 -0.3760 -0.0008 -0.4294 -0.0013 -0.0018 -0.0420 -0.0001  0.0017  0.4410      0.0000 -0.4295 -0.0002  0.3763 -0.0324 -0.0021  0.0053  0.0002 -0.0404 -0.3862
  o =  0.5647  v =  0.0026 -0.0133  0.0945  0.0226 -0.0010  0.0168  0.6114 -0.0010 -0.1263  0.0546      0.0000  0.0260  0.4555  0.0086 -0.0043 -0.0378 -0.1270 -0.0022 -0.6090  0.0247
  o =  0.5723  v = -0.0678  0.2283 -0.0429  0.2575 -0.0002 -0.3754 -0.0479  0.0013  0.0468  0.4935      0.0000  0.2525 -0.0101 -0.2047  0.0823 -0.4417  0.0468  0.0112 -0.0258 -0.4190
  o =  0.5775  v =  0.5941 -0.0897 -0.0059 -0.1455 -0.0002 -0.0524  0.2520 -0.1890  0.0061  0.0516      0.0000  0.1959 -0.0046 -0.1375 -0.6052 -0.0554  0.0060 -0.1257  0.2613 -0.0487
  o =  0.5789  v =  0.2440  0.2862 -0.0002  0.4299  0.0006 -0.0062  0.1023  0.4900 -0.0003  0.0197      0.0000 -0.4112  0.0004  0.2809 -0.2333 -0.0221 -0.0002  0.3305  0.1026 -0.0059
  o =  0.6200  v = -0.0041 -0.0225  0.8730 -0.0165 -0.0000 -0.0917 -0.0242 -0.0064  0.3258 -0.0406      0.0000 -0.0229  0.0673  0.0253 -0.0016 -0.0760  0.3250 -0.0008  0.0260  0.0491
  o =  0.6219  v =  0.0899  0.1624  0.1181  0.1828 -0.0005  0.5300 -0.0350 -0.0083  0.0505  0.3495      0.0000  0.1739  0.0276 -0.1549  0.0508  0.5951  0.0501 -0.0106 -0.0121 -0.3110
  o =  0.6257  v =  0.6957  0.0851 -0.0112  0.1210  0.0002 -0.0528 -0.2177 -0.2551 -0.0052 -0.0421      0.0000 -0.1621 -0.0029  0.1233  0.4959 -0.0574 -0.0051 -0.1877 -0.2224  0.0387
  o =  0.6267  v = -0.3012  0.2492 -0.0039  0.3381  0.0003  0.0137  0.1023 -0.5679 -0.0014  0.0141      0.0000 -0.3245 -0.0019  0.2399 -0.2239  0.0182 -0.0012 -0.4194  0.1006 -0.0099
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059  0.0001 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0198
  0.0001  0.5508 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000  0.0000  0.0410  0.0005
 -0.0001 -0.0000  0.6078 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5509  0.0003     -0.0000 -0.0410 -0.0000  0.0000 -0.0001
 -0.0000 -0.0001  0.0000  0.0003  0.5558     -0.0198 -0.0005 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0021 -0.0000  0.0002  0.0002     -0.0000  0.0002 -0.0165  0.0003 -0.0437
  0.0000  0.0000 -0.0001 -0.0167 -0.0000      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0165 -0.0017 -0.0437      0.0097  0.0002  0.0000  0.0002  0.0002
 -0.0000 -0.0002 -0.0000  0.0429 -0.0023      0.0001  0.0430 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0021  0.0000 -0.0000 -0.0002     -0.0000 -0.0002 -0.0167 -0.0002 -0.0430
  0.0000 -0.0000 -0.0001  0.0165 -0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
 -0.0000  0.0002 -0.0167 -0.0017  0.0429      0.0097 -0.0003  0.0000 -0.0002  0.0001
  0.0000  0.0002 -0.0000 -0.0437 -0.0023     -0.0001  0.0437  0.0000 -0.0002 -0.0001
 
spin component  4
 
  0.6055 -0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5432 -0.0000 -0.0003  0.0001      0.0000  0.0000  0.0000 -0.0390  0.0006
 -0.0001 -0.0000  0.6075  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5431 -0.0000     -0.0000  0.0390 -0.0000 -0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0000  0.5486      0.0196 -0.0006 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4627  v = -0.0028 -0.1573  0.0002 -0.0040 -0.0102 -0.0017 -0.5682 -0.0001 -0.0110  0.0034      0.0000 -0.0033 -0.0004  0.1438 -0.5354  0.0000  0.0097 -0.0015 -0.5645 -0.1616
  o =  0.4657  v =  0.0022 -0.5455  0.0003 -0.0616 -0.0106 -0.0032  0.1522  0.0000 -0.0124  0.0633      0.0000 -0.0612 -0.0017  0.5487  0.1415 -0.0004  0.0094  0.0003  0.1676 -0.5641
  o =  0.5682  v =  0.0167  0.0395 -0.4047  0.0306 -0.0007 -0.0635  0.3647 -0.0021  0.4862  0.0748      0.0000  0.0332  0.2938 -0.0371 -0.0237 -0.0552  0.4876  0.0018 -0.3420 -0.0851
  o =  0.5740  v =  0.2503  0.5220  0.0289  0.1170 -0.0006 -0.4513  0.0586  0.0914 -0.0292  0.0456      0.0000 -0.0681 -0.0701  0.0184 -0.2800 -0.0425 -0.0269  0.2690  0.2019 -0.4775
  o =  0.5748  v =  0.0654  0.2360 -0.0481 -0.5335  0.0035  0.1208  0.0344 -0.3710  0.0517 -0.3258      0.0000  0.1928  0.0055  0.3668 -0.0737  0.3163  0.0415  0.3087  0.0255  0.1266
  o =  0.5776  v =  0.5848 -0.2546  0.0113  0.0091 -0.0001  0.2159  0.2880  0.0014 -0.0086  0.0143      0.0000  0.0077  0.0211 -0.0539 -0.5715 -0.0163 -0.0083 -0.1735  0.2483  0.2025
  o =  0.6214  v = -0.0373  0.0496  0.5157  0.0122  0.0011  0.1600  0.2848  0.0124  0.2129  0.0420      0.0000  0.0269 -0.6654 -0.0360 -0.0180  0.0744  0.2146 -0.0123 -0.2670 -0.0895
  o =  0.6237  v = -0.3130  0.3212 -0.0428  0.0369 -0.0006  0.6791  0.0132 -0.0703 -0.0213  0.0071      0.0000 -0.0290  0.1664 -0.1110 -0.1926  0.0126 -0.0212 -0.2147  0.1714 -0.4181
  o =  0.6245  v = -0.1479  0.2851  0.0330 -0.1163  0.0008 -0.2562  0.0581  0.1551  0.0172 -0.0737      0.0000  0.0404 -0.0275  0.4526 -0.0987 -0.1130  0.0157 -0.7250  0.0273  0.1643
  o =  0.6264  v =  0.6852  0.2151  0.0099 -0.0077 -0.0001  0.2343 -0.2481  0.0029  0.0068 -0.0101      0.0000 -0.0038  0.0338  0.0491  0.4848 -0.0140  0.0065 -0.2349 -0.2130 -0.1677
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5465 -0.0000 -0.0002  0.0000      0.0000 -0.0000  0.0000  0.0397  0.0007
 -0.0001 -0.0000  0.6077 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5464  0.0001     -0.0000 -0.0397 -0.0000  0.0000  0.0003
 -0.0000  0.0000 -0.0000  0.0001  0.5519     -0.0197 -0.0007 -0.0000 -0.0003 -0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0025 -0.0000 -0.0002  0.0002     -0.0000  0.0005 -0.0166  0.0002 -0.0433
 -0.0000  0.0000 -0.0001 -0.0166 -0.0001      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0166 -0.0020 -0.0433      0.0097  0.0003  0.0000  0.0008  0.0002
  0.0000 -0.0001 -0.0000  0.0433 -0.0026      0.0001  0.0434 -0.0000 -0.0001  0.0010
 
spin component  3
 
 -0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0025  0.0000 -0.0000 -0.0001     -0.0000 -0.0005 -0.0166 -0.0003 -0.0434
  0.0000 -0.0000 -0.0001  0.0166 -0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0166 -0.0020  0.0433      0.0097 -0.0002  0.0000 -0.0008  0.0001
  0.0000  0.0002 -0.0001 -0.0433 -0.0026     -0.0001  0.0433  0.0000 -0.0002 -0.0010
 
spin component  4
 
  0.6058 -0.0001 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0197
 -0.0001  0.5474  0.0000 -0.0003 -0.0000     -0.0000  0.0000  0.0000 -0.0402  0.0006
 -0.0001  0.0000  0.6077  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0003  0.0000  0.5474 -0.0004     -0.0000  0.0402 -0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0004  0.5523      0.0197 -0.0006  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4632  v =  0.0009 -0.4311  0.0007 -0.1117 -0.0307 -0.0008 -0.3790 -0.0005 -0.0348  0.1087      0.0000 -0.1063 -0.0014  0.4195 -0.3751 -0.0001  0.0277 -0.0013 -0.3673 -0.4248
  o =  0.4652  v = -0.0005  0.3684 -0.0005  0.0561 -0.0762 -0.0012 -0.4300 -0.0007 -0.0750 -0.0574      0.0000  0.0627  0.0011 -0.3821 -0.4255 -0.0001  0.0797 -0.0015 -0.4404  0.3607
  o =  0.5708  v = -0.1509 -0.5632  0.0571 -0.2159  0.0005  0.0541 -0.1429 -0.1708 -0.0643 -0.0525      0.0000  0.1660 -0.0542 -0.4971  0.1893  0.0416 -0.0653 -0.4756 -0.0249  0.0667
  o =  0.5717  v = -0.0434  0.0518  0.4255 -0.0335  0.0020  0.1231 -0.3326  0.0258 -0.4609 -0.1327      0.0000 -0.0851 -0.2802  0.1847  0.0502  0.1098 -0.4611  0.1089  0.2751  0.1491
  o =  0.5749  v =  0.4190  0.0763  0.1097  0.0060  0.0008 -0.3636  0.0931 -0.0571 -0.1067  0.1212      0.0000  0.1170 -0.1342 -0.3125 -0.4400 -0.1155 -0.1067 -0.1210  0.3559 -0.3837
  o =  0.5772  v = -0.4343  0.2746  0.0335  0.0889  0.0003 -0.4334 -0.2818  0.0141 -0.0318  0.1541      0.0000  0.0613 -0.0833 -0.1374  0.4223 -0.1575 -0.0314  0.0745 -0.1293 -0.4228
  o =  0.6225  v = -0.2717  0.3621  0.0279  0.1052  0.0008  0.1375  0.1694 -0.2097  0.0099  0.0244      0.0000 -0.0808 -0.2053  0.2862 -0.1593  0.0468  0.0103 -0.7255 -0.0194 -0.0775
  o =  0.6229  v = -0.0866 -0.0516  0.7395  0.1581 -0.0020  0.1045  0.0533 -0.2020  0.3385  0.1459      0.0000 -0.0220 -0.0632 -0.1094 -0.0478  0.2423  0.3412  0.1730 -0.0035 -0.0613
  o =  0.6244  v =  0.5270 -0.0377  0.1774  0.0108  0.0005 -0.4465 -0.0523 -0.1056  0.0890 -0.0832      0.0000 -0.0948 -0.2316  0.2449  0.3330 -0.1324  0.0902 -0.2058 -0.2844  0.2807
  o =  0.6261  v =  0.5020  0.2370 -0.0522  0.0773 -0.0005  0.5166 -0.2372 -0.0267 -0.0273  0.1304      0.0000  0.0501  0.1205 -0.1137  0.3501  0.1882 -0.0278 -0.1148 -0.1050 -0.3586
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0196
 -0.0002  0.5482  0.0000 -0.0001 -0.0000     -0.0000  0.0000 -0.0001  0.0390 -0.0022
 -0.0001  0.0000  0.6053  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5483 -0.0002      0.0000 -0.0390  0.0000 -0.0000 -0.0004
 -0.0000 -0.0000  0.0000 -0.0002  0.5591     -0.0196  0.0022 -0.0000  0.0004 -0.0000
 
spin component  2
 
  0.0003  0.0097 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0002
 -0.0096  0.0058 -0.0000  0.0002  0.0000     -0.0000 -0.0006 -0.0165 -0.0006 -0.0422
  0.0000  0.0000  0.0003 -0.0164  0.0001     -0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0165  0.0045 -0.0419      0.0096 -0.0005  0.0000 -0.0007  0.0000
 -0.0000  0.0001  0.0001  0.0428  0.0071     -0.0002  0.0427  0.0000  0.0001 -0.0010
 
spin component  3
 
  0.0003 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0002
  0.0097  0.0058  0.0000  0.0000  0.0001     -0.0000  0.0006 -0.0164  0.0005 -0.0427
 -0.0000 -0.0000  0.0003  0.0165  0.0001      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0164  0.0045  0.0428      0.0097  0.0006  0.0000  0.0007 -0.0001
 -0.0000  0.0000  0.0001 -0.0419  0.0071      0.0002  0.0422 -0.0000 -0.0000  0.0010
 
spin component  4
 
  0.6020  0.0002 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0196
  0.0002  0.5517 -0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0001 -0.0403 -0.0024
 -0.0001 -0.0000  0.6054 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5515  0.0003      0.0000  0.0403  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000  0.0003  0.5636      0.0196  0.0024  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4687  v =  0.0007  0.4772 -0.0002 -0.0644 -0.0982 -0.0034 -0.3469  0.0013 -0.0985  0.0656      0.0000 -0.0757 -0.0035 -0.4558 -0.3316  0.0006  0.0989  0.0024 -0.3150  0.4378
  o =  0.4721  v = -0.0041 -0.3418 -0.0005 -0.0386 -0.0116  0.0063 -0.4611  0.0007 -0.0099  0.0357      0.0000 -0.0437  0.0028  0.3751 -0.4390  0.0008  0.0146  0.0038 -0.4852 -0.3106
  o =  0.5700  v = -0.2657  0.5704  0.0169  0.0734  0.0002 -0.1422 -0.2343  0.0597 -0.0212  0.0177      0.0000 -0.0580 -0.0993  0.4161  0.3112 -0.0131 -0.0200  0.4548 -0.0291 -0.1657
  o =  0.5731  v =  0.0996  0.1042 -0.1687 -0.0336 -0.0030  0.2719  0.4827  0.0009  0.1645 -0.0794      0.0000 -0.0298  0.4299  0.3380 -0.0935  0.0752  0.1669  0.2210 -0.3647  0.2920
  o =  0.5761  v = -0.4578 -0.0774 -0.0893 -0.0116 -0.0019 -0.2495  0.0716 -0.0316  0.0784  0.0309      0.0000  0.0451  0.3140 -0.3141  0.4050 -0.0361  0.0772 -0.2241 -0.4808 -0.2211
  o =  0.5811  v =  0.4309  0.2537 -0.0401  0.0426 -0.0011 -0.5807  0.2666  0.0174  0.0305  0.0640      0.0000  0.0145  0.1779 -0.1220 -0.3045 -0.0875  0.0293  0.0872  0.0093 -0.4210
  o =  0.6200  v =  0.4035  0.3600 -0.0293  0.0363 -0.0009  0.2633 -0.2247 -0.0671 -0.0112  0.0152      0.0000 -0.0217  0.2177  0.2061  0.2602  0.0267 -0.0113 -0.6284 -0.0151 -0.1637
  o =  0.6219  v =  0.0902 -0.1114 -0.3775  0.1140  0.0022  0.2777 -0.2685 -0.1362 -0.1877  0.1167      0.0000 -0.0139  0.4683 -0.2850  0.0546  0.1591 -0.1936  0.4009  0.2000 -0.2003
  o =  0.6239  v =  0.4646 -0.0697  0.1235 -0.0216  0.0008  0.2643  0.0657  0.0588  0.0688  0.0178      0.0000  0.0417 -0.4238 -0.2711  0.3486  0.0245  0.0706  0.2986 -0.4159 -0.1921
  o =  0.6299  v = -0.3707  0.2916  0.0372  0.0429  0.0006  0.4936  0.2961 -0.0159  0.0262  0.0692      0.0000  0.0203 -0.1744 -0.1510 -0.3647  0.0711  0.0269 -0.1008  0.0432 -0.4827
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6016 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0195
 -0.0000  0.5470  0.0000 -0.0001  0.0001      0.0000  0.0000 -0.0000  0.0385 -0.0005
 -0.0001  0.0000  0.6051  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5470 -0.0002     -0.0000 -0.0385  0.0000  0.0000 -0.0002
 -0.0000  0.0001 -0.0000 -0.0002  0.5579     -0.0195  0.0005 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0096  0.0012 -0.0000 -0.0001 -0.0000     -0.0000 -0.0006 -0.0165 -0.0001 -0.0419
 -0.0000  0.0000  0.0000 -0.0163  0.0000      0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0009 -0.0419      0.0096 -0.0002  0.0000 -0.0007 -0.0000
 -0.0000  0.0000  0.0000  0.0428  0.0015     -0.0000  0.0429  0.0000  0.0000 -0.0008
 
spin component  3
 
  0.0000 -0.0096 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0096  0.0000
  0.0096  0.0012  0.0000  0.0001  0.0000     -0.0000  0.0006 -0.0163  0.0002 -0.0429
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0163  0.0009  0.0428      0.0097  0.0001  0.0000  0.0007 -0.0000
 -0.0000 -0.0000  0.0000 -0.0419  0.0015      0.0000  0.0419 -0.0000  0.0000  0.0008
 
spin component  4
 
  0.6020  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000 -0.0196
  0.0000  0.5528 -0.0000 -0.0001 -0.0001     -0.0000  0.0000 -0.0000 -0.0406 -0.0004
 -0.0001 -0.0000  0.6054 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5528  0.0001     -0.0000  0.0406  0.0000 -0.0000 -0.0003
 -0.0000 -0.0001 -0.0000  0.0001  0.5646      0.0196  0.0004  0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4697  v = -0.0004 -0.2127 -0.0011 -0.5374 -0.0971  0.0025  0.1032  0.0001 -0.0929  0.4852      0.0000 -0.5375 -0.0003  0.2091  0.1055  0.0064  0.1027 -0.0004  0.1058 -0.1904
  o =  0.4717  v =  0.0019  0.1290  0.0002  0.0665 -0.0149 -0.0024  0.5646 -0.0004 -0.0156 -0.0590      0.0000  0.0702 -0.0001 -0.1370  0.5465 -0.0012  0.0148 -0.0009  0.5659  0.1154
  o =  0.5703  v = -0.0688  0.5294 -0.0029  0.2573 -0.0003 -0.0008 -0.0335  0.2378  0.0018  0.0030      0.0000 -0.2555 -0.0010  0.5274  0.0791 -0.0003  0.0019  0.4903 -0.0324 -0.0025
  o =  0.5751  v =  0.0557 -0.0374 -0.5334 -0.0180 -0.0019  0.1052  0.2793  0.0019  0.4865 -0.0459      0.0000 -0.0183  0.2782  0.0463 -0.0543  0.0463  0.4852  0.0050 -0.2269  0.1043
  o =  0.5761  v = -0.6544  0.0025 -0.0723  0.0026 -0.0001 -0.1356 -0.2507 -0.0311  0.0610  0.0622      0.0000  0.0570  0.0345 -0.1133  0.5788 -0.0683  0.0609 -0.0624 -0.3110 -0.1243
  o =  0.5790  v = -0.1762 -0.2352  0.0902 -0.1177 -0.0002  0.6171 -0.0962 -0.0044 -0.0714 -0.2531      0.0000 -0.1064 -0.0406  0.2106  0.1388  0.3106 -0.0718 -0.0135 -0.0318  0.5030
  o =  0.6206  v = -0.1041 -0.3441 -0.0093 -0.1749  0.0001 -0.0084  0.0332  0.3768 -0.0060 -0.0009      0.0000  0.1744 -0.0017 -0.3401 -0.0701 -0.0049 -0.0059  0.7382  0.0304  0.0044
  o =  0.6232  v = -0.1340 -0.0359  0.6758 -0.0179  0.0012 -0.1324  0.2410  0.0006  0.3696 -0.0441      0.0000 -0.0203 -0.3522  0.0524 -0.0982 -0.0576  0.3712 -0.0142 -0.1454  0.1012
  o =  0.6238  v =  0.6892 -0.0005  0.1519 -0.0003  0.0002  0.1402 -0.2138  0.0481  0.0874  0.0548      0.0000  0.0535 -0.0793 -0.1019  0.5291  0.0731  0.0876  0.0910 -0.3027 -0.1063
  o =  0.6269  v =  0.1708 -0.2456 -0.0995 -0.1232  0.0002 -0.5923 -0.0984  0.0078 -0.0642 -0.2613      0.0000 -0.1157  0.0419  0.2272  0.1502 -0.2994 -0.0643  0.0146 -0.0435  0.5170
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060  0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0198
  0.0001  0.5511 -0.0000  0.0000 -0.0001      0.0000 -0.0000  0.0000  0.0416  0.0006
 -0.0000 -0.0000  0.6078 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0000  0.5510  0.0001     -0.0000 -0.0416  0.0000  0.0000 -0.0001
  0.0000 -0.0001  0.0000  0.0001  0.5561     -0.0198 -0.0006 -0.0000  0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0021 -0.0000  0.0001 -0.0001     -0.0000  0.0002 -0.0165  0.0002 -0.0442
  0.0000  0.0000 -0.0001 -0.0168 -0.0000      0.0000  0.0168  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0165 -0.0017 -0.0444      0.0097  0.0002  0.0000  0.0002 -0.0001
 -0.0000 -0.0000 -0.0000  0.0433 -0.0023      0.0001  0.0435 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0021  0.0000 -0.0001 -0.0000     -0.0000 -0.0002 -0.0168 -0.0002 -0.0435
 -0.0000 -0.0000 -0.0001  0.0165 -0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0168 -0.0017  0.0433      0.0097 -0.0002  0.0000 -0.0002  0.0000
  0.0000 -0.0001 -0.0000 -0.0444 -0.0023     -0.0001  0.0442  0.0000  0.0001 -0.0001
 
spin component  4
 
  0.6056 -0.0000 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0197
 -0.0000  0.5434 -0.0000  0.0001  0.0001      0.0000  0.0000  0.0000 -0.0395  0.0005
 -0.0000 -0.0000  0.6075  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0001  0.0000  0.5434 -0.0003     -0.0000  0.0395  0.0000 -0.0000  0.0001
  0.0000  0.0001 -0.0000 -0.0003  0.5486      0.0197 -0.0005 -0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4619  v = -0.0029 -0.1603  0.0000 -0.0036 -0.0151 -0.0021 -0.5670 -0.0002 -0.0154  0.0031      0.0000 -0.0026 -0.0004  0.1456 -0.5343 -0.0000  0.0155 -0.0016 -0.5636 -0.1667
  o =  0.4648  v =  0.0018 -0.5423  0.0004 -0.0778 -0.0148 -0.0031  0.1554  0.0001 -0.0170  0.0803      0.0000 -0.0781 -0.0016  0.5462  0.1459 -0.0004  0.0132  0.0004  0.1690 -0.5606
  o =  0.5687  v =  0.0168  0.0538  0.1364 -0.0244 -0.0001 -0.0864  0.5863  0.0007 -0.1607 -0.0538      0.0000 -0.0250  0.4853 -0.0481 -0.0216  0.0411 -0.1625  0.0039 -0.5639 -0.1126
  o =  0.5745  v = -0.2415 -0.4754 -0.0179 -0.0544  0.0002  0.5061 -0.0337 -0.0379  0.0180 -0.0314      0.0000  0.0203  0.0915  0.0797  0.2654  0.0302  0.0169 -0.1999 -0.2179  0.5274
  o =  0.5751  v =  0.0810  0.3735 -0.0217 -0.1118  0.0009  0.2480  0.0668 -0.0691  0.0232 -0.0866      0.0000  0.0219  0.0344  0.6378 -0.0931  0.0846  0.0200  0.5226  0.0017  0.2538
  o =  0.5781  v = -0.5935  0.2506  0.0101  0.0055  0.0003 -0.2080 -0.2839  0.0071 -0.0092 -0.0002      0.0000 -0.0071 -0.0175  0.0584  0.5706  0.0005 -0.0092  0.1769 -0.2515 -0.1919
  o =  0.6217  v =  0.0348 -0.0564  0.0394  0.0129 -0.0003 -0.1773 -0.3611  0.0004  0.0163  0.0261      0.0000  0.0127  0.8361  0.0393  0.0180  0.0460  0.0167  0.0153  0.3428  0.0996
  o =  0.6241  v =  0.2871 -0.3016  0.0389 -0.0216  0.0001 -0.7015 -0.0005  0.0270  0.0191 -0.0156      0.0000  0.0051 -0.1769  0.1502  0.1782 -0.0249  0.0186  0.1524 -0.1725  0.4377
  o =  0.6248  v =  0.1777 -0.3164 -0.0195  0.0271  0.0000  0.2152 -0.0662 -0.0287 -0.0103  0.0242      0.0000 -0.0026  0.0239 -0.4589  0.1198  0.0373 -0.0095  0.7530 -0.0381 -0.1398
  o =  0.6269  v =  0.6836  0.2166 -0.0116  0.0010  0.0002  0.2187 -0.2477 -0.0029 -0.0066 -0.0009      0.0000 -0.0029  0.0266  0.0578  0.4911 -0.0015 -0.0066 -0.2395 -0.2196 -0.1593
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058  0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0197
  0.0001  0.5468 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0000  0.0406  0.0006
 -0.0000 -0.0000  0.6078 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5469  0.0003     -0.0000 -0.0406 -0.0000 -0.0000  0.0003
 -0.0000  0.0001 -0.0000  0.0003  0.5521     -0.0197 -0.0006  0.0000 -0.0003  0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0026 -0.0000 -0.0002  0.0000     -0.0000  0.0005 -0.0167  0.0003 -0.0441
 -0.0000  0.0000 -0.0001 -0.0166 -0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0167 -0.0020 -0.0440      0.0097  0.0002  0.0000  0.0007 -0.0000
  0.0000  0.0000 -0.0000  0.0443 -0.0028      0.0001  0.0442 -0.0000  0.0000  0.0009
 
spin component  3
 
 -0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0026  0.0000 -0.0001  0.0000     -0.0000 -0.0005 -0.0166 -0.0002 -0.0442
 -0.0000 -0.0000 -0.0001  0.0167 -0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0166 -0.0020  0.0443      0.0097 -0.0003  0.0000 -0.0007 -0.0000
  0.0000  0.0000 -0.0000 -0.0440 -0.0028     -0.0001  0.0441  0.0000  0.0000 -0.0009
 
spin component  4
 
  0.6059 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0198
 -0.0001  0.5478  0.0000  0.0001 -0.0000     -0.0000  0.0000  0.0000 -0.0411  0.0007
 -0.0000  0.0000  0.6078  0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0000  0.5477 -0.0001     -0.0000  0.0411 -0.0000  0.0000  0.0001
 -0.0000 -0.0000  0.0000 -0.0001  0.5527      0.0198 -0.0007  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4619  v =  0.0011 -0.4345  0.0005 -0.0765 -0.0469 -0.0006 -0.3820 -0.0005 -0.0503  0.0744      0.0000 -0.0715 -0.0014  0.4241 -0.3790 -0.0002  0.0450 -0.0011 -0.3687 -0.4273
  o =  0.4639  v = -0.0007  0.3758 -0.0006  0.0341 -0.0849 -0.0009 -0.4242 -0.0007 -0.0839 -0.0359      0.0000  0.0411  0.0013 -0.3880 -0.4189 -0.0001  0.0889 -0.0013 -0.4361  0.3693
  o =  0.5716  v = -0.1629 -0.5798  0.0211 -0.1466 -0.0009  0.0723 -0.1811 -0.1278 -0.0242 -0.0135      0.0000  0.1327 -0.0865 -0.4947  0.1973  0.0110 -0.0234 -0.4934  0.0036  0.0858
  o =  0.5726  v = -0.0192  0.0511  0.4885 -0.1440  0.0012  0.0878 -0.2078 -0.0674 -0.5139 -0.1604      0.0000  0.0029 -0.1837  0.1426  0.0212  0.1349 -0.5173  0.0917  0.1810  0.1042
  o =  0.5753  v =  0.4291  0.0491  0.0834  0.0359 -0.0000 -0.3585  0.1028 -0.0360 -0.0808  0.1409      0.0000  0.1055 -0.1278 -0.3297 -0.4441 -0.1360 -0.0805 -0.1447  0.3481 -0.3715
  o =  0.5779  v = -0.4326  0.2729  0.0540  0.1012 -0.0001 -0.4432 -0.2787  0.0274 -0.0478  0.1567      0.0000  0.0524 -0.0882 -0.1359  0.4093 -0.1652 -0.0478  0.0768 -0.1217 -0.4205
  o =  0.6230  v = -0.2756  0.3721  0.0057  0.0908  0.0008  0.1577  0.1829 -0.1873  0.0012  0.0099      0.0000 -0.0799 -0.2250  0.2817 -0.1644  0.0183  0.0009 -0.7147 -0.0275 -0.0921
  o =  0.6235  v =  0.0542  0.0287 -0.7293 -0.1965  0.0024 -0.0295  0.0341  0.2706 -0.3430 -0.1540      0.0000  0.0539 -0.1058  0.0456  0.0322 -0.2490 -0.3452 -0.0768 -0.0669  0.0176
  o =  0.6249  v =  0.5409 -0.0175  0.1430 -0.0072  0.0001 -0.4240 -0.0620 -0.0820  0.0723 -0.0959      0.0000 -0.0889 -0.2214  0.2561  0.3477 -0.1504  0.0726 -0.2336 -0.2882  0.2700
  o =  0.6268  v =  0.4799  0.2391 -0.0747  0.0862 -0.0003  0.5210 -0.2416 -0.0349 -0.0417  0.1352      0.0000  0.0465  0.1303 -0.1235  0.3441  0.1900 -0.0421 -0.1038 -0.0956 -0.3713
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6017 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0195
 -0.0001  0.5484  0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0001  0.0390 -0.0019
 -0.0001  0.0000  0.6048  0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5483 -0.0003      0.0000 -0.0390  0.0000  0.0000 -0.0003
 -0.0000 -0.0000 -0.0000 -0.0003  0.5587     -0.0195  0.0019 -0.0000  0.0003 -0.0000
 
spin component  2
 
  0.0002  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0002
 -0.0096  0.0051 -0.0000  0.0002  0.0002     -0.0000 -0.0005 -0.0165 -0.0005 -0.0420
  0.0000  0.0000  0.0003 -0.0163  0.0001     -0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0165  0.0040 -0.0420      0.0096 -0.0005  0.0000 -0.0007  0.0002
 -0.0000 -0.0003  0.0001  0.0425  0.0062     -0.0002  0.0427  0.0000 -0.0003 -0.0009
 
spin component  3
 
  0.0002 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0002
  0.0096  0.0051  0.0000  0.0000 -0.0003     -0.0000  0.0005 -0.0163  0.0005 -0.0427
  0.0000 -0.0000  0.0003  0.0165  0.0001      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0163  0.0040  0.0425      0.0096  0.0005  0.0000  0.0007  0.0003
 -0.0000  0.0002  0.0001 -0.0420  0.0062      0.0002  0.0420 -0.0000 -0.0002  0.0009
 
spin component  4
 
  0.6019  0.0002 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0196
  0.0002  0.5522 -0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0001 -0.0404 -0.0019
 -0.0001 -0.0000  0.6050 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5523  0.0002      0.0000  0.0404  0.0000 -0.0000 -0.0002
 -0.0000  0.0000 -0.0000  0.0002  0.5633      0.0196  0.0019  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v =  0.0007  0.4921  0.0003 -0.0016 -0.0533 -0.0034 -0.3410  0.0008 -0.0552  0.0047      0.0000 -0.0081 -0.0033 -0.4726 -0.3283  0.0001  0.0524  0.0022 -0.3119  0.4520
  o =  0.4725  v = -0.0034 -0.3292 -0.0005 -0.0307 -0.0250  0.0060 -0.4710  0.0008 -0.0238  0.0296      0.0000 -0.0369  0.0024  0.3594 -0.4520  0.0006  0.0283  0.0035 -0.4917 -0.2989
  o =  0.5703  v = -0.2462  0.5673  0.0247  0.1173  0.0011 -0.1068 -0.1916  0.0928 -0.0279  0.0402      0.0000 -0.0815 -0.0708  0.4508  0.2845 -0.0332 -0.0292  0.4783 -0.0492 -0.1229
  o =  0.5735  v =  0.1495  0.0564 -0.1360  0.0299 -0.0009  0.2887  0.5115  0.0533  0.1308 -0.0467      0.0000 -0.0670  0.4497  0.3056 -0.1424  0.0449  0.1285  0.1850 -0.3503  0.3035
  o =  0.5761  v = -0.4632 -0.0518 -0.0913 -0.0322 -0.0019 -0.2472  0.0830 -0.0444  0.0788  0.0105      0.0000  0.0463  0.3337 -0.2837  0.4083 -0.0136  0.0785 -0.1953 -0.4941 -0.2186
  o =  0.5805  v =  0.4200  0.2621 -0.0283  0.0251 -0.0010 -0.5837  0.2598 -0.0007  0.0216  0.0540      0.0000  0.0230  0.1643 -0.1283 -0.3060 -0.0720  0.0216  0.0887  0.0200 -0.4363
  o =  0.6200  v = -0.3694 -0.3732  0.0362 -0.0626  0.0003 -0.2052  0.1959  0.1105  0.0141 -0.0268      0.0000  0.0372 -0.1709 -0.2515 -0.2399 -0.0457  0.0147  0.6743  0.0244  0.1288
  o =  0.6219  v = -0.1503  0.0792  0.2382 -0.0113  0.0011 -0.3306  0.3420 -0.0199  0.1233 -0.0584      0.0000 -0.0389 -0.5558  0.2886 -0.0976 -0.0785  0.1255 -0.3649 -0.2321  0.2382
  o =  0.6238  v = -0.4790  0.0465 -0.1175  0.0327 -0.0006 -0.2625 -0.0694 -0.0666 -0.0670 -0.0063      0.0000 -0.0414  0.4331  0.2455 -0.3615 -0.0091 -0.0689 -0.2512  0.4313  0.1913
  o =  0.6289  v = -0.3710  0.2911  0.0299  0.0277  0.0003  0.5119  0.2835 -0.0014  0.0199  0.0608      0.0000  0.0279 -0.1663 -0.1549 -0.3537  0.0648  0.0208 -0.0979  0.0478 -0.4852
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6017 -0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0195
 -0.0001  0.5481 -0.0000 -0.0003  0.0001      0.0000 -0.0000 -0.0000  0.0390 -0.0005
 -0.0001 -0.0000  0.6048  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5484 -0.0001      0.0000 -0.0390 -0.0000  0.0000 -0.0001
 -0.0000  0.0001  0.0000 -0.0001  0.5583     -0.0195  0.0005 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0001  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0096  0.0015  0.0000 -0.0001  0.0002     -0.0000 -0.0004 -0.0165 -0.0002 -0.0420
  0.0000  0.0000  0.0001 -0.0163  0.0000     -0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0012 -0.0417      0.0096 -0.0001  0.0000 -0.0004  0.0002
 -0.0000 -0.0003  0.0000  0.0428  0.0018     -0.0000  0.0426  0.0000 -0.0003 -0.0004
 
spin component  3
 
  0.0001 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0000
  0.0096  0.0015  0.0000  0.0001 -0.0003     -0.0000  0.0004 -0.0163  0.0001 -0.0426
  0.0000  0.0000  0.0001  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0163  0.0012  0.0428      0.0096  0.0002  0.0000  0.0004  0.0003
 -0.0000  0.0002  0.0000 -0.0417  0.0018      0.0000  0.0420 -0.0000 -0.0002  0.0004
 
spin component  4
 
  0.6019  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0196
  0.0000  0.5524 -0.0000 -0.0002 -0.0001     -0.0000  0.0000 -0.0000 -0.0403 -0.0007
 -0.0001 -0.0000  0.6051 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5522  0.0002      0.0000  0.0403 -0.0000 -0.0000 -0.0002
 -0.0000 -0.0001  0.0000  0.0002  0.5637      0.0196  0.0007  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4701  v = -0.0003 -0.3907 -0.0012 -0.4012 -0.0971  0.0040  0.1699  0.0001 -0.0935  0.3675      0.0000 -0.4025  0.0004  0.3871  0.1668  0.0041  0.1028 -0.0004  0.1655 -0.3558
  o =  0.4718  v =  0.0022  0.1868  0.0003  0.0598 -0.0177 -0.0028  0.5491 -0.0002 -0.0193 -0.0539      0.0000  0.0614 -0.0004 -0.1970  0.5290 -0.0008  0.0173 -0.0012  0.5521  0.1699
  o =  0.5713  v =  0.0828 -0.5688 -0.0044 -0.1618 -0.0003  0.0222  0.0376 -0.1479  0.0050 -0.0192      0.0000  0.1443 -0.0001 -0.5454 -0.0933  0.0151  0.0057 -0.5383  0.0403  0.0249
  o =  0.5745  v = -0.0729  0.0093  0.5909  0.0419  0.0005 -0.0636 -0.0675 -0.0053 -0.5452  0.1119      0.0000  0.0487 -0.0351 -0.0444  0.0714 -0.1110 -0.5458 -0.0197 -0.0023 -0.0635
  o =  0.5762  v = -0.6389  0.0093 -0.0908 -0.0180 -0.0002 -0.1920 -0.2419 -0.0273  0.0766  0.0082      0.0000  0.0291  0.0357 -0.1546  0.5651 -0.0102  0.0769 -0.0828 -0.3045 -0.1739
  o =  0.5788  v = -0.2200 -0.2496  0.0461 -0.0237  0.0002  0.6683 -0.1624  0.0135 -0.0369 -0.0721      0.0000 -0.0405 -0.1036  0.2400  0.1746  0.0882 -0.0375 -0.0054  0.0007  0.5452
  o =  0.6208  v =  0.1288  0.3906 -0.0063  0.1032  0.0001  0.0355 -0.0467 -0.2029 -0.0018  0.0116      0.0000 -0.0922  0.0098  0.3692  0.0889  0.0218 -0.0022 -0.7877 -0.0341 -0.0226
  o =  0.6227  v = -0.0935 -0.0096  0.7659 -0.0398  0.0006 -0.0827  0.0868  0.0062  0.4139 -0.0885      0.0000 -0.0368 -0.1009  0.0451 -0.0654 -0.1182  0.4151 -0.0325 -0.0226  0.0613
  o =  0.6239  v = -0.6788 -0.0045 -0.1164  0.0161 -0.0001 -0.2100  0.2238 -0.0386 -0.0687 -0.0113      0.0000 -0.0288  0.0527  0.1478 -0.5219 -0.0155 -0.0691 -0.1257  0.2843  0.1595
  o =  0.6266  v = -0.2126  0.2634  0.0517  0.0308  0.0002  0.6442  0.1574  0.0098  0.0329  0.0850      0.0000  0.0474 -0.1059 -0.2517 -0.1854  0.0980  0.0336 -0.0101  0.0178 -0.5579
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0197
 -0.0000  0.5462 -0.0000 -0.0002 -0.0001      0.0000  0.0000 -0.0000  0.0423 -0.0004
 -0.0001 -0.0000  0.6077  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5464 -0.0000      0.0000 -0.0423 -0.0000 -0.0000  0.0004
 -0.0000 -0.0001  0.0000 -0.0000  0.5522     -0.0197  0.0004 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0000  0.0098 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0010 -0.0000 -0.0000  0.0001     -0.0000  0.0008 -0.0168 -0.0000 -0.0442
 -0.0000  0.0000  0.0001 -0.0166 -0.0000     -0.0000  0.0166  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0168  0.0008 -0.0445      0.0098 -0.0000  0.0000  0.0009  0.0001
  0.0000 -0.0001 -0.0000  0.0450  0.0010     -0.0000  0.0447 -0.0000 -0.0001  0.0010
 
spin component  3
 
  0.0000 -0.0098 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0010  0.0000 -0.0000 -0.0001     -0.0000 -0.0008 -0.0166  0.0000 -0.0447
 -0.0000 -0.0000  0.0001  0.0168 -0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0166  0.0008  0.0450      0.0098  0.0000  0.0000 -0.0009  0.0001
  0.0000  0.0001 -0.0000 -0.0445  0.0010      0.0000  0.0442  0.0000 -0.0001 -0.0010
 
spin component  4
 
  0.6059  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0199
  0.0000  0.5533  0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0000 -0.0447 -0.0004
 -0.0001  0.0000  0.6081 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5534  0.0000      0.0000  0.0447 -0.0000 -0.0000  0.0004
  0.0000  0.0001  0.0000  0.0000  0.5597      0.0199  0.0004  0.0000 -0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4625  v =  0.0006  0.3101 -0.0007 -0.4969 -0.0175 -0.0027 -0.0809 -0.0001 -0.0128  0.4585      0.0000 -0.4965  0.0003 -0.3102 -0.0865  0.0044  0.0209  0.0000 -0.0830  0.2863
  o =  0.4640  v = -0.0009  0.0554 -0.0002 -0.0637  0.0216 -0.0008  0.5692  0.0006  0.0227  0.0581      0.0000 -0.0697 -0.0001 -0.0619  0.5728  0.0010 -0.0205 -0.0006  0.5698  0.0515
  o =  0.5728  v = -0.0984  0.4207  0.0058 -0.4002  0.0002 -0.0105 -0.0582 -0.3816 -0.0053  0.0110      0.0000  0.4089 -0.0058  0.4100  0.1130 -0.0082 -0.0054  0.3918 -0.0461 -0.0100
  o =  0.5766  v = -0.6082 -0.0109 -0.0188  0.0078 -0.0001 -0.1197 -0.3326  0.0648  0.0150 -0.1128      0.0000 -0.1146 -0.0346 -0.1257  0.5935  0.1100  0.0150 -0.0718 -0.2690 -0.1233
  o =  0.5783  v =  0.0951  0.1157 -0.5295 -0.0569  0.0009 -0.2647 -0.1171 -0.0200  0.4636 -0.0901      0.0000 -0.0215 -0.1841 -0.1116 -0.0898  0.0924  0.4639  0.0024  0.2048 -0.2571
  o =  0.5796  v = -0.1518 -0.1674 -0.2867  0.2023 -0.0002  0.3871 -0.0297  0.0226  0.2377  0.4019      0.0000  0.1667  0.0410  0.1555  0.1301 -0.4424  0.2381 -0.0096 -0.0977  0.3520
  o =  0.6238  v = -0.1740 -0.2703  0.0206  0.2753 -0.0000 -0.0153  0.0567 -0.5851  0.0115 -0.0014      0.0000 -0.2756 -0.0084 -0.2593 -0.1098 -0.0041  0.0114  0.5626  0.0490  0.0107
  o =  0.6256  v = -0.7240  0.0193 -0.0247 -0.0195  0.0002 -0.1406  0.2618  0.1213 -0.0157  0.0908      0.0000  0.1066 -0.0278  0.1087 -0.4916  0.1365 -0.0154 -0.1226  0.2338  0.0939
  o =  0.6269  v = -0.0952  0.0925  0.6949 -0.0631 -0.0006  0.2567 -0.0520  0.0360  0.3973 -0.0973      0.0000 -0.0248  0.1495 -0.0790 -0.0680 -0.1322  0.3965 -0.0136  0.1187 -0.1882
  o =  0.6282  v = -0.1577  0.1651 -0.3031 -0.1870  0.0001  0.4435  0.0404  0.0212 -0.1846 -0.3683      0.0000 -0.1582  0.0334 -0.1540 -0.1237 -0.4801 -0.1848 -0.0064  0.0811 -0.3407
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6046  0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0197
  0.0001  0.5417 -0.0000 -0.0002 -0.0000      0.0000 -0.0000  0.0000  0.0400  0.0013
 -0.0001 -0.0000  0.6070 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5424  0.0004     -0.0000 -0.0400  0.0000  0.0000 -0.0001
  0.0000 -0.0000  0.0000  0.0004  0.5504     -0.0197 -0.0013 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0098  0.0001
 -0.0098 -0.0027 -0.0000 -0.0001  0.0002     -0.0000 -0.0000 -0.0170  0.0004 -0.0437
  0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0025 -0.0433      0.0098  0.0003  0.0000 -0.0001  0.0002
 -0.0000 -0.0001 -0.0000  0.0448 -0.0030      0.0001  0.0451  0.0000 -0.0000 -0.0000
 
spin component  3
 
 -0.0001 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0098 -0.0001
  0.0098 -0.0027  0.0000 -0.0001 -0.0001     -0.0000  0.0000 -0.0165 -0.0003 -0.0451
  0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0170  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0165 -0.0025  0.0448      0.0098 -0.0004  0.0000  0.0001  0.0000
 -0.0000  0.0002 -0.0000 -0.0433 -0.0030     -0.0001  0.0437 -0.0000 -0.0002  0.0000
 
spin component  4
 
  0.6055 -0.0001 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0199
 -0.0001  0.5567 -0.0000 -0.0003  0.0000      0.0000  0.0000  0.0000 -0.0465  0.0014
 -0.0001 -0.0000  0.6077  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003  0.0000  0.5571 -0.0004     -0.0000  0.0465  0.0000 -0.0000 -0.0001
  0.0000  0.0000  0.0000 -0.0004  0.5649      0.0199 -0.0014  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4624  v = -0.0014  0.5950  0.0001 -0.0004  0.0122 -0.0084  0.1062  0.0002  0.0116  0.0012      0.0000 -0.0018  0.0017 -0.5875  0.1081 -0.0001 -0.0118  0.0007  0.0896  0.5190
  o =  0.4658  v =  0.0028  0.1002  0.0000  0.0136  0.0061 -0.0027 -0.5634  0.0001  0.0056 -0.0116      0.0000  0.0130 -0.0001 -0.1162 -0.5779 -0.0002 -0.0065 -0.0017 -0.5630  0.0862
  o =  0.5679  v = -0.1187 -0.6021  0.0038  0.0166  0.0002  0.0136 -0.0668  0.0141 -0.0053 -0.0027      0.0000 -0.0175  0.0008 -0.5872  0.1546 -0.0005 -0.0049 -0.4934 -0.0738  0.0203
  o =  0.5753  v =  0.5927 -0.0442 -0.0108  0.0022 -0.0002 -0.1626  0.3363  0.0026  0.0130 -0.0023      0.0000 -0.0042  0.0326 -0.2041 -0.5844  0.0013  0.0128 -0.1272  0.2747 -0.1758
  o =  0.5799  v =  0.1593 -0.1960  0.0040 -0.0120  0.0022  0.4711 -0.2998  0.0059 -0.0031 -0.0353      0.0000 -0.0180 -0.4550  0.1607 -0.1305  0.0389 -0.0022 -0.0244  0.4305  0.4305
  o =  0.5822  v =  0.1112 -0.1785  0.1067  0.0250 -0.0030  0.4822  0.3970  0.0011 -0.0771  0.0601      0.0000  0.0285  0.4918  0.1662 -0.0827 -0.0746 -0.0778 -0.0061 -0.3205  0.3906
  o =  0.6213  v = -0.2322  0.3490  0.0083 -0.0213 -0.0003  0.0343  0.0687  0.0483  0.0037 -0.0019      0.0000  0.0191 -0.0010  0.3326 -0.1342  0.0014  0.0031 -0.8261  0.0606 -0.0189
  o =  0.6243  v = -0.7132 -0.0535  0.0175  0.0049  0.0001  0.2062  0.2605 -0.0140  0.0064 -0.0028      0.0000 -0.0071 -0.0372 -0.1777 -0.4716 -0.0055  0.0066  0.2319  0.2251 -0.1325
  o =  0.6282  v =  0.1456  0.1750 -0.0079  0.0070  0.0017  0.4592  0.2913  0.0045 -0.0058  0.0243      0.0000  0.0146 -0.5593 -0.1448  0.1171  0.0306 -0.0031 -0.0216 -0.4084 -0.3684
  o =  0.6306  v =  0.1144  0.2077  0.0863 -0.0238 -0.0010  0.5026 -0.3725 -0.0028  0.0614 -0.0517      0.0000 -0.0237  0.4652 -0.1897  0.1035 -0.0594  0.0589 -0.0169  0.2735 -0.4384
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6063 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0000  0.5532  0.0000 -0.0003 -0.0000     -0.0000  0.0000 -0.0000  0.0456 -0.0001
 -0.0001  0.0000  0.6085 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5532 -0.0000      0.0000 -0.0456 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0000  0.0000 -0.0000  0.5610     -0.0199  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0003 -0.0000  0.0000  0.0001     -0.0000 -0.0002 -0.0167  0.0000 -0.0458
 -0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169  0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0167  0.0003 -0.0459      0.0098  0.0000  0.0000 -0.0002  0.0001
 -0.0000 -0.0001  0.0000  0.0455  0.0003     -0.0000  0.0455  0.0000 -0.0001 -0.0003
 
spin component  3
 
  0.0000 -0.0098 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0003  0.0000  0.0001 -0.0001     -0.0000  0.0002 -0.0169 -0.0000 -0.0455
 -0.0000 -0.0000  0.0000  0.0167  0.0000      0.0000  0.0167 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0169  0.0003  0.0455      0.0098 -0.0000  0.0000  0.0002  0.0001
 -0.0000  0.0001  0.0000 -0.0459  0.0003      0.0000  0.0458 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6059 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0198
 -0.0000  0.5470 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0000 -0.0437 -0.0001
 -0.0001 -0.0000  0.6082 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5471  0.0000      0.0000  0.0437 -0.0000  0.0000 -0.0001
  0.0000 -0.0000  0.0000  0.0000  0.5549      0.0198  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4612  v =  0.0055 -0.0136 -0.0002 -0.0324 -0.0044 -0.0000  0.5922 -0.0001 -0.0039  0.0321      0.0000 -0.0311  0.0000  0.0115  0.5432 -0.0001  0.0055 -0.0002  0.5921 -0.0131
  o =  0.4627  v = -0.0004 -0.3160 -0.0002 -0.4856 -0.0063  0.0002 -0.0349 -0.0000 -0.0053  0.4791      0.0000 -0.4851  0.0000  0.3148 -0.0311  0.0002  0.0077 -0.0001 -0.0350 -0.3113
  o =  0.5744  v = -0.0091  0.0160  0.4963  0.0064  0.0013 -0.0233 -0.2890  0.0003 -0.5067  0.0130      0.0000  0.0051 -0.2781 -0.0071  0.0128 -0.0118 -0.5061  0.0045  0.2787 -0.0257
  o =  0.5784  v = -0.0617  0.2651 -0.0271  0.2930  0.0000 -0.4514 -0.0222  0.0888  0.0238  0.4314      0.0000  0.1326  0.0058 -0.1502  0.0600 -0.4624  0.0237  0.0632 -0.0330 -0.4210
  o =  0.5792  v =  0.0554 -0.4587 -0.0005 -0.1913  0.0001 -0.0392  0.0181 -0.2834  0.0010  0.1050      0.0000  0.2961 -0.0054 -0.4933 -0.0532 -0.1187  0.0008 -0.5539  0.0276 -0.0343
  o =  0.5805  v =  0.6786  0.0621  0.0090  0.0425  0.0002 -0.0420  0.2729  0.0334 -0.0054  0.0313      0.0000 -0.0124 -0.0036  0.0271 -0.6089 -0.0363 -0.0053  0.0542  0.2795 -0.0365
  o =  0.6249  v =  0.0167  0.0158 -0.7609  0.0042 -0.0010  0.0313 -0.1549  0.0039 -0.3722  0.0146      0.0000  0.0094  0.3077 -0.0031  0.0093  0.0221 -0.3733 -0.0122  0.1468 -0.0203
  o =  0.6272  v = -0.0657 -0.2253 -0.0373 -0.2559  0.0001 -0.5141  0.0164  0.1244 -0.0211 -0.3779      0.0000 -0.1174  0.0108  0.1406 -0.0469 -0.5240 -0.0208  0.0772  0.0279  0.3705
  o =  0.6278  v =  0.0586  0.3922 -0.0006  0.1241  0.0001 -0.0270 -0.0121 -0.3025 -0.0004 -0.1042      0.0000 -0.2279 -0.0147  0.4132  0.0443 -0.1382 -0.0000 -0.6921 -0.0275  0.0208
  o =  0.6290  v =  0.7242 -0.0529  0.0097 -0.0335 -0.0001 -0.0416 -0.2611  0.0337  0.0074 -0.0266      0.0000  0.0078 -0.0041 -0.0210  0.5678 -0.0334  0.0073  0.0603 -0.2665  0.0330
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6063 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0199
 -0.0000  0.5545 -0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0000  0.0460 -0.0002
 -0.0001 -0.0000  0.6086  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5546 -0.0000     -0.0000 -0.0460  0.0000  0.0000 -0.0002
  0.0000  0.0000 -0.0000 -0.0000  0.5614     -0.0199  0.0002 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0098 -0.0000
 -0.0098  0.0006 -0.0000 -0.0000  0.0001     -0.0000 -0.0004 -0.0167 -0.0000 -0.0449
  0.0000  0.0000  0.0000 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0167  0.0004 -0.0449      0.0098 -0.0000  0.0000 -0.0006  0.0001
 -0.0000 -0.0001  0.0000  0.0445  0.0005     -0.0000  0.0442  0.0000 -0.0001 -0.0005
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0098  0.0000
  0.0098  0.0006  0.0000 -0.0000 -0.0001     -0.0000  0.0004 -0.0169  0.0000 -0.0442
  0.0000 -0.0000  0.0000  0.0167  0.0000     -0.0000  0.0167  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0004  0.0445      0.0098  0.0000  0.0000  0.0006  0.0001
 -0.0000  0.0001  0.0000 -0.0449  0.0005      0.0000  0.0449 -0.0000 -0.0001  0.0005
 
spin component  4
 
  0.6057  0.0000 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0197
  0.0000  0.5456 -0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000 -0.0428 -0.0002
 -0.0001 -0.0000  0.6081 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5455  0.0000     -0.0000  0.0428  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0000  0.5522      0.0197  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4621  v = -0.0065  0.0377  0.0002  0.0238 -0.0012  0.0003 -0.5944  0.0004 -0.0023 -0.0236      0.0000  0.0202 -0.0001 -0.0343 -0.5366  0.0002  0.0003  0.0003 -0.5943  0.0376
  o =  0.4640  v =  0.0008  0.4582  0.0005  0.3475 -0.0040  0.0008  0.0445  0.0001 -0.0065 -0.3488      0.0000  0.3460 -0.0001 -0.4581  0.0382  0.0005  0.0015  0.0000  0.0452  0.4610
  o =  0.5728  v = -0.0097  0.0088  0.5143  0.0231 -0.0011 -0.0239  0.1964 -0.0024 -0.5519  0.0556      0.0000  0.0277  0.1882 -0.0168  0.0142 -0.0478 -0.5522 -0.0044 -0.2077 -0.0278
  o =  0.5767  v =  0.0764 -0.2607  0.0554 -0.2127 -0.0001  0.4697  0.0354 -0.0026 -0.0520 -0.4124      0.0000 -0.2037 -0.0012  0.2041 -0.0790  0.4204 -0.0524 -0.0289  0.0374  0.4606
  o =  0.5797  v = -0.5599  0.1655 -0.0014  0.1974  0.0001  0.0710 -0.2347  0.2584 -0.0013 -0.0409      0.0000 -0.2378 -0.0036  0.2259  0.5219  0.0485 -0.0014  0.2322 -0.2273  0.0612
  o =  0.5803  v = -0.3692 -0.3058 -0.0093 -0.3452  0.0004  0.0047 -0.1509 -0.4043  0.0066 -0.0276      0.0000  0.3200 -0.0003 -0.3017  0.3330  0.0292  0.0071 -0.3691 -0.1497  0.0059
  o =  0.6241  v = -0.0183 -0.0107  0.7865 -0.0255 -0.0016 -0.0544 -0.1156 -0.0048  0.3669 -0.0588      0.0000 -0.0312  0.2565  0.0228 -0.0091 -0.0930  0.3652 -0.0099  0.1233  0.0346
  o =  0.6258  v =  0.0906  0.2125  0.1103  0.1733 -0.0004  0.5680 -0.0285 -0.0103  0.0568  0.3376      0.0000  0.1659 -0.0000 -0.1740  0.0607  0.4988  0.0568 -0.0387 -0.0287 -0.3846
  o =  0.6283  v =  0.5401  0.1682 -0.0097  0.2207  0.0001 -0.0698 -0.1918 -0.3986 -0.0035 -0.0338      0.0000 -0.2543  0.0076  0.2221  0.4119 -0.0425 -0.0037 -0.3276 -0.1837  0.0543
  o =  0.6288  v = -0.4940  0.2240 -0.0125  0.2751 -0.0004  0.0191  0.1776 -0.4286 -0.0076  0.0289      0.0000 -0.2479 -0.0007  0.2111 -0.3840  0.0377 -0.0082 -0.3566  0.1765 -0.0141
     EDDAV:  cpu time   78.9448: real time   79.6933
       DOS:  cpu time    0.0475: real time    0.0477
    CHARGE:  cpu time    1.1964: real time    1.2079
    MIXING:  cpu time    0.0330: real time    0.0332
    --------------------------------------------
      LOOP:  cpu time   81.1387: real time   81.9069

 eigenvalue-minimisations  : 14248
 total energy-change (2. order) : 0.6929623E-01  (-0.1712003E-01)
 number of electron    1039.9999692 magnetization       0.0312450     -0.0020324     -0.0434413
 augmentation part       28.5034282 magnetization      -0.0127898     -0.0020017      0.0081853

 Broyden mixing:
  rms(total) = 0.60449E+00    rms(broyden)= 0.60447E+00
  rms(prec ) = 0.63985E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5745
  2.0880  1.2249  1.2249  0.5981  0.5981  0.3910  0.3910  0.2513  0.1755  0.1755
  0.1361  0.1196  0.0949

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17408.76722949
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2475.98093713
  PAW double counting   =     84393.09540389   -83213.86161701
  entropy T*S    EENTRO =        -0.15251654
  eigenvalues    EBANDS =     -6105.08218132
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.25992153 eV

  energy without entropy =    -1066.10740499  energy(sigma->0) =    -1066.20908268


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  19)  ---------------------------------------


    POTLOK:  cpu time    0.4770: real time    0.4823
    SETDIJ:  cpu time    0.4455: real time    0.4481
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6048 -0.0000 -0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0000  0.5415 -0.0000  0.0000 -0.0001      0.0000  0.0000 -0.0000  0.0376 -0.0011
 -0.0000 -0.0000  0.6072  0.0000  0.0001     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000  0.0000  0.0000  0.5426 -0.0001      0.0000 -0.0376 -0.0000 -0.0000  0.0010
  0.0000 -0.0001  0.0001 -0.0001  0.5495     -0.0195  0.0011 -0.0000 -0.0010  0.0000
 
spin component  2
 
  0.0001  0.0097  0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0021 -0.0000 -0.0002  0.0001     -0.0000  0.0016 -0.0168 -0.0002 -0.0415
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0000
 -0.0000 -0.0003  0.0168  0.0016 -0.0411      0.0096 -0.0001  0.0000  0.0019  0.0001
  0.0001  0.0000  0.0000  0.0431  0.0023     -0.0001  0.0429 -0.0000  0.0000  0.0023
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0096  0.0001
  0.0097  0.0021 -0.0000 -0.0003  0.0000     -0.0000 -0.0016 -0.0164  0.0001 -0.0429
  0.0000 -0.0000  0.0001  0.0168  0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0164  0.0016  0.0431      0.0097  0.0002  0.0000 -0.0019 -0.0000
  0.0001  0.0001  0.0000 -0.0411  0.0023      0.0001  0.0415  0.0000 -0.0001 -0.0023
 
spin component  4
 
  0.6056  0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0198
  0.0001  0.5556  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0440 -0.0012
 -0.0000  0.0000  0.6078 -0.0000  0.0001      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.5560  0.0001      0.0000  0.0440 -0.0000 -0.0000  0.0011
 -0.0000  0.0001  0.0001  0.0001  0.5639      0.0198  0.0012  0.0000 -0.0011 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4664  v = -0.0015 -0.3795  0.0018  0.4546  0.0042  0.0053  0.0937 -0.0001 -0.0046 -0.4017      0.0000  0.4560 -0.0001  0.3746  0.1050 -0.0064 -0.0122 -0.0004  0.0948 -0.3326
  o =  0.4694  v =  0.0030 -0.0659  0.0003  0.0695  0.0127  0.0019 -0.5651 -0.0015  0.0108 -0.0606      0.0000  0.0830 -0.0002  0.0776 -0.5794 -0.0019 -0.0142  0.0012 -0.5617 -0.0568
  o =  0.5662  v = -0.1148  0.4616  0.0019 -0.4066  0.0003 -0.0224 -0.0762 -0.3158  0.0009 -0.0057      0.0000  0.3965 -0.0035  0.4354  0.1588  0.0052 -0.0005  0.3530 -0.0680 -0.0325
  o =  0.5735  v = -0.5620 -0.0383 -0.0349  0.0184  0.0002 -0.1162 -0.3081  0.0802  0.0340 -0.1421      0.0000 -0.1467  0.0026 -0.1608  0.5950  0.1227  0.0342 -0.0954 -0.3164 -0.1345
  o =  0.5785  v =  0.1481  0.1074 -0.5077 -0.1286  0.0011 -0.2558  0.0622 -0.0193  0.4347 -0.2651      0.0000 -0.0896 -0.0031 -0.0979 -0.1315  0.2707  0.4334  0.0043  0.0679 -0.2502
  o =  0.5810  v = -0.1426 -0.1473 -0.4051  0.1545  0.0009  0.3872 -0.0679  0.0138  0.3142  0.3282      0.0000  0.1344 -0.0169  0.1483  0.1131 -0.3791  0.3132 -0.0029 -0.0412  0.3349
  o =  0.6206  v = -0.2744 -0.2436  0.0042  0.2295 -0.0002 -0.0441  0.0739 -0.5672  0.0055  0.0147      0.0000 -0.2135 -0.0017 -0.2231 -0.1514  0.0294  0.0055  0.5985  0.0736  0.0228
  o =  0.6230  v = -0.7165  0.0526 -0.0456 -0.0420  0.0001 -0.1497  0.2156  0.1905 -0.0236  0.0959      0.0000  0.1310  0.0212  0.1361 -0.4416  0.1610 -0.0235 -0.2048  0.2404  0.0885
  o =  0.6268  v =  0.1457 -0.0874 -0.6263  0.1231  0.0010 -0.2434 -0.0825 -0.0307 -0.3672  0.2454      0.0000  0.0902  0.0485  0.0710  0.1104  0.3255 -0.3649  0.0193 -0.0266  0.1835
  o =  0.6291  v =  0.1373 -0.1621  0.4207  0.1470 -0.0004 -0.4270 -0.0889 -0.0077  0.2748  0.3070      0.0000  0.1316  0.0494  0.1568  0.1170  0.3738  0.2735  0.0038 -0.0249  0.3507
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6052  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0001  0.0000  0.0201
  0.0001  0.5459  0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0434  0.0013
 -0.0000  0.0000  0.6075 -0.0000 -0.0000     -0.0001 -0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0000  0.5455  0.0003     -0.0000 -0.0434  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0000  0.0003  0.5528     -0.0201 -0.0013 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0100 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0100  0.0001
 -0.0100 -0.0026  0.0000  0.0000  0.0000     -0.0000 -0.0001 -0.0172  0.0002 -0.0467
  0.0000  0.0000 -0.0001 -0.0169 -0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0172 -0.0023 -0.0468      0.0100  0.0002 -0.0000 -0.0001  0.0000
 -0.0000 -0.0000 -0.0000  0.0475 -0.0028      0.0001  0.0477  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0002 -0.0100  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0100 -0.0001
  0.0100 -0.0026  0.0000  0.0000 -0.0000     -0.0000  0.0001 -0.0169 -0.0002 -0.0477
 -0.0000  0.0000 -0.0001  0.0172 -0.0000     -0.0000  0.0172  0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0169 -0.0023  0.0475      0.0100 -0.0002  0.0000  0.0001  0.0000
  0.0000  0.0000 -0.0000 -0.0468 -0.0028     -0.0001  0.0467 -0.0000 -0.0000  0.0001
 
spin component  4
 
  0.6059 -0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0203
 -0.0001  0.5573 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0486  0.0013
 -0.0000 -0.0000  0.6081  0.0000 -0.0001     -0.0000 -0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000  0.0000  0.5569 -0.0003     -0.0000  0.0486  0.0000  0.0000 -0.0000
  0.0000  0.0000 -0.0001 -0.0003  0.5638      0.0203 -0.0013  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4589  v = -0.0013  0.5813  0.0001 -0.0064 -0.0008 -0.0060  0.1305 -0.0000 -0.0009  0.0057      0.0000 -0.0063  0.0014 -0.5793  0.1331  0.0001  0.0001  0.0003  0.1168  0.5273
  o =  0.4610  v =  0.0017  0.1256  0.0001 -0.0055 -0.0147 -0.0024 -0.5574 -0.0000 -0.0147  0.0045      0.0000 -0.0057  0.0005 -0.1407 -0.5689  0.0001  0.0142 -0.0015 -0.5627  0.1129
  o =  0.5725  v =  0.1454  0.5767  0.0007 -0.0216  0.0005 -0.0129  0.0766 -0.0207 -0.0014  0.0003      0.0000  0.0218  0.0027  0.5603 -0.1641  0.0001 -0.0009  0.5405  0.0748 -0.0144
  o =  0.5779  v =  0.6070 -0.0318  0.0063 -0.0004 -0.0001 -0.2197  0.3244  0.0050 -0.0047 -0.0106      0.0000 -0.0095  0.0463 -0.2288 -0.5451  0.0110 -0.0049 -0.1474  0.2403 -0.2134
  o =  0.5811  v =  0.2098 -0.2021 -0.0347  0.0112  0.0008  0.4701 -0.2737  0.0015  0.0267  0.0228      0.0000  0.0089 -0.4628  0.1452 -0.1646 -0.0269  0.0276 -0.0381  0.4351  0.4023
  o =  0.5832  v =  0.1342 -0.1888  0.0292  0.0068 -0.0008  0.4902  0.4086  0.0027 -0.0198  0.0131      0.0000  0.0050  0.5127  0.1553 -0.0960 -0.0172 -0.0207 -0.0198 -0.3144  0.3761
  o =  0.6241  v = -0.2189  0.3880 -0.0013 -0.0120  0.0001  0.0342  0.0742  0.0250 -0.0004 -0.0003      0.0000  0.0117 -0.0078  0.3672 -0.1405  0.0006 -0.0001 -0.7970  0.0606 -0.0204
  o =  0.6274  v = -0.6676 -0.0362 -0.0049 -0.0003  0.0001  0.2519  0.2875 -0.0063 -0.0036 -0.0075      0.0000 -0.0069 -0.0683 -0.2055 -0.4865 -0.0111 -0.0036  0.2154  0.2106 -0.1796
  o =  0.6302  v =  0.1845  0.1648 -0.0413 -0.0077  0.0004  0.3847  0.3067  0.0018 -0.0272 -0.0154      0.0000 -0.0062 -0.5817 -0.1208  0.1556 -0.0180 -0.0268 -0.0293 -0.4601 -0.3213
  o =  0.6326  v = -0.1438 -0.2370 -0.0246  0.0093  0.0005 -0.5250  0.3669 -0.0017 -0.0183  0.0165      0.0000  0.0059 -0.4163  0.2012 -0.1323  0.0187 -0.0179  0.0258 -0.2368  0.4721
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059 -0.0000 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0200
 -0.0000  0.5544 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0444 -0.0002
 -0.0000 -0.0000  0.6081  0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0000  0.0000  0.5544 -0.0000      0.0000 -0.0444 -0.0000 -0.0000 -0.0001
  0.0000  0.0000 -0.0000 -0.0000  0.5615     -0.0200  0.0002 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0006 -0.0000  0.0000  0.0000     -0.0000 -0.0002 -0.0166 -0.0000 -0.0448
  0.0000 -0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0166  0.0005 -0.0448      0.0098 -0.0000  0.0000 -0.0003  0.0000
 -0.0000 -0.0000  0.0000  0.0438  0.0006     -0.0000  0.0437  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0098  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0006 -0.0000 -0.0000 -0.0000     -0.0000  0.0002 -0.0169  0.0000 -0.0437
 -0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0169  0.0005  0.0438      0.0098  0.0000  0.0000  0.0003 -0.0000
 -0.0000  0.0000  0.0000 -0.0448  0.0006      0.0000  0.0448 -0.0000 -0.0000  0.0002
 
spin component  4
 
  0.6054  0.0000 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0000  0.5448 -0.0000 -0.0001 -0.0001      0.0000  0.0000 -0.0000 -0.0407 -0.0002
 -0.0000 -0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5445  0.0000      0.0000  0.0407 -0.0000 -0.0000 -0.0001
 -0.0000 -0.0001 -0.0000  0.0000  0.5522      0.0198  0.0002  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4632  v = -0.0061  0.0246  0.0000  0.0140 -0.0030  0.0002 -0.5938  0.0002 -0.0034 -0.0141      0.0000  0.0121 -0.0001 -0.0211 -0.5399  0.0002  0.0030  0.0004 -0.5947  0.0247
  o =  0.4657  v =  0.0006  0.4546  0.0005  0.3507 -0.0030  0.0015  0.0272 -0.0001 -0.0056 -0.3550      0.0000  0.3503 -0.0002 -0.4551  0.0238  0.0011  0.0019  0.0002  0.0292  0.4608
  o =  0.5706  v = -0.0029 -0.0061  0.4303  0.0169 -0.0002  0.0062  0.3480 -0.0010 -0.4849  0.0394      0.0000  0.0184  0.3097  0.0002  0.0042 -0.0321 -0.4859 -0.0031 -0.3510  0.0072
  o =  0.5763  v =  0.0576 -0.3163  0.0229 -0.0847 -0.0003  0.6103  0.0034  0.0049 -0.0212 -0.1734      0.0000 -0.0918 -0.0255  0.2893 -0.0595  0.1779 -0.0222 -0.0144  0.0519  0.5955
  o =  0.5788  v = -0.1988  0.4436  0.0024  0.2466 -0.0001  0.0319 -0.0829  0.2874 -0.0024  0.0029      0.0000 -0.2436 -0.0013  0.4717  0.1880 -0.0014 -0.0026  0.5363 -0.0818  0.0284
  o =  0.5798  v =  0.6484  0.1646  0.0022  0.0836 -0.0002 -0.0535  0.2672  0.0912 -0.0012  0.0172      0.0000 -0.0672  0.0040  0.1201 -0.5864 -0.0199 -0.0012  0.1726  0.2598 -0.0457
  o =  0.6229  v =  0.0041 -0.0071 -0.7138  0.0131  0.0010 -0.0103  0.1999  0.0052 -0.3163  0.0347      0.0000  0.0199 -0.4525 -0.0010  0.0019  0.0573 -0.3160  0.0074 -0.2012  0.0065
  o =  0.6255  v = -0.0700 -0.2546 -0.0391 -0.0866 -0.0000 -0.7160  0.0002 -0.0052 -0.0204 -0.1791      0.0000 -0.0941  0.0431  0.2349 -0.0467 -0.2646 -0.0207  0.0183  0.0441  0.4851
  o =  0.6275  v = -0.1846 -0.3691  0.0073 -0.2149  0.0001  0.0309  0.0619  0.3656  0.0033 -0.0015      0.0000  0.2137  0.0034 -0.3920 -0.1394 -0.0032  0.0036  0.6492  0.0642 -0.0235
  o =  0.6286  v =  0.7055 -0.1225  0.0007 -0.0654  0.0002 -0.0545 -0.2579  0.0919  0.0007 -0.0189      0.0000  0.0470  0.0071 -0.0801  0.5510 -0.0242  0.0009  0.1653 -0.2504  0.0432
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5574  0.0000 -0.0001  0.0001     -0.0000 -0.0000 -0.0000  0.0465 -0.0003
 -0.0000  0.0000  0.6080  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5573 -0.0000      0.0000 -0.0465  0.0000 -0.0000 -0.0004
  0.0000  0.0001  0.0000 -0.0000  0.5647     -0.0199  0.0003 -0.0000  0.0004 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097 -0.0000
 -0.0097  0.0007  0.0000  0.0001 -0.0000     -0.0000 -0.0008 -0.0164 -0.0000 -0.0440
  0.0000  0.0000  0.0000 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0164  0.0005 -0.0441      0.0097 -0.0000  0.0000 -0.0009 -0.0000
 -0.0000 -0.0001  0.0000  0.0426  0.0008     -0.0000  0.0425  0.0000 -0.0001 -0.0010
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097  0.0000
  0.0097  0.0007  0.0000  0.0001 -0.0001     -0.0000  0.0008 -0.0169  0.0000 -0.0425
  0.0000  0.0000  0.0000  0.0164  0.0000     -0.0000  0.0164  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0169  0.0005  0.0426      0.0097  0.0000  0.0000  0.0009  0.0001
 -0.0000 -0.0000  0.0000 -0.0441  0.0008      0.0000  0.0440 -0.0000  0.0000  0.0010
 
spin component  4
 
  0.6048  0.0000 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0196
  0.0000  0.5413 -0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0396 -0.0003
 -0.0000 -0.0000  0.6073 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5415  0.0000      0.0000  0.0396  0.0000  0.0000 -0.0004
  0.0000 -0.0001  0.0000  0.0000  0.5497      0.0196  0.0003  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4635  v = -0.0094  0.0252  0.0001  0.0342  0.0034  0.0003 -0.6013  0.0006  0.0036 -0.0347      0.0000  0.0287  0.0002 -0.0214 -0.5214  0.0005 -0.0042  0.0004 -0.6013  0.0256
  o =  0.4670  v =  0.0012  0.3628  0.0008  0.4396  0.0016  0.0020  0.0443  0.0002 -0.0015 -0.4528      0.0000  0.4393  0.0002 -0.3635  0.0340  0.0025 -0.0056 -0.0003  0.0424  0.3741
  o =  0.5676  v = -0.0021  0.0266  0.1566 -0.0167  0.0007 -0.0396 -0.5808 -0.0007 -0.1933 -0.0371      0.0000 -0.0165 -0.4705 -0.0209  0.0032  0.0283 -0.1924  0.0027  0.5781 -0.0526
  o =  0.5745  v =  0.0693 -0.2081  0.0497 -0.2606  0.0003  0.3757  0.0487 -0.0033 -0.0500 -0.4946      0.0000 -0.2528  0.0137  0.1893 -0.0776  0.4851 -0.0500 -0.0093  0.0207  0.3827
  o =  0.5801  v =  0.6550 -0.0626 -0.0054 -0.0966 -0.0001 -0.0514  0.2480 -0.1504  0.0051  0.0512      0.0000  0.1467 -0.0047 -0.1036 -0.5954 -0.0624  0.0050 -0.1027  0.2556 -0.0421
  o =  0.5818  v =  0.1970  0.2831  0.0010  0.4131  0.0005 -0.0025  0.0734  0.5401 -0.0017  0.0118      0.0000 -0.4028  0.0009  0.2809 -0.1645 -0.0150 -0.0014  0.3735  0.0724 -0.0023
  o =  0.6213  v = -0.0050 -0.0230  0.8601 -0.0136 -0.0005 -0.0863  0.0010 -0.0058  0.3492 -0.0354      0.0000 -0.0206  0.0003  0.0249 -0.0023 -0.0620  0.3485 -0.0000  0.0012  0.0496
  o =  0.6238  v =  0.0892  0.1632  0.1032  0.2025 -0.0004  0.4842 -0.0388 -0.0088  0.0493  0.3862      0.0000  0.1927  0.0288 -0.1544  0.0550  0.6020  0.0490 -0.0106 -0.0121 -0.3103
  o =  0.6284  v =  0.6674  0.0867 -0.0088  0.1220  0.0001 -0.0487 -0.2330 -0.2314 -0.0046 -0.0481      0.0000 -0.1691 -0.0032  0.1261  0.5335 -0.0588 -0.0045 -0.1693 -0.2380  0.0400
  o =  0.6297  v = -0.2719  0.2686 -0.0043  0.3671  0.0002  0.0112  0.1037 -0.5427 -0.0019  0.0146      0.0000 -0.3534 -0.0019  0.2601 -0.2274  0.0165 -0.0016 -0.3982  0.1018 -0.0089
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
  0.0001  0.5522 -0.0000 -0.0002 -0.0001     -0.0000  0.0000  0.0000  0.0425  0.0007
 -0.0001 -0.0000  0.6078 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5523  0.0002      0.0000 -0.0425 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.0002  0.5582     -0.0198 -0.0007 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0098  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0024  0.0000  0.0001  0.0004      0.0000  0.0002 -0.0166  0.0003 -0.0439
  0.0000 -0.0000 -0.0001 -0.0169 -0.0000      0.0000  0.0168  0.0000  0.0000 -0.0000
  0.0000  0.0000  0.0166 -0.0019 -0.0438      0.0098  0.0002  0.0000  0.0002  0.0004
 -0.0000 -0.0003 -0.0000  0.0429 -0.0026      0.0001  0.0430 -0.0000 -0.0003  0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0098 -0.0001
  0.0098 -0.0024 -0.0000  0.0000 -0.0003     -0.0000 -0.0002 -0.0168 -0.0002 -0.0430
  0.0000  0.0000 -0.0001  0.0166 -0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0169 -0.0019  0.0429      0.0097 -0.0003 -0.0000 -0.0002  0.0003
  0.0000  0.0004 -0.0000 -0.0438 -0.0026     -0.0001  0.0439  0.0000 -0.0004 -0.0001
 
spin component  4
 
  0.6054 -0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0197
 -0.0001  0.5438 -0.0000 -0.0003  0.0001      0.0000 -0.0000  0.0000 -0.0398  0.0007
 -0.0001 -0.0000  0.6074  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5437 -0.0001     -0.0000  0.0398 -0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0001  0.5504      0.0197 -0.0007  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4631  v = -0.0044 -0.1560  0.0001 -0.0070 -0.0025 -0.0014 -0.5725 -0.0001 -0.0025  0.0071      0.0000 -0.0064 -0.0004  0.1408 -0.5288 -0.0001  0.0026 -0.0017 -0.5685 -0.1582
  o =  0.4662  v =  0.0026 -0.5500  0.0003 -0.0480 -0.0056 -0.0020  0.1503  0.0001 -0.0074  0.0493      0.0000 -0.0493 -0.0019  0.5536  0.1375 -0.0002  0.0045  0.0003  0.1667 -0.5608
  o =  0.5690  v = -0.0297 -0.0450  0.4428 -0.0461  0.0001  0.0670 -0.3085  0.0003 -0.5166 -0.1035      0.0000 -0.0436 -0.2480  0.0339  0.0391  0.0791 -0.5180 -0.0054  0.2708  0.0870
  o =  0.5746  v =  0.2450  0.4102  0.0374  0.1118 -0.0006 -0.5225  0.0244  0.0963 -0.0368  0.0319      0.0000 -0.0772 -0.1007 -0.1513 -0.2678 -0.0309 -0.0346  0.1322  0.2237 -0.5405
  o =  0.5762  v = -0.1756 -0.3870  0.0202  0.2045 -0.0016 -0.1842 -0.0975  0.1385 -0.0217  0.1489      0.0000 -0.0526 -0.0238 -0.5712  0.1863 -0.1526 -0.0165 -0.5176 -0.0566 -0.1816
  o =  0.5787  v =  0.5795 -0.2963  0.0239  0.0120 -0.0001  0.2096  0.2710 -0.0015 -0.0198  0.0258      0.0000  0.0157  0.0230 -0.1136 -0.5439 -0.0297 -0.0191 -0.2417  0.2296  0.1877
  o =  0.6219  v = -0.0548  0.0564  0.5671  0.0249  0.0012  0.1770  0.2698  0.0073  0.2411  0.0658      0.0000  0.0369 -0.6002 -0.0409 -0.0279  0.1136  0.2425 -0.0147 -0.2423 -0.1018
  o =  0.6242  v =  0.3060 -0.2900  0.0482 -0.0447  0.0007 -0.6804  0.0082  0.0896  0.0248 -0.0017      0.0000  0.0421 -0.2042  0.1520  0.1932 -0.0039  0.0247  0.1369 -0.1917  0.4316
  o =  0.6255  v =  0.2366 -0.3074 -0.0224  0.0866 -0.0009  0.2164 -0.0879 -0.0968 -0.0118  0.0698      0.0000 -0.0165  0.0256 -0.4554  0.1651  0.0999 -0.0104  0.7085 -0.0571 -0.1473
  o =  0.6274  v = -0.6479 -0.2582 -0.0236  0.0080 -0.0000 -0.2205  0.2457  0.0039 -0.0151  0.0188      0.0000  0.0117 -0.0361 -0.0954 -0.4820  0.0245 -0.0147  0.2990  0.2066  0.1663
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0198
  0.0001  0.5475 -0.0000 -0.0002  0.0000      0.0000 -0.0000  0.0000  0.0408  0.0009
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5473  0.0002     -0.0000 -0.0408 -0.0000  0.0000  0.0003
 -0.0000  0.0000 -0.0000  0.0002  0.5540     -0.0198 -0.0009 -0.0000 -0.0003 -0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0098  0.0001
 -0.0098 -0.0029  0.0000 -0.0002  0.0004     -0.0000  0.0006 -0.0167  0.0002 -0.0434
 -0.0000 -0.0000 -0.0001 -0.0167 -0.0001      0.0000  0.0167  0.0000  0.0000 -0.0000
  0.0000 -0.0001  0.0167 -0.0023 -0.0433      0.0097  0.0003 -0.0000  0.0009  0.0004
  0.0000 -0.0003 -0.0000  0.0434 -0.0030      0.0001  0.0434 -0.0000 -0.0003  0.0011
 
spin component  3
 
 -0.0001 -0.0098 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0029 -0.0000 -0.0001 -0.0003      0.0000 -0.0006 -0.0167 -0.0003 -0.0434
 -0.0000  0.0000 -0.0001  0.0167 -0.0000     -0.0000  0.0167 -0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0167 -0.0023  0.0434      0.0098 -0.0002 -0.0000 -0.0009  0.0003
  0.0000  0.0004 -0.0001 -0.0433 -0.0030     -0.0001  0.0434  0.0000 -0.0004 -0.0011
 
spin component  4
 
  0.6058 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5484  0.0000 -0.0003 -0.0000     -0.0000  0.0000  0.0000 -0.0413  0.0008
 -0.0001  0.0000  0.6077  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5484 -0.0004     -0.0000  0.0413 -0.0000 -0.0000  0.0003
 -0.0000 -0.0000 -0.0000 -0.0004  0.5544      0.0198 -0.0008  0.0000 -0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4637  v = -0.0001  0.4190  0.0001 -0.1318  0.2257 -0.0002  0.3128  0.0012  0.2277  0.1350      0.0000 -0.1422  0.0017 -0.4111  0.3027 -0.0000 -0.2286  0.0009  0.2981  0.4078
  o =  0.4657  v =  0.0018 -0.3634  0.0008 -0.1060  0.0157  0.0021  0.4347  0.0005  0.0120  0.1033      0.0000 -0.1116 -0.0012  0.3792  0.4220  0.0005 -0.0202  0.0018  0.4459 -0.3510
  o =  0.5718  v = -0.2029 -0.5371  0.1338 -0.2211  0.0009  0.1050 -0.1977 -0.1573 -0.1444 -0.1080      0.0000  0.1196 -0.0828 -0.4166  0.2447  0.0904 -0.1459 -0.4428 -0.0228  0.1247
  o =  0.5729  v = -0.0348  0.1353  0.3897  0.0424  0.0007  0.1536 -0.3202  0.0950 -0.4051 -0.1243      0.0000 -0.1507 -0.2837  0.2926  0.0361  0.1066 -0.4040  0.2050  0.2708  0.1788
  o =  0.5757  v =  0.4114  0.0338  0.1501 -0.0408  0.0012 -0.3519  0.0421 -0.0800 -0.1417  0.0678      0.0000  0.1114 -0.1779 -0.3277 -0.4190 -0.0676 -0.1421 -0.1557  0.3785 -0.3598
  o =  0.5782  v = -0.4385  0.2802  0.0331  0.0648  0.0006 -0.4516 -0.2902  0.0028 -0.0302  0.1297      0.0000  0.0584 -0.1070 -0.1263  0.4108 -0.1370 -0.0299  0.0873 -0.1019 -0.4251
  o =  0.6230  v = -0.3375  0.3571  0.1464  0.1156  0.0008  0.2076  0.1996 -0.1862  0.0646  0.0636      0.0000 -0.0537 -0.2182  0.2393 -0.2031  0.1110  0.0654 -0.6461 -0.0078 -0.1216
  o =  0.6236  v = -0.0608 -0.1184  0.6639  0.1976 -0.0038  0.0618 -0.0427 -0.2557  0.3161  0.1695      0.0000 -0.0418  0.1246 -0.1537 -0.0335  0.2694  0.3191  0.2804  0.0797 -0.0369
  o =  0.6251  v =  0.4893 -0.0080  0.2234  0.0449  0.0007 -0.4134 -0.0155 -0.1346  0.1161 -0.0476      0.0000 -0.0940 -0.2786  0.2622  0.3219 -0.0732  0.1178 -0.2431 -0.3063  0.2696
  o =  0.6270  v =  0.4889  0.2508 -0.0531  0.0636 -0.0007  0.5102 -0.2541 -0.0144 -0.0288  0.1178      0.0000  0.0497  0.1428 -0.1073  0.3572  0.1625 -0.0296 -0.1277 -0.0906 -0.3711
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6020 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0194
 -0.0002  0.5481  0.0000 -0.0001 -0.0000     -0.0000  0.0000 -0.0001  0.0380 -0.0025
 -0.0001  0.0000  0.6054  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5482 -0.0003      0.0000 -0.0380  0.0000 -0.0000 -0.0003
 -0.0000 -0.0000  0.0000 -0.0003  0.5590     -0.0194  0.0025 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0003  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0002
 -0.0096  0.0062 -0.0000  0.0002  0.0002     -0.0000 -0.0007 -0.0164 -0.0007 -0.0414
  0.0000  0.0000  0.0003 -0.0163  0.0001     -0.0000  0.0163 -0.0000  0.0000  0.0000
  0.0000  0.0001  0.0164  0.0047 -0.0411      0.0096 -0.0005  0.0000 -0.0008  0.0002
 -0.0000 -0.0001  0.0001  0.0421  0.0074     -0.0002  0.0420  0.0000 -0.0001 -0.0011
 
spin component  3
 
  0.0003 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0002
  0.0096  0.0062  0.0000  0.0001 -0.0001     -0.0000  0.0007 -0.0163  0.0005 -0.0420
  0.0000 -0.0000  0.0003  0.0164  0.0001      0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000  0.0002 -0.0163  0.0047  0.0421      0.0096  0.0007 -0.0000  0.0008  0.0001
 -0.0000  0.0002  0.0001 -0.0411  0.0074      0.0002  0.0414 -0.0000 -0.0002  0.0011
 
spin component  4
 
  0.6022  0.0002 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0195
  0.0002  0.5518 -0.0000 -0.0002  0.0000      0.0000 -0.0000 -0.0001 -0.0395 -0.0028
 -0.0001 -0.0000  0.6056 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5516  0.0003      0.0000  0.0395  0.0000  0.0000 -0.0004
 -0.0000  0.0000 -0.0000  0.0003  0.5637      0.0195  0.0028  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4704  v =  0.0007  0.4843  0.0003 -0.0090 -0.0582 -0.0037 -0.3557  0.0010 -0.0598  0.0123      0.0000 -0.0168 -0.0038 -0.4607 -0.3409  0.0001  0.0567  0.0027 -0.3224  0.4425
  o =  0.4739  v = -0.0043 -0.3397 -0.0007 -0.0429 -0.0067  0.0065 -0.4613  0.0007 -0.0036  0.0398      0.0000 -0.0484  0.0030  0.3746 -0.4396  0.0008  0.0105  0.0041 -0.4867 -0.3087
  o =  0.5692  v = -0.2642  0.5706  0.0401  0.0878  0.0004 -0.1454 -0.2437  0.0624 -0.0470  0.0386      0.0000 -0.0540 -0.1004  0.4072  0.3213 -0.0305 -0.0470  0.4360 -0.0290 -0.1760
  o =  0.5726  v =  0.0956  0.1199 -0.1741  0.0017 -0.0012  0.2695  0.4737  0.0333  0.1745 -0.0754      0.0000 -0.0602  0.4096  0.3577 -0.0914  0.0684  0.1749  0.2328 -0.3544  0.2985
  o =  0.5759  v = -0.4520 -0.0790 -0.1025 -0.0249 -0.0015 -0.2390  0.0751 -0.0349  0.0917  0.0089      0.0000  0.0396  0.3150 -0.3129  0.4077 -0.0119  0.0912 -0.2209 -0.4872 -0.2155
  o =  0.5813  v =  0.4267  0.2548 -0.0338  0.0298 -0.0008 -0.5818  0.2718  0.0073  0.0257  0.0534      0.0000  0.0171  0.1850 -0.1235 -0.3027 -0.0724  0.0251  0.0866  0.0030 -0.4245
  o =  0.6195  v =  0.4242  0.3445 -0.0585  0.0399 -0.0010  0.2833 -0.2267 -0.0680 -0.0229  0.0252      0.0000 -0.0158  0.2245  0.1841  0.2645  0.0441 -0.0234 -0.6103 -0.0185 -0.1705
  o =  0.6216  v =  0.0848 -0.1258 -0.3850  0.1035  0.0020  0.2831 -0.2451 -0.1207 -0.1870  0.1161      0.0000 -0.0047  0.4392 -0.2992  0.0483  0.1609 -0.1922  0.4410  0.1810 -0.1998
  o =  0.6236  v =  0.4613 -0.0763  0.1433 -0.0312  0.0009  0.2471  0.0740  0.0654  0.0784  0.0022      0.0000  0.0372 -0.4401 -0.2627  0.3408  0.0044  0.0803  0.3032 -0.4166 -0.1749
  o =  0.6298  v = -0.3671  0.2923  0.0363  0.0339  0.0006  0.4961  0.3012 -0.0091  0.0250  0.0620      0.0000  0.0222 -0.1861 -0.1500 -0.3594  0.0639  0.0257 -0.1030  0.0337 -0.4824
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6018 -0.0000 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0194
 -0.0000  0.5468  0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0000  0.0377 -0.0007
 -0.0001  0.0000  0.6053  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5468 -0.0002      0.0000 -0.0377  0.0000  0.0000 -0.0003
 -0.0000  0.0001 -0.0000 -0.0002  0.5578     -0.0194  0.0007 -0.0000  0.0003 -0.0000
 
spin component  2
 
  0.0001  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0096  0.0015 -0.0000  0.0000  0.0002     -0.0000 -0.0007 -0.0165 -0.0001 -0.0413
  0.0000  0.0000  0.0001 -0.0163  0.0000      0.0000  0.0163 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0012 -0.0413      0.0096 -0.0003  0.0000 -0.0008  0.0002
 -0.0000 -0.0002  0.0000  0.0423  0.0017     -0.0000  0.0424  0.0000 -0.0002 -0.0009
 
spin component  3
 
  0.0001 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0096  0.0000
  0.0096  0.0015  0.0000  0.0001 -0.0002     -0.0000  0.0007 -0.0163  0.0003 -0.0424
  0.0000 -0.0000  0.0001  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0163  0.0012  0.0423      0.0096  0.0001  0.0000  0.0008  0.0002
 -0.0000  0.0002  0.0000 -0.0413  0.0017      0.0000  0.0413 -0.0000 -0.0002  0.0009
 
spin component  4
 
  0.6022  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0001  0.5533 -0.0000 -0.0002 -0.0002     -0.0000  0.0000 -0.0000 -0.0401 -0.0005
 -0.0001 -0.0000  0.6056 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5533  0.0002      0.0000  0.0401  0.0000 -0.0000 -0.0003
 -0.0000 -0.0002 -0.0000  0.0002  0.5650      0.0196  0.0005  0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4709  v = -0.0003 -0.3230 -0.0013 -0.4793 -0.0764  0.0040  0.1235  0.0000 -0.0713  0.4318      0.0000 -0.4795  0.0001  0.3198  0.1242  0.0060  0.0824 -0.0004  0.1229 -0.2894
  o =  0.4731  v =  0.0017  0.1321  0.0003  0.0634 -0.0122 -0.0027  0.5634 -0.0006 -0.0137 -0.0559      0.0000  0.0685 -0.0001 -0.1428  0.5473 -0.0014  0.0110 -0.0012  0.5649  0.1176
  o =  0.5696  v = -0.0830  0.5256  0.0023  0.2855  0.0000 -0.0092 -0.0404  0.2512 -0.0038  0.0159      0.0000 -0.2710  0.0000  0.5145  0.0986 -0.0121 -0.0041  0.4695 -0.0418 -0.0119
  o =  0.5751  v = -0.1711  0.0246  0.5513  0.0203  0.0009 -0.1148 -0.2231 -0.0172 -0.5065  0.0859      0.0000  0.0488 -0.1568 -0.0698  0.1609 -0.0856 -0.5056 -0.0249  0.0643 -0.1148
  o =  0.5761  v =  0.6256  0.0123  0.1826  0.0163  0.0003  0.1204  0.2201  0.0403 -0.1599 -0.0391      0.0000 -0.0564 -0.0592  0.1182 -0.5586  0.0430 -0.1598  0.0724  0.3246  0.1117
  o =  0.5792  v = -0.1794 -0.2359  0.0865 -0.1005 -0.0000  0.6263 -0.1107  0.0048 -0.0682 -0.2326      0.0000 -0.1046 -0.0581  0.2177  0.1416  0.2836 -0.0688 -0.0100 -0.0188  0.5137
  o =  0.6203  v = -0.1358 -0.3333 -0.0011 -0.1843  0.0001 -0.0201  0.0426  0.3996 -0.0027 -0.0089      0.0000  0.1757 -0.0020 -0.3223 -0.0896 -0.0183 -0.0024  0.7278  0.0391  0.0115
  o =  0.6231  v = -0.3203 -0.0239  0.6384 -0.0156  0.0010 -0.1666  0.2483 -0.0290  0.3454 -0.0748      0.0000 -0.0502 -0.2441  0.0872 -0.2346 -0.0993  0.3464 -0.0577 -0.0171  0.1249
  o =  0.6237  v =  0.6235 -0.0200  0.3493 -0.0194  0.0005  0.1048 -0.1525  0.0618  0.1963  0.0265      0.0000  0.0474 -0.1434 -0.0959  0.4740  0.0371  0.1969  0.1053 -0.3118 -0.0772
  o =  0.6269  v =  0.1746 -0.2460 -0.1013 -0.1102 -0.0000 -0.6002 -0.1123  0.0003 -0.0648 -0.2445      0.0000 -0.1129  0.0615  0.2302  0.1536 -0.2814 -0.0652  0.0129 -0.0322  0.5216
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059  0.0001 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0198
  0.0001  0.5519 -0.0000  0.0000 -0.0001     -0.0000 -0.0000  0.0000  0.0418  0.0008
 -0.0000 -0.0000  0.6078 -0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0000  0.5516  0.0002     -0.0000 -0.0418  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0000  0.0002  0.5579     -0.0198 -0.0008 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
 -0.0097 -0.0023 -0.0000  0.0001 -0.0003     -0.0000  0.0002 -0.0165  0.0002 -0.0433
  0.0000  0.0000 -0.0001 -0.0168 -0.0001      0.0000  0.0168  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0165 -0.0019 -0.0435      0.0097  0.0002  0.0000  0.0002 -0.0003
 -0.0000  0.0002 -0.0000  0.0422 -0.0025      0.0001  0.0426 -0.0000  0.0002  0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0023  0.0000  0.0000  0.0002     -0.0000 -0.0002 -0.0168 -0.0002 -0.0426
 -0.0000 -0.0000 -0.0001  0.0165 -0.0000     -0.0000  0.0165 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0168 -0.0019  0.0422      0.0097 -0.0002  0.0000 -0.0002 -0.0002
  0.0000 -0.0003 -0.0001 -0.0435 -0.0025     -0.0000  0.0433 -0.0000  0.0003 -0.0001
 
spin component  4
 
  0.6054 -0.0000 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0196
 -0.0000  0.5435 -0.0000  0.0002  0.0001      0.0000  0.0000  0.0000 -0.0392  0.0007
 -0.0000 -0.0000  0.6074  0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0002  0.0001  0.5436 -0.0003     -0.0000  0.0392  0.0000  0.0000  0.0001
  0.0000  0.0001 -0.0000 -0.0003  0.5499      0.0196 -0.0007 -0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4639  v = -0.0045 -0.1608  0.0001 -0.0078 -0.0073 -0.0018 -0.5707 -0.0002 -0.0083  0.0075      0.0000 -0.0060 -0.0004  0.1453 -0.5277 -0.0001  0.0068 -0.0017 -0.5669 -0.1645
  o =  0.4669  v =  0.0024 -0.5475  0.0004 -0.0599 -0.0074 -0.0019  0.1556  0.0001 -0.0092  0.0602      0.0000 -0.0589 -0.0018  0.5514  0.1432 -0.0002  0.0064  0.0004  0.1710 -0.5580
  o =  0.5685  v = -0.0265 -0.0538 -0.3060  0.0471  0.0009  0.0797 -0.4869  0.0011  0.3620  0.0993      0.0000  0.0419 -0.3961  0.0401  0.0341 -0.0756  0.3643 -0.0072  0.4532  0.1043
  o =  0.5743  v =  0.2226  0.3918  0.0016 -0.0414  0.0011 -0.5415  0.0003 -0.0363 -0.0008 -0.0118      0.0000  0.0294 -0.1154 -0.1975 -0.2467  0.0114 -0.0021  0.0974  0.2323 -0.5683
  o =  0.5754  v = -0.1741 -0.4200  0.0004 -0.1697  0.0016 -0.1614 -0.1010 -0.1404  0.0001 -0.0714      0.0000  0.0971 -0.0246 -0.5856  0.1916  0.0695 -0.0027 -0.5282 -0.0565 -0.1632
  o =  0.5783  v =  0.5830 -0.2826 -0.0201 -0.0325 -0.0002  0.2001  0.2715 -0.0308  0.0183 -0.0125      0.0000  0.0209  0.0166 -0.1036 -0.5565  0.0132  0.0180 -0.2247  0.2407  0.1830
  o =  0.6216  v = -0.0498  0.0632 -0.2593 -0.0268  0.0001  0.1940  0.3431  0.0017 -0.1086 -0.0556      0.0000 -0.0266 -0.7861 -0.0410 -0.0262 -0.0976 -0.1088 -0.0203 -0.3172 -0.1091
  o =  0.6239  v = -0.2738  0.2712 -0.0280 -0.0047  0.0005  0.7081 -0.0239  0.0184 -0.0129  0.0079      0.0000  0.0130  0.2176 -0.1811 -0.1692  0.0123 -0.0130 -0.0915  0.1866 -0.4423
  o =  0.6250  v =  0.2595 -0.3216 -0.0143 -0.0584  0.0009  0.1783 -0.0887  0.0938 -0.0070 -0.0197      0.0000  0.0391  0.0171 -0.4407  0.1761 -0.0289 -0.0071  0.7282 -0.0665 -0.1189
  o =  0.6271  v =  0.6593  0.2494 -0.0206  0.0190  0.0001  0.2051 -0.2399 -0.0266 -0.0121  0.0068      0.0000 -0.0129  0.0261  0.0994  0.4818  0.0089 -0.0121 -0.3001 -0.2127 -0.1530
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057  0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5470 -0.0000  0.0001  0.0000      0.0000 -0.0000  0.0000  0.0399  0.0009
 -0.0000 -0.0000  0.6076 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000  0.0001 -0.0000  0.5471  0.0003     -0.0000 -0.0399 -0.0000 -0.0000  0.0003
 -0.0000  0.0000 -0.0000  0.0003  0.5534     -0.0197 -0.0009  0.0000 -0.0003  0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0029 -0.0000 -0.0002 -0.0002     -0.0000  0.0006 -0.0167  0.0003 -0.0426
 -0.0000  0.0000 -0.0002 -0.0166 -0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000 -0.0001  0.0167 -0.0022 -0.0424      0.0097  0.0002  0.0000  0.0008 -0.0002
  0.0000  0.0002 -0.0001  0.0428 -0.0031      0.0001  0.0426 -0.0000  0.0002  0.0010
 
spin component  3
 
 -0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0029  0.0000 -0.0001  0.0002     -0.0000 -0.0006 -0.0166 -0.0002 -0.0426
 -0.0000 -0.0000 -0.0002  0.0167 -0.0001     -0.0000  0.0167 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002 -0.0166 -0.0022  0.0428      0.0097 -0.0003  0.0000 -0.0008 -0.0002
  0.0000 -0.0002 -0.0000 -0.0424 -0.0031     -0.0001  0.0426  0.0000  0.0002 -0.0010
 
spin component  4
 
  0.6058 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0197
 -0.0001  0.5479  0.0000  0.0001 -0.0000     -0.0000  0.0000  0.0000 -0.0405  0.0009
 -0.0000  0.0000  0.6077  0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0000  0.5478 -0.0001     -0.0000  0.0405 -0.0000  0.0000  0.0002
 -0.0000 -0.0000  0.0000 -0.0001  0.5540      0.0197 -0.0009  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4649  v =  0.0002 -0.4350  0.0002  0.0452 -0.1516  0.0004 -0.3619 -0.0010 -0.1547 -0.0487      0.0000  0.0547 -0.0017  0.4250 -0.3517 -0.0001  0.1518 -0.0011 -0.3463 -0.4222
  o =  0.4668  v = -0.0019  0.3721 -0.0008  0.0939 -0.0189 -0.0019 -0.4301 -0.0005 -0.0163 -0.0911      0.0000  0.0981  0.0013 -0.3867 -0.4170 -0.0005  0.0226 -0.0016 -0.4420  0.3603
  o =  0.5711  v = -0.1862 -0.5869 -0.0156 -0.0877 -0.0010  0.0943 -0.2180 -0.0861  0.0150  0.0174      0.0000  0.1028 -0.1077 -0.4761  0.2293 -0.0152  0.0171 -0.4831  0.0143  0.1144
  o =  0.5721  v = -0.0219  0.0015  0.5036 -0.2410  0.0022  0.0521 -0.0382 -0.1376 -0.5340 -0.2104      0.0000  0.0581 -0.0227  0.0558  0.0268  0.1742 -0.5407  0.0277  0.0113  0.0628
  o =  0.5746  v = -0.4179 -0.0094 -0.0941 -0.0612  0.0002  0.3305 -0.0813  0.0193  0.0933 -0.1616      0.0000 -0.0989  0.1442  0.3447  0.4435  0.1523  0.0918  0.1701 -0.3627  0.3514
  o =  0.5777  v =  0.4244 -0.2774 -0.0800 -0.1149  0.0002  0.4349  0.2814 -0.0381  0.0717 -0.1682      0.0000 -0.0469  0.0974  0.1211 -0.4061  0.1753  0.0709 -0.0872  0.1076  0.4171
  o =  0.6226  v = -0.3267  0.3663 -0.0222  0.0526  0.0009  0.2172  0.2150 -0.1203 -0.0112 -0.0041      0.0000 -0.0554 -0.2696  0.2445 -0.1925 -0.0058 -0.0117 -0.6768 -0.0338 -0.1259
  o =  0.6232  v = -0.0816  0.0133  0.6245  0.2407 -0.0029 -0.0335 -0.1160 -0.3478  0.2893  0.1753      0.0000 -0.0790  0.2976  0.0319 -0.0501  0.2857  0.2922 -0.0527  0.1630  0.0212
  o =  0.6243  v =  0.5230  0.0222  0.1863 -0.0115  0.0002 -0.3856 -0.0346 -0.0785  0.0921 -0.0985      0.0000 -0.0869 -0.2605  0.2654  0.3312 -0.1572  0.0921 -0.2870 -0.2961  0.2412
  o =  0.6265  v = -0.4724 -0.2423  0.1078 -0.0944  0.0005 -0.5126  0.2470  0.0454  0.0604 -0.1413      0.0000 -0.0424 -0.1499  0.1098 -0.3389 -0.1987  0.0605  0.1198  0.0803  0.3647
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6019 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0195
 -0.0002  0.5488  0.0000 -0.0002  0.0000     -0.0000 -0.0000 -0.0001  0.0392 -0.0023
 -0.0001  0.0000  0.6051  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0001  0.5487 -0.0003      0.0000 -0.0392  0.0000  0.0000 -0.0003
 -0.0000  0.0000  0.0000 -0.0003  0.5591     -0.0195  0.0023 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0002  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0002
 -0.0096  0.0056 -0.0000  0.0001 -0.0000     -0.0000 -0.0006 -0.0165 -0.0005 -0.0422
  0.0000  0.0000  0.0003 -0.0164  0.0001     -0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0043 -0.0423      0.0096 -0.0006  0.0000 -0.0008 -0.0000
 -0.0000 -0.0001  0.0001  0.0429  0.0067     -0.0002  0.0431  0.0000 -0.0001 -0.0010
 
spin component  3
 
  0.0002 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0002
  0.0096  0.0056  0.0000  0.0001 -0.0001     -0.0000  0.0006 -0.0164  0.0006 -0.0431
  0.0000 -0.0000  0.0003  0.0165  0.0001      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0164  0.0043  0.0429      0.0096  0.0005  0.0000  0.0008  0.0001
 -0.0000 -0.0000  0.0001 -0.0423  0.0067      0.0002  0.0422 -0.0000  0.0000  0.0010
 
spin component  4
 
  0.6022  0.0002 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0196
  0.0002  0.5529 -0.0000 -0.0002  0.0000      0.0000  0.0000 -0.0001 -0.0409 -0.0021
 -0.0001 -0.0000  0.6053 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5531  0.0003      0.0000  0.0409  0.0000 -0.0000 -0.0003
 -0.0000  0.0000 -0.0000  0.0003  0.5641      0.0196  0.0021  0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v =  0.0007  0.4904  0.0009  0.0644 -0.0100 -0.0034 -0.3436  0.0005 -0.0145 -0.0575      0.0000  0.0595 -0.0034 -0.4689 -0.3311 -0.0005  0.0058  0.0025 -0.3141  0.4492
  o =  0.4724  v = -0.0034 -0.3259 -0.0005 -0.0406 -0.0151  0.0062 -0.4720  0.0007 -0.0137  0.0379      0.0000 -0.0454  0.0025  0.3581 -0.4540  0.0007  0.0180  0.0037 -0.4934 -0.2952
  o =  0.5705  v = -0.2647  0.5664  0.0103  0.0824  0.0008 -0.1174 -0.2072  0.0665 -0.0136  0.0245      0.0000 -0.0604 -0.0766  0.4388  0.3054 -0.0189 -0.0134  0.4724 -0.0532 -0.1356
  o =  0.5740  v =  0.1594  0.0709 -0.1240  0.0033 -0.0025  0.3123  0.4951  0.0265  0.1173 -0.0456      0.0000 -0.0411  0.4312  0.3387 -0.1497  0.0451  0.1170  0.2120 -0.3231  0.3244
  o =  0.5768  v = -0.4527 -0.0702 -0.1023 -0.0145 -0.0024 -0.2190  0.1114 -0.0348  0.0871  0.0293      0.0000  0.0466  0.3637 -0.2772  0.3917 -0.0353  0.0858 -0.2057 -0.5078 -0.1895
  o =  0.5814  v =  0.4227  0.2608 -0.0523  0.0361 -0.0012 -0.5848  0.2613  0.0069  0.0388  0.0660      0.0000  0.0230  0.1760 -0.1186 -0.2980 -0.0907  0.0377  0.0964  0.0111 -0.4239
  o =  0.6202  v = -0.3933 -0.3698  0.0229 -0.0460  0.0005 -0.2216  0.2034  0.0819  0.0082 -0.0194      0.0000  0.0275 -0.1712 -0.2388 -0.2551 -0.0338  0.0087  0.6592  0.0319  0.1389
  o =  0.6224  v = -0.1566  0.0873  0.2292 -0.0293  0.0000 -0.3477  0.3313  0.0112  0.1193 -0.0618      0.0000 -0.0245 -0.5241  0.3099 -0.1024 -0.0829  0.1224 -0.3895 -0.2149  0.2529
  o =  0.6244  v =  0.4584 -0.0626  0.1306 -0.0226  0.0006  0.2324  0.0932  0.0579  0.0755  0.0165      0.0000  0.0416 -0.4589 -0.2432  0.3512  0.0225  0.0774  0.2585 -0.4463 -0.1703
  o =  0.6300  v = -0.3627  0.2976  0.0459  0.0360  0.0003  0.4989  0.2922 -0.0059  0.0330  0.0706      0.0000  0.0285 -0.1714 -0.1502 -0.3565  0.0729  0.0334 -0.1026  0.0417 -0.4873
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6019 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0195
 -0.0001  0.5484 -0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0000  0.0393 -0.0006
 -0.0001 -0.0000  0.6051  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5487 -0.0002      0.0000 -0.0393 -0.0000  0.0000 -0.0002
 -0.0000  0.0001  0.0000 -0.0002  0.5587     -0.0195  0.0006 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0001  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
 -0.0096  0.0019 -0.0000 -0.0000 -0.0000     -0.0000 -0.0004 -0.0165 -0.0003 -0.0424
  0.0000  0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0165  0.0015 -0.0421      0.0096 -0.0001  0.0000 -0.0005 -0.0000
 -0.0000 -0.0001  0.0000  0.0433  0.0021     -0.0001  0.0430  0.0000 -0.0001 -0.0005
 
spin component  3
 
  0.0001 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
  0.0097  0.0019  0.0000  0.0000 -0.0001     -0.0000  0.0004 -0.0164  0.0001 -0.0430
  0.0000 -0.0000  0.0001  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0164  0.0015  0.0433      0.0097  0.0003  0.0000  0.0005  0.0001
 -0.0000 -0.0000  0.0000 -0.0421  0.0021      0.0001  0.0424 -0.0000  0.0000  0.0005
 
spin component  4
 
  0.6022  0.0000 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0196
  0.0000  0.5533 -0.0000 -0.0002 -0.0002     -0.0000  0.0000 -0.0000 -0.0409 -0.0009
 -0.0001 -0.0000  0.6053 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5530  0.0003      0.0000  0.0409 -0.0000 -0.0000 -0.0002
  0.0000 -0.0002  0.0000  0.0003  0.5646      0.0196  0.0009  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4697  v = -0.0004 -0.5309 -0.0009 -0.1795 -0.0129  0.0056  0.2035 -0.0002 -0.0089  0.1631      0.0000 -0.1775  0.0011  0.5259  0.1986  0.0019  0.0166 -0.0005  0.1932 -0.4822
  o =  0.4716  v =  0.0021  0.1932  0.0002  0.0544 -0.0051 -0.0030  0.5468 -0.0003 -0.0057 -0.0486      0.0000  0.0566 -0.0005 -0.2049  0.5279 -0.0009  0.0051 -0.0014  0.5509  0.1756
  o =  0.5717  v =  0.1002 -0.5586  0.0029 -0.1775 -0.0003  0.0227  0.0470 -0.1713 -0.0020 -0.0042      0.0000  0.1747  0.0018 -0.5345 -0.1115  0.0005 -0.0014 -0.5318  0.0465  0.0257
  o =  0.5754  v = -0.0470  0.0417  0.4874  0.0404  0.0022 -0.1309 -0.3328 -0.0005 -0.4387  0.0953      0.0000  0.0368 -0.3449 -0.0638  0.0460 -0.0968 -0.4383 -0.0120  0.2879 -0.1285
  o =  0.5767  v = -0.6401 -0.0041 -0.0611 -0.0142 -0.0004 -0.1932 -0.2126 -0.0324  0.0499  0.0266      0.0000  0.0410  0.0684 -0.1690  0.5589 -0.0305  0.0502 -0.0999 -0.3300 -0.1730
  o =  0.5796  v = -0.2311 -0.2439  0.0627 -0.0485  0.0005  0.6617 -0.1826 -0.0029 -0.0487 -0.0981      0.0000 -0.0391 -0.1306  0.2278  0.1780  0.1231 -0.0494 -0.0092  0.0177  0.5267
  o =  0.6212  v = -0.1526 -0.3859 -0.0052 -0.1180 -0.0002 -0.0398  0.0559  0.2408 -0.0042 -0.0032      0.0000  0.1154 -0.0117 -0.3618 -0.1061 -0.0082 -0.0039  0.7702  0.0407  0.0254
  o =  0.6234  v =  0.0843  0.0285 -0.6601  0.0427 -0.0009  0.1367 -0.2362 -0.0113 -0.3652  0.0895      0.0000  0.0348  0.3717 -0.0629  0.0610  0.1171 -0.3672  0.0320  0.1766 -0.1039
  o =  0.6243  v = -0.6685  0.0083 -0.0993  0.0176 -0.0001 -0.2081  0.1975 -0.0488 -0.0589 -0.0210      0.0000 -0.0391  0.0963  0.1614 -0.5197 -0.0279 -0.0595 -0.1472  0.3100  0.1589
  o =  0.6275  v = -0.2175  0.2642  0.0623  0.0488  0.0000  0.6244  0.1806 -0.0035  0.0410  0.1040      0.0000  0.0469 -0.1307 -0.2469 -0.1950  0.1169  0.0421 -0.0142  0.0038 -0.5547
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053 -0.0000 -0.0001  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5460 -0.0000 -0.0002 -0.0001      0.0000  0.0000 -0.0000  0.0419 -0.0004
 -0.0001 -0.0000  0.6075  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5461 -0.0001      0.0000 -0.0419 -0.0000  0.0000  0.0004
 -0.0000 -0.0001  0.0000 -0.0001  0.5524     -0.0199  0.0004 -0.0000 -0.0004  0.0000
 
spin component  2
 
  0.0000  0.0099 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0099 -0.0000
 -0.0099  0.0011 -0.0000 -0.0000  0.0002     -0.0000  0.0009 -0.0169 -0.0001 -0.0446
 -0.0000  0.0000  0.0001 -0.0167 -0.0000     -0.0000  0.0167  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0169  0.0008 -0.0448      0.0099 -0.0001  0.0000  0.0010  0.0001
  0.0000 -0.0001 -0.0000  0.0455  0.0011     -0.0000  0.0454 -0.0000 -0.0001  0.0011
 
spin component  3
 
  0.0000 -0.0099 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0099  0.0000
  0.0099  0.0011  0.0000 -0.0000 -0.0001     -0.0000 -0.0009 -0.0167  0.0001 -0.0454
 -0.0000 -0.0000  0.0001  0.0169 -0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0167  0.0008  0.0455      0.0099  0.0001  0.0000 -0.0010  0.0001
  0.0000  0.0002 -0.0000 -0.0448  0.0011      0.0000  0.0446  0.0000 -0.0001 -0.0011
 
spin component  4
 
  0.6057  0.0000 -0.0001 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0200
  0.0000  0.5536  0.0000 -0.0002  0.0001      0.0000 -0.0000 -0.0000 -0.0444 -0.0004
 -0.0001  0.0000  0.6079 -0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5537  0.0000      0.0000  0.0444 -0.0000 -0.0000  0.0004
  0.0000  0.0001  0.0000  0.0000  0.5603      0.0200  0.0004  0.0000 -0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4620  v =  0.0008  0.3452 -0.0008 -0.4697 -0.0191 -0.0029 -0.0967 -0.0000 -0.0142  0.4344      0.0000 -0.4694  0.0002 -0.3446 -0.1030  0.0040  0.0230  0.0001 -0.0981  0.3190
  o =  0.4640  v = -0.0014  0.0717 -0.0002 -0.0701  0.0119 -0.0010  0.5659  0.0007  0.0130  0.0642      0.0000 -0.0767 -0.0000 -0.0788  0.5725  0.0011 -0.0105 -0.0007  0.5664  0.0665
  o =  0.5721  v = -0.0873  0.4163  0.0066 -0.4086  0.0001 -0.0062 -0.0497 -0.3845 -0.0062  0.0080      0.0000  0.4143 -0.0032  0.4104  0.1019 -0.0056 -0.0062  0.3862 -0.0430 -0.0050
  o =  0.5768  v =  0.6170  0.0007  0.0301 -0.0031  0.0000  0.1243  0.3366 -0.0596 -0.0249  0.1092      0.0000  0.1069  0.0412  0.1175 -0.5876 -0.1087 -0.0249  0.0632  0.2631  0.1253
  o =  0.5781  v = -0.0940 -0.0933  0.5329  0.0349 -0.0011  0.2094  0.1761  0.0174 -0.4629  0.0458      0.0000  0.0035  0.2531  0.0832  0.0880 -0.0470 -0.4631 -0.0059 -0.2631  0.2027
  o =  0.5800  v =  0.1596  0.1808  0.2273 -0.2005  0.0001 -0.4290  0.0476 -0.0205 -0.1833 -0.4029      0.0000 -0.1693 -0.0218 -0.1670 -0.1329  0.4562 -0.1836  0.0113  0.0827 -0.3792
  o =  0.6235  v =  0.1461  0.2651 -0.0192 -0.2794 -0.0000  0.0065 -0.0454  0.5977 -0.0108 -0.0002      0.0000  0.2784  0.0035  0.2591  0.0918  0.0016 -0.0105 -0.5617 -0.0422 -0.0054
  o =  0.6260  v =  0.7210 -0.0047  0.0383  0.0094 -0.0001  0.1471 -0.2659 -0.1017  0.0234 -0.0931      0.0000 -0.0988  0.0253 -0.1007  0.4996 -0.1368  0.0231  0.0984 -0.2399 -0.1007
  o =  0.6270  v = -0.0948  0.0750  0.7171 -0.0504 -0.0005  0.1962 -0.0560  0.0309  0.4131 -0.0763      0.0000 -0.0176  0.1555 -0.0565 -0.0678 -0.1021  0.4124 -0.0178  0.1231 -0.1457
  o =  0.6288  v =  0.1648 -0.1823  0.2367  0.1883 -0.0003 -0.4700 -0.0556 -0.0182  0.1487  0.3741      0.0000  0.1623 -0.0152  0.1659  0.1324  0.4735  0.1487  0.0110 -0.0748  0.3717
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6044  0.0001 -0.0001 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0193
  0.0001  0.5404 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0349  0.0014
 -0.0001 -0.0000  0.6068 -0.0000  0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5409  0.0003     -0.0000 -0.0349  0.0000  0.0000 -0.0001
  0.0000 -0.0000  0.0000  0.0003  0.5485     -0.0193 -0.0014 -0.0000  0.0001 -0.0000
 
spin component  2
 
 -0.0001  0.0096  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0026 -0.0000 -0.0001  0.0002     -0.0000 -0.0000 -0.0166  0.0003 -0.0388
  0.0000  0.0000 -0.0002 -0.0162 -0.0000      0.0000  0.0162 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0166 -0.0023 -0.0385      0.0096  0.0003  0.0000 -0.0001  0.0002
 -0.0000 -0.0000 -0.0000  0.0400 -0.0029      0.0001  0.0401  0.0000 -0.0000 -0.0000
 
spin component  3
 
 -0.0001 -0.0096  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0026  0.0000 -0.0001 -0.0000     -0.0000  0.0000 -0.0162 -0.0003 -0.0401
  0.0000 -0.0000 -0.0002  0.0166 -0.0000     -0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0162 -0.0023  0.0400      0.0096 -0.0003  0.0000  0.0001  0.0000
 -0.0000  0.0002 -0.0000 -0.0385 -0.0029     -0.0001  0.0388 -0.0000 -0.0002  0.0000
 
spin component  4
 
  0.6053 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0195
 -0.0001  0.5543  0.0000 -0.0003  0.0000      0.0000  0.0000  0.0000 -0.0415  0.0015
 -0.0001  0.0000  0.6075  0.0000  0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0003  0.0000  0.5545 -0.0003     -0.0000  0.0415  0.0000 -0.0000 -0.0001
  0.0000  0.0000  0.0000 -0.0003  0.5624      0.0195 -0.0015  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4706  v =  0.0015 -0.5943  0.0000 -0.0192 -0.0142  0.0092 -0.1106 -0.0002 -0.0141  0.0156      0.0000 -0.0175 -0.0018  0.5878 -0.1126  0.0004  0.0135 -0.0006 -0.0936 -0.5158
  o =  0.4733  v = -0.0027 -0.1037 -0.0000 -0.0204 -0.0106  0.0030  0.5619 -0.0001 -0.0101  0.0173      0.0000 -0.0198 -0.0002  0.1207  0.5765  0.0004  0.0111  0.0018  0.5633 -0.0887
  o =  0.5632  v = -0.1028 -0.6236  0.0029  0.0130  0.0001  0.0148 -0.0674  0.0097 -0.0047 -0.0026      0.0000 -0.0136 -0.0006 -0.6042  0.1539 -0.0004 -0.0043 -0.4483 -0.0708  0.0241
  o =  0.5712  v =  0.5416 -0.0394 -0.0100  0.0025 -0.0003 -0.1520  0.3566  0.0015  0.0136  0.0000      0.0000 -0.0023  0.0326 -0.2100 -0.6157 -0.0006  0.0134 -0.1119  0.2861 -0.1891
  o =  0.5762  v =  0.1423 -0.1828  0.0188 -0.0154  0.0025  0.3853 -0.3574  0.0045 -0.0174 -0.0431      0.0000 -0.0207 -0.4595  0.1527 -0.1364  0.0408 -0.0166 -0.0187  0.4930  0.4105
  o =  0.5788  v =  0.1191 -0.2100  0.0655  0.0207 -0.0026  0.4926  0.3961  0.0014 -0.0544  0.0495      0.0000  0.0230  0.4127  0.1966 -0.1034 -0.0528 -0.0551 -0.0061 -0.2987  0.4656
  o =  0.6192  v = -0.2972  0.3119  0.0079 -0.0197 -0.0002  0.0539  0.0839  0.0488  0.0029 -0.0034      0.0000  0.0162 -0.0110  0.2882 -0.1548 -0.0014  0.0022 -0.8300  0.0673 -0.0261
  o =  0.6212  v =  0.7342  0.0765 -0.0100 -0.0071 -0.0001 -0.2012 -0.2291  0.0193 -0.0015  0.0006      0.0000  0.0073  0.0298  0.1804  0.4237  0.0029 -0.0018 -0.3060 -0.2067  0.1104
  o =  0.6246  v = -0.1430 -0.1565  0.0126 -0.0031 -0.0020 -0.4884 -0.2714 -0.0023  0.0078 -0.0120      0.0000 -0.0077  0.5985  0.1389 -0.1017 -0.0173  0.0049  0.0120  0.3720  0.3402
  o =  0.6266  v = -0.1178 -0.1953 -0.0574  0.0116  0.0014 -0.5455  0.3428  0.0051 -0.0357  0.0271      0.0000  0.0135 -0.4999  0.1781 -0.0937  0.0358 -0.0331  0.0199 -0.2531  0.4124
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5514  0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0000  0.0419 -0.0001
 -0.0001  0.0000  0.6079 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0003 -0.0000  0.5514 -0.0000      0.0000 -0.0419 -0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000 -0.0000  0.5592     -0.0196  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0097 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0096  0.0003 -0.0000  0.0000  0.0001     -0.0000 -0.0002 -0.0165  0.0000 -0.0419
 -0.0000  0.0000  0.0000 -0.0166  0.0000     -0.0000  0.0166  0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0003 -0.0420      0.0097 -0.0000  0.0000 -0.0002  0.0001
 -0.0000 -0.0001  0.0000  0.0416  0.0003     -0.0000  0.0416  0.0000 -0.0001 -0.0003
 
spin component  3
 
  0.0000 -0.0096 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0003  0.0000  0.0001 -0.0001     -0.0000  0.0002 -0.0166  0.0000 -0.0416
 -0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0166  0.0003  0.0416      0.0097 -0.0000  0.0000  0.0002  0.0001
 -0.0000  0.0001  0.0000 -0.0420  0.0003      0.0000  0.0419 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6053 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0195
 -0.0000  0.5455 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0000 -0.0399 -0.0001
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5456  0.0000      0.0000  0.0399 -0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0000  0.5531      0.0195  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4674  v = -0.0060  0.0232  0.0002  0.0352  0.0042  0.0000 -0.5929  0.0002  0.0036 -0.0348      0.0000  0.0339 -0.0000 -0.0207 -0.5402  0.0000 -0.0054  0.0002 -0.5929  0.0226
  o =  0.4686  v =  0.0006  0.3751  0.0003  0.4420  0.0050 -0.0003  0.0421  0.0001  0.0040 -0.4345      0.0000  0.4411 -0.0001 -0.3738  0.0375 -0.0003 -0.0066  0.0001  0.0426  0.3684
  o =  0.5708  v = -0.0080  0.0177  0.4327  0.0067  0.0018 -0.0241 -0.3521  0.0010 -0.4872  0.0118      0.0000  0.0036 -0.3085 -0.0088  0.0124 -0.0096 -0.4866  0.0042  0.3423 -0.0298
  o =  0.5751  v =  0.0557 -0.2647  0.0273 -0.3023  0.0001  0.4081  0.0225 -0.0716 -0.0266 -0.4697      0.0000 -0.1596 -0.0051  0.1520 -0.0605  0.4521 -0.0262 -0.0560  0.0331  0.4238
  o =  0.5759  v = -0.0596  0.4869 -0.0002  0.1909 -0.0002  0.0315 -0.0224  0.2526 -0.0004 -0.0992      0.0000 -0.2900  0.0047  0.5180  0.0637  0.1007 -0.0002  0.5284 -0.0320  0.0307
  o =  0.5774  v =  0.6394  0.0694  0.0075  0.0446  0.0002 -0.0369  0.2839  0.0322 -0.0048  0.0327      0.0000 -0.0135 -0.0038  0.0357 -0.6387 -0.0341 -0.0048  0.0578  0.2916 -0.0356
  o =  0.6226  v = -0.0149 -0.0208  0.7360 -0.0055  0.0012 -0.0473  0.1871 -0.0041  0.3262 -0.0173      0.0000 -0.0109 -0.4141  0.0058 -0.0073 -0.0283  0.3277  0.0153 -0.1809  0.0282
  o =  0.6241  v =  0.0558  0.1880  0.0539  0.1997 -0.0001  0.5508 -0.0089 -0.0499  0.0267  0.3573      0.0000  0.1524 -0.0166 -0.1642  0.0350  0.5504  0.0265 -0.0265 -0.0246 -0.3574
  o =  0.6250  v =  0.1107  0.3722  0.0025  0.1557  0.0003 -0.0126 -0.0263 -0.3342  0.0014 -0.0395      0.0000 -0.1954 -0.0176  0.3821  0.0759 -0.0552  0.0019 -0.7182 -0.0424  0.0097
  o =  0.6259  v =  0.7542 -0.0697  0.0064 -0.0381 -0.0001 -0.0364 -0.2444  0.0506  0.0051 -0.0217      0.0000  0.0175 -0.0037 -0.0444  0.5328 -0.0298  0.0050  0.1045 -0.2489  0.0264
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0198
 -0.0000  0.5534  0.0000 -0.0003  0.0001     -0.0000  0.0000 -0.0000  0.0438 -0.0002
 -0.0001  0.0000  0.6081  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5533 -0.0000     -0.0000 -0.0438  0.0000  0.0000 -0.0002
  0.0000  0.0001 -0.0000 -0.0000  0.5606     -0.0198  0.0002 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097 -0.0000
 -0.0097  0.0006 -0.0000 -0.0000  0.0001     -0.0000 -0.0005 -0.0166 -0.0000 -0.0423
  0.0000  0.0000  0.0000 -0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0166  0.0004 -0.0423      0.0097  0.0000  0.0000 -0.0006  0.0001
 -0.0000 -0.0001  0.0000  0.0419  0.0005     -0.0000  0.0416  0.0000 -0.0001 -0.0005
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097  0.0000
  0.0097  0.0006  0.0000 -0.0000 -0.0001     -0.0000  0.0005 -0.0168 -0.0000 -0.0416
  0.0000 -0.0000  0.0000  0.0166  0.0000     -0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0168  0.0004  0.0419      0.0097  0.0000  0.0000  0.0006  0.0001
 -0.0000  0.0001  0.0000 -0.0423  0.0005      0.0000  0.0423 -0.0000 -0.0001  0.0005
 
spin component  4
 
  0.6053  0.0000 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0196
  0.0000  0.5445 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000 -0.0404 -0.0002
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5444  0.0000     -0.0000  0.0404  0.0000 -0.0000 -0.0002
  0.0000 -0.0001 -0.0000  0.0000  0.5512      0.0196  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4661  v = -0.0074  0.0392  0.0002  0.0245 -0.0025  0.0003 -0.5959  0.0004 -0.0038 -0.0242      0.0000  0.0206  0.0000 -0.0358 -0.5323  0.0002  0.0015  0.0004 -0.5963  0.0389
  o =  0.4678  v =  0.0009  0.4584  0.0006  0.3487 -0.0043  0.0005  0.0462  0.0002 -0.0070 -0.3478      0.0000  0.3468 -0.0001 -0.4587  0.0391  0.0003  0.0018 -0.0000  0.0470  0.4589
  o =  0.5703  v = -0.0084  0.0027  0.4314  0.0293 -0.0017 -0.0126  0.3349 -0.0011 -0.4915  0.0668      0.0000  0.0317  0.2980 -0.0118  0.0130 -0.0538 -0.4924 -0.0047 -0.3447 -0.0156
  o =  0.5744  v =  0.0690 -0.2668  0.0571 -0.2127 -0.0002  0.4629  0.0335 -0.0050 -0.0570 -0.4100      0.0000 -0.1988 -0.0017  0.2218 -0.0765  0.3896 -0.0577 -0.0212  0.0366  0.4871
  o =  0.5776  v = -0.5294  0.1758  0.0005  0.2196  0.0002  0.0627 -0.2360  0.2671 -0.0029 -0.0389      0.0000 -0.2579 -0.0047  0.2321  0.5286  0.0432 -0.0030  0.2280 -0.2260  0.0576
  o =  0.5783  v = -0.3730 -0.3004 -0.0077 -0.3537  0.0004  0.0109 -0.1622 -0.3928  0.0056 -0.0256      0.0000  0.3312 -0.0016 -0.2901  0.3600  0.0254  0.0061 -0.3386 -0.1587  0.0120
  o =  0.6226  v =  0.0172  0.0094 -0.7422  0.0370  0.0020  0.0551  0.1653  0.0038 -0.3259  0.0805      0.0000  0.0411 -0.3849 -0.0230  0.0080  0.1342 -0.3240  0.0116 -0.1720 -0.0332
  o =  0.6238  v = -0.0843 -0.2013 -0.1492 -0.1591  0.0005 -0.5955  0.0242  0.0102 -0.0708 -0.3114      0.0000 -0.1524  0.0010  0.1761 -0.0527 -0.4916 -0.0708  0.0283  0.0254  0.3773
  o =  0.6264  v =  0.6194  0.1312 -0.0127  0.1816  0.0001 -0.0632 -0.2062 -0.3535 -0.0046 -0.0319      0.0000 -0.2132  0.0094  0.1770  0.4446 -0.0426 -0.0047 -0.2760 -0.1967  0.0466
  o =  0.6269  v =  0.4297 -0.2306  0.0119 -0.2966  0.0004 -0.0159 -0.1454  0.5004  0.0065 -0.0208      0.0000  0.2777  0.0010 -0.2210  0.3153 -0.0289  0.0071  0.3933 -0.1439  0.0107
     EDDAV:  cpu time   74.8278: real time   75.5710
       DOS:  cpu time    0.0539: real time    0.0544
    CHARGE:  cpu time    1.1563: real time    1.1669
    MIXING:  cpu time    0.0360: real time    0.0362
    --------------------------------------------
      LOOP:  cpu time   76.9965: real time   77.7588

 eigenvalue-minimisations  : 13424
 total energy-change (2. order) :-0.1189950E-01  (-0.1100828E-01)
 number of electron    1039.9999692 magnetization       0.0396152     -0.0011577     -0.0536242
 augmentation part       28.5071400 magnetization      -0.0059897     -0.0035990     -0.0096328

 Broyden mixing:
  rms(total) = 0.62743E+00    rms(broyden)= 0.62742E+00
  rms(prec ) = 0.67192E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6408
  2.1895  2.1895  0.8250  0.8250  0.7366  0.5509  0.4019  0.4019  0.1907  0.1676
  0.1554  0.0951  0.1185  0.1243

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17411.18543109
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.18744048
  PAW double counting   =     84349.48484728   -83170.21006741
  entropy T*S    EENTRO =        -0.15085820
  eigenvalues    EBANDS =     -6102.92504427
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.27182103 eV

  energy without entropy =    -1066.12096283  energy(sigma->0) =    -1066.22153496


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  20)  ---------------------------------------


    POTLOK:  cpu time    0.4754: real time    0.4800
    SETDIJ:  cpu time    0.4385: real time    0.4410
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053 -0.0001 -0.0000  0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0194
 -0.0001  0.5438 -0.0001  0.0000 -0.0001      0.0000  0.0000 -0.0000  0.0388 -0.0013
 -0.0000 -0.0001  0.6077  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0000  0.0000  0.5449 -0.0000      0.0000 -0.0388 -0.0000  0.0000  0.0012
 -0.0000 -0.0001  0.0001 -0.0000  0.5524     -0.0194  0.0013 -0.0000 -0.0012 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0023 -0.0000 -0.0003  0.0001     -0.0000  0.0020 -0.0170 -0.0003 -0.0420
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0001
 -0.0000 -0.0004  0.0169  0.0017 -0.0412      0.0097 -0.0002  0.0000  0.0024  0.0001
  0.0001  0.0000  0.0000  0.0439  0.0027     -0.0001  0.0436 -0.0001  0.0000  0.0028
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0023 -0.0000 -0.0004  0.0000     -0.0000 -0.0020 -0.0164  0.0002 -0.0436
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0170 -0.0001 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0017  0.0439      0.0097  0.0003  0.0000 -0.0024 -0.0000
  0.0001  0.0001  0.0000 -0.0412  0.0027      0.0001  0.0420  0.0001 -0.0001 -0.0028
 
spin component  4
 
  0.6062  0.0001 -0.0000 -0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0001  0.5612  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0468 -0.0013
 -0.0000  0.0000  0.6084 -0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5612  0.0000      0.0000  0.0468 -0.0000 -0.0000  0.0013
  0.0000  0.0001  0.0001  0.0000  0.5692      0.0198  0.0013  0.0000 -0.0013 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4676  v =  0.0014  0.3930 -0.0020 -0.4495  0.0021 -0.0069 -0.0888 -0.0001  0.0113  0.3877      0.0000 -0.4502  0.0003 -0.3882 -0.1006  0.0078  0.0074  0.0003 -0.0906  0.3366
  o =  0.4716  v = -0.0024  0.0603 -0.0004 -0.0677 -0.0153 -0.0021  0.5660  0.0018 -0.0133  0.0576      0.0000 -0.0839  0.0002 -0.0730  0.5798  0.0023  0.0168 -0.0014  0.5624  0.0505
  o =  0.5688  v = -0.1418  0.4256  0.0017 -0.4280  0.0003 -0.0264 -0.0861 -0.3483  0.0015 -0.0116      0.0000  0.4129 -0.0016  0.3960  0.1853  0.0094  0.0000  0.3407 -0.0828 -0.0364
  o =  0.5757  v = -0.5758 -0.0525 -0.0249  0.0422  0.0002 -0.1141 -0.2863  0.1070  0.0223 -0.1427      0.0000 -0.1676  0.0161 -0.1658  0.5765  0.1281  0.0226 -0.1101 -0.3203 -0.1269
  o =  0.5821  v = -0.1860 -0.1257  0.3951  0.1701 -0.0004  0.3476 -0.0941  0.0247 -0.2989  0.3656      0.0000  0.1269 -0.0321  0.1185  0.1442 -0.4209 -0.2982 -0.0040 -0.0460  0.3019
  o =  0.5848  v = -0.1063 -0.1098 -0.5837  0.0897  0.0005  0.3344 -0.0830  0.0091  0.3940  0.1959      0.0000  0.0814 -0.0724  0.1119  0.0720 -0.2598  0.3934 -0.0028  0.0149  0.2520
  o =  0.6219  v =  0.3033  0.2371  0.0012 -0.2500  0.0002  0.0531 -0.0843  0.5846 -0.0032 -0.0189      0.0000  0.2301 -0.0018  0.2111  0.1754 -0.0370 -0.0033 -0.5470 -0.0867 -0.0293
  o =  0.6245  v = -0.6869  0.0616 -0.0325 -0.0605 -0.0001 -0.1476  0.2149  0.2240 -0.0186  0.1042      0.0000  0.1555  0.0305  0.1476 -0.4467  0.1647 -0.0187 -0.2145  0.2484  0.0926
  o =  0.6301  v = -0.1684  0.1208  0.4620 -0.1698 -0.0001  0.3137  0.1026  0.0312  0.3079 -0.3497      0.0000 -0.1307 -0.0478 -0.1082 -0.1444 -0.4103  0.3068 -0.0130  0.0389 -0.2677
  o =  0.6331  v = -0.1008  0.1448 -0.5202 -0.1085  0.0005  0.3367  0.1131  0.0042 -0.3899 -0.2281      0.0000 -0.0966 -0.0876 -0.1402 -0.0981 -0.2433 -0.3886 -0.0020 -0.0184 -0.3152
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6048  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5467  0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0000  0.0400  0.0015
 -0.0000  0.0000  0.6071 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5464  0.0003     -0.0000 -0.0400 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.0003  0.5540     -0.0196 -0.0015 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000  0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0029  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0169  0.0003 -0.0430
  0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169 -0.0025 -0.0432      0.0097  0.0003  0.0000  0.0001  0.0000
 -0.0000 -0.0001 -0.0000  0.0442 -0.0032      0.0001  0.0444  0.0000 -0.0001 -0.0001
 
spin component  3
 
 -0.0001 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0029  0.0000  0.0000 -0.0001      0.0000 -0.0000 -0.0165 -0.0003 -0.0444
  0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0165 -0.0025  0.0442      0.0097 -0.0003  0.0000 -0.0001  0.0001
  0.0000  0.0000 -0.0000 -0.0432 -0.0032     -0.0001  0.0430 -0.0000 -0.0000  0.0001
 
spin component  4
 
  0.6056 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0199
 -0.0001  0.5592 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0459  0.0015
 -0.0000 -0.0000  0.6078  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0000  0.0000  0.5589 -0.0003     -0.0000  0.0459  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0001 -0.0003  0.5664      0.0199 -0.0015  0.0000  0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4669  v =  0.0015 -0.5828  0.0001 -0.0130  0.0030  0.0073 -0.1392  0.0000  0.0024  0.0117      0.0000 -0.0132 -0.0017  0.5798 -0.1415  0.0001 -0.0028 -0.0005 -0.1233 -0.5187
  o =  0.4694  v = -0.0019 -0.1337  0.0000  0.0022  0.0088  0.0031  0.5555  0.0001  0.0086 -0.0014      0.0000  0.0017 -0.0005  0.1514  0.5666 -0.0000 -0.0086  0.0019  0.5617 -0.1176
  o =  0.5711  v =  0.1493  0.5861  0.0008  0.0099  0.0004 -0.0161  0.0831  0.0073 -0.0012  0.0039      0.0000 -0.0064  0.0036  0.5654 -0.1792 -0.0031 -0.0007  0.5179  0.0804 -0.0196
  o =  0.5770  v =  0.5888 -0.0453  0.0021 -0.0076 -0.0000 -0.2094  0.3369 -0.0038 -0.0011 -0.0093      0.0000 -0.0006  0.0539 -0.2398 -0.5539  0.0092 -0.0014 -0.1540  0.2382 -0.2143
  o =  0.5810  v =  0.2106 -0.2010 -0.0108  0.0078  0.0008  0.4667 -0.2742  0.0021  0.0082  0.0151      0.0000  0.0050 -0.4594  0.1426 -0.1690 -0.0170  0.0093 -0.0386  0.4388  0.4092
  o =  0.5832  v =  0.1252 -0.1863  0.0130  0.0087 -0.0007  0.4907  0.4056  0.0041 -0.0087  0.0142      0.0000  0.0041  0.5130  0.1563 -0.0892 -0.0187 -0.0094 -0.0165 -0.3196  0.3812
  o =  0.6225  v =  0.2599 -0.3700  0.0018 -0.0060 -0.0001 -0.0470 -0.0856  0.0120  0.0012 -0.0015      0.0000  0.0047  0.0103 -0.3434  0.1602 -0.0036  0.0010  0.7979 -0.0685  0.0268
  o =  0.6255  v = -0.6703 -0.0575  0.0014 -0.0054  0.0001  0.2511  0.2774  0.0052  0.0000 -0.0050      0.0000  0.0007 -0.0710 -0.2172 -0.4666 -0.0080  0.0001  0.2602  0.2008 -0.1714
  o =  0.6290  v =  0.1928  0.1750 -0.0061 -0.0035  0.0003  0.4172  0.2866  0.0004 -0.0040 -0.0073      0.0000 -0.0029 -0.5627 -0.1275  0.1599 -0.0087 -0.0038 -0.0325 -0.4433 -0.3460
  o =  0.6315  v = -0.1304 -0.2249 -0.0070  0.0085  0.0005 -0.5067  0.3811 -0.0036 -0.0053  0.0125      0.0000  0.0029 -0.4480  0.1926 -0.1204  0.0140 -0.0048  0.0244 -0.2638  0.4554
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5586 -0.0000  0.0000  0.0001     -0.0000 -0.0000 -0.0000  0.0443 -0.0003
 -0.0000 -0.0000  0.6079  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5586 -0.0001      0.0000 -0.0443  0.0000 -0.0000 -0.0002
  0.0000  0.0001 -0.0000 -0.0001  0.5662     -0.0198  0.0003 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0006 -0.0000 -0.0000  0.0001     -0.0000 -0.0003 -0.0165 -0.0000 -0.0439
  0.0000 -0.0000  0.0000 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0165  0.0004 -0.0438      0.0098 -0.0000  0.0000 -0.0004  0.0001
 -0.0000 -0.0000  0.0000  0.0426  0.0006     -0.0000  0.0425  0.0000 -0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0098  0.0000
  0.0097  0.0006 -0.0000 -0.0000 -0.0000     -0.0000  0.0003 -0.0169  0.0000 -0.0425
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0004  0.0426      0.0097  0.0000  0.0000  0.0004  0.0000
 -0.0000  0.0001  0.0000 -0.0438  0.0006      0.0000  0.0439 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6050  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5462  0.0000 -0.0001 -0.0001     -0.0000  0.0000 -0.0000 -0.0392 -0.0003
 -0.0000  0.0000  0.6073 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5460  0.0001      0.0000  0.0392  0.0000 -0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5543      0.0196  0.0003  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4678  v = -0.0081  0.0221  0.0000  0.0140 -0.0027  0.0003 -0.5976  0.0003 -0.0030 -0.0141      0.0000  0.0117  0.0001 -0.0188 -0.5315  0.0003  0.0029  0.0004 -0.5987  0.0223
  o =  0.4709  v =  0.0007  0.4374  0.0005  0.3692 -0.0029  0.0019  0.0256 -0.0000 -0.0055 -0.3770      0.0000  0.3691 -0.0001 -0.4382  0.0213  0.0016  0.0015 -0.0000  0.0268  0.4472
  o =  0.5706  v = -0.0052 -0.0022  0.4508  0.0169 -0.0002 -0.0022  0.3120 -0.0015 -0.5080  0.0403      0.0000  0.0196  0.2788 -0.0050  0.0067 -0.0330 -0.5093 -0.0037 -0.3174 -0.0029
  o =  0.5771  v =  0.0450 -0.3019  0.0294 -0.1081 -0.0001  0.6089  0.0031  0.0007 -0.0269 -0.2108      0.0000 -0.1085 -0.0197  0.2872 -0.0460  0.2240 -0.0277 -0.0077  0.0391  0.5737
  o =  0.5809  v = -0.3818  0.3371  0.0013  0.2612  0.0000  0.0336 -0.1458  0.3375 -0.0018 -0.0055      0.0000 -0.2662 -0.0019  0.3629  0.3347  0.0075 -0.0020  0.4474 -0.1430  0.0266
  o =  0.5816  v =  0.5902  0.2411  0.0053  0.1775 -0.0002 -0.0353  0.2229  0.2246 -0.0038  0.0137      0.0000 -0.1648  0.0040  0.2138 -0.5007 -0.0171 -0.0040  0.2986  0.2161 -0.0278
  o =  0.6225  v = -0.0073 -0.0032  0.8180 -0.0137 -0.0003 -0.0218 -0.0925 -0.0045  0.3622 -0.0342      0.0000 -0.0190  0.2121  0.0100 -0.0034 -0.0558  0.3624 -0.0058  0.0956  0.0136
  o =  0.6255  v =  0.0543  0.2533  0.0518  0.1064  0.0002  0.6906 -0.0015  0.0009  0.0273  0.2117      0.0000  0.1087 -0.0301 -0.2361  0.0367  0.3037  0.0277 -0.0155 -0.0331 -0.4819
  o =  0.6290  v = -0.2951 -0.3255  0.0062 -0.2685  0.0002  0.0303  0.1086  0.4216  0.0028  0.0033      0.0000  0.2716 -0.0008 -0.3500 -0.2413  0.0033  0.0032  0.5270  0.1073 -0.0251
  o =  0.6298  v = -0.6432  0.1709 -0.0052  0.1326 -0.0002  0.0349  0.2474 -0.1875 -0.0033  0.0173      0.0000 -0.1159 -0.0034  0.1412 -0.5409  0.0206 -0.0035 -0.2351  0.2429 -0.0303
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0197
 -0.0000  0.5614  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0459 -0.0004
 -0.0000  0.0000  0.6081  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5612 -0.0000      0.0000 -0.0459  0.0000 -0.0000 -0.0005
  0.0000  0.0000  0.0000 -0.0000  0.5691     -0.0197  0.0004 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0000  0.0096  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0000
 -0.0097  0.0008  0.0000  0.0001  0.0000     -0.0000 -0.0008 -0.0164 -0.0000 -0.0425
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0164  0.0004 -0.0426      0.0097 -0.0000  0.0000 -0.0010 -0.0000
 -0.0000 -0.0001  0.0000  0.0407  0.0008     -0.0000  0.0406  0.0000 -0.0001 -0.0012
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0096  0.0008  0.0000  0.0001 -0.0001     -0.0000  0.0008 -0.0169  0.0000 -0.0406
  0.0000  0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000  0.0001 -0.0169  0.0004  0.0407      0.0096  0.0000  0.0000  0.0010  0.0001
 -0.0000  0.0000  0.0000 -0.0426  0.0008      0.0000  0.0425 -0.0000  0.0000  0.0012
 
spin component  4
 
  0.6048  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0193
  0.0000  0.5428 -0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0372 -0.0004
 -0.0000 -0.0000  0.6073 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5428  0.0000      0.0000  0.0372  0.0000  0.0000 -0.0005
  0.0000 -0.0001  0.0000  0.0000  0.5514      0.0193  0.0004  0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4694  v = -0.0116  0.0217  0.0000  0.0357  0.0022  0.0003 -0.6046  0.0007  0.0024 -0.0364      0.0000  0.0293  0.0001 -0.0181 -0.5134  0.0005 -0.0027  0.0004 -0.6050  0.0222
  o =  0.4731  v =  0.0013  0.3216  0.0008  0.4684  0.0017  0.0020  0.0445  0.0002 -0.0016 -0.4869      0.0000  0.4681  0.0004 -0.3226  0.0325  0.0030 -0.0057 -0.0002  0.0411  0.3348
  o =  0.5669  v = -0.0021  0.0304  0.3270 -0.0081  0.0010 -0.0452 -0.4570 -0.0029 -0.4127 -0.0139      0.0000 -0.0035 -0.3614 -0.0251  0.0031  0.0101 -0.4115  0.0021  0.4540 -0.0617
  o =  0.5748  v =  0.0673 -0.2000  0.0479 -0.2725  0.0003  0.3612  0.0492 -0.0076 -0.0479 -0.5043      0.0000 -0.2562  0.0159  0.1854 -0.0764  0.4956 -0.0480 -0.0075  0.0177  0.3674
  o =  0.5816  v =  0.6713 -0.0609 -0.0041 -0.0910  0.0000 -0.0491  0.2384 -0.1526  0.0044  0.0510      0.0000  0.1410 -0.0039 -0.0981 -0.5880 -0.0659  0.0042 -0.1047  0.2453 -0.0381
  o =  0.5835  v =  0.1988  0.2737  0.0023  0.3982 -0.0001 -0.0043  0.0692  0.5618 -0.0033  0.0073      0.0000 -0.3926  0.0018  0.2704 -0.1584 -0.0091 -0.0028  0.3866  0.0679 -0.0029
  o =  0.6210  v = -0.0067 -0.0246  0.8637 -0.0151  0.0004 -0.0943  0.0025 -0.0056  0.3420 -0.0382      0.0000 -0.0224 -0.0028  0.0276 -0.0026 -0.0670  0.3423 -0.0002  0.0002  0.0537
  o =  0.6235  v =  0.0870  0.1544  0.1114  0.2109 -0.0000  0.4545 -0.0412 -0.0113  0.0518  0.3985      0.0000  0.2003  0.0366 -0.1451  0.0530  0.6240  0.0521 -0.0096 -0.0073 -0.2902
  o =  0.6295  v =  0.6755  0.0632 -0.0079  0.0917  0.0000 -0.0439 -0.2439 -0.1772 -0.0041 -0.0514      0.0000 -0.1422 -0.0044  0.1007  0.5681 -0.0593 -0.0039 -0.1242 -0.2495  0.0381
  o =  0.6313  v = -0.2031  0.2779 -0.0058  0.3955  0.0001  0.0055  0.0827 -0.5508 -0.0031  0.0087      0.0000 -0.3879 -0.0012  0.2729 -0.1819  0.0096 -0.0025 -0.3874  0.0804 -0.0049
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6066  0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0194
  0.0001  0.5556 -0.0000 -0.0002 -0.0002      0.0000  0.0000  0.0000  0.0441  0.0013
 -0.0001 -0.0000  0.6087 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0002 -0.0000  0.5556  0.0002     -0.0000 -0.0441 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.0002  0.5641     -0.0194 -0.0013 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0095 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0028 -0.0000  0.0000  0.0001     -0.0000  0.0002 -0.0162  0.0002 -0.0397
 -0.0000 -0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0165  0.0000  0.0000 -0.0000
  0.0000  0.0000  0.0162 -0.0022 -0.0396      0.0095  0.0003  0.0000  0.0003  0.0001
 -0.0000 -0.0000 -0.0001  0.0387 -0.0031      0.0001  0.0388 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0028 -0.0000  0.0000 -0.0000     -0.0000 -0.0002 -0.0165 -0.0003 -0.0388
 -0.0000 -0.0000 -0.0002  0.0162 -0.0001     -0.0000  0.0162 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0164 -0.0022  0.0387      0.0095 -0.0002 -0.0000 -0.0003  0.0000
  0.0000  0.0001 -0.0000 -0.0396 -0.0031     -0.0001  0.0397  0.0000 -0.0001 -0.0001
 
spin component  4
 
  0.6060 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0192
 -0.0001  0.5464 -0.0000 -0.0002  0.0001      0.0000 -0.0000  0.0000 -0.0400  0.0011
 -0.0001 -0.0000  0.6082  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5463 -0.0002     -0.0000  0.0400 -0.0000  0.0000  0.0001
  0.0000  0.0001 -0.0000 -0.0002  0.5550      0.0192 -0.0011  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4719  v =  0.0103  0.1552 -0.0003  0.0162 -0.0008  0.0005  0.5858  0.0002  0.0004 -0.0154      0.0000  0.0146  0.0005 -0.1368  0.5030  0.0001  0.0020  0.0021  0.5815  0.1488
  o =  0.4745  v = -0.0040  0.5615 -0.0004  0.0569 -0.0004 -0.0031 -0.1480  0.0001  0.0011 -0.0540      0.0000  0.0562  0.0021 -0.5659 -0.1264 -0.0003  0.0021 -0.0004 -0.1666  0.5381
  o =  0.5714  v =  0.0605  0.1487 -0.1354  0.0203 -0.0017 -0.2421  0.5496 -0.0016  0.1560  0.0479      0.0000  0.0216  0.4457 -0.1242 -0.0790 -0.0380  0.1564  0.0124 -0.4780 -0.3046
  o =  0.5746  v = -0.2237 -0.3114 -0.0345 -0.0074 -0.0010  0.4804  0.1447 -0.0114  0.0351  0.0122      0.0000  0.0182  0.2469  0.2087  0.2630 -0.0113  0.0356 -0.0485 -0.3734  0.5304
  o =  0.5784  v =  0.4885  0.1804  0.0022  0.0318 -0.0003  0.2457  0.2491  0.0370 -0.0005 -0.0028      0.0000 -0.0341  0.0496  0.4001 -0.5054  0.0042 -0.0001  0.3204  0.1613  0.2371
  o =  0.5810  v = -0.3496  0.4879 -0.0073  0.0533 -0.0005 -0.0950 -0.1561  0.0669  0.0058 -0.0027      0.0000 -0.0577 -0.0147  0.4144  0.3194  0.0053  0.0060  0.5466 -0.1264 -0.0829
  o =  0.6224  v =  0.1507 -0.1606 -0.1251 -0.0036 -0.0020 -0.5149 -0.3083 -0.0031 -0.0518 -0.0155      0.0000 -0.0108  0.6341  0.1238  0.0828 -0.0270 -0.0539  0.0351  0.2314  0.2999
  o =  0.6238  v = -0.2735  0.1901 -0.0623  0.0030 -0.0006  0.5403 -0.1748 -0.0184 -0.0289 -0.0116      0.0000 -0.0138  0.5395 -0.1409 -0.1672 -0.0184 -0.0301 -0.0563  0.3264 -0.3337
  o =  0.6262  v =  0.5732 -0.1503 -0.0090 -0.0274  0.0001  0.2647 -0.2130  0.0494 -0.0030  0.0009      0.0000  0.0281  0.0642 -0.3310  0.4105 -0.0007 -0.0033  0.4366 -0.1413 -0.1912
  o =  0.6283  v = -0.3990 -0.4177 -0.0096 -0.0436  0.0002 -0.1066  0.1580  0.0753 -0.0058  0.0029      0.0000  0.0475 -0.0353 -0.3392 -0.3081  0.0026 -0.0061  0.6217  0.1223  0.0850
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6063  0.0001 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0193
  0.0001  0.5506 -0.0000 -0.0002  0.0001      0.0000 -0.0000  0.0000  0.0417  0.0014
 -0.0001 -0.0000  0.6085 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5504  0.0003     -0.0000 -0.0417 -0.0000 -0.0000  0.0005
  0.0000  0.0001 -0.0000  0.0003  0.5593     -0.0193 -0.0014 -0.0000 -0.0005 -0.0000
 
spin component  2
 
 -0.0002  0.0095 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0036 -0.0000 -0.0002  0.0001     -0.0000  0.0008 -0.0163  0.0003 -0.0392
 -0.0000 -0.0000 -0.0002 -0.0163 -0.0001      0.0000  0.0163  0.0001 -0.0000 -0.0000
  0.0000 -0.0002  0.0163 -0.0029 -0.0392      0.0095  0.0002  0.0000  0.0011  0.0001
  0.0000 -0.0000 -0.0000  0.0392 -0.0038      0.0001  0.0393 -0.0000 -0.0000  0.0013
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0036 -0.0000 -0.0002 -0.0000      0.0000 -0.0008 -0.0163 -0.0002 -0.0393
 -0.0000 -0.0000 -0.0002  0.0163 -0.0000     -0.0000  0.0163 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0163 -0.0029  0.0392      0.0095 -0.0003  0.0000 -0.0011  0.0000
  0.0000  0.0001 -0.0001 -0.0392 -0.0038     -0.0001  0.0392  0.0000 -0.0001 -0.0013
 
spin component  4
 
  0.6063 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0193
 -0.0001  0.5513  0.0000 -0.0002 -0.0000      0.0000 -0.0000  0.0000 -0.0424  0.0015
 -0.0001  0.0000  0.6085  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5514 -0.0003     -0.0000  0.0424 -0.0000  0.0000  0.0005
 -0.0000 -0.0000  0.0000 -0.0003  0.5598      0.0193 -0.0015  0.0000 -0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4724  v = -0.0034 -0.4189  0.0013 -0.1406  0.0061  0.0039 -0.4110 -0.0007  0.0001  0.1266      0.0000 -0.1343 -0.0019  0.4021 -0.3749  0.0014 -0.0118 -0.0019 -0.3951 -0.3785
  o =  0.4741  v =  0.0064 -0.3817  0.0011 -0.1182  0.0037  0.0058  0.4301  0.0005 -0.0010  0.1067      0.0000 -0.1229 -0.0017  0.4003  0.3888  0.0017 -0.0083  0.0021  0.4450 -0.3453
  o =  0.5731  v = -0.3621 -0.4051  0.1054 -0.1391  0.0006  0.3021 -0.3362 -0.0645 -0.1161 -0.1517      0.0000  0.0053 -0.1309 -0.0772  0.4382  0.1248 -0.1165 -0.2217 -0.0534  0.3648
  o =  0.5755  v = -0.1115 -0.2730 -0.1963 -0.0730 -0.0011 -0.2503  0.1860 -0.1199  0.1969  0.1090      0.0000  0.1647  0.2268 -0.5087  0.1300 -0.0972  0.1968 -0.3848 -0.2767 -0.2828
  o =  0.5774  v =  0.3082 -0.1957  0.2200 -0.0931  0.0017 -0.1322 -0.1753 -0.1033 -0.2089  0.0058      0.0000  0.1065 -0.3438 -0.3378 -0.3135 -0.0088 -0.2094 -0.2825  0.4737 -0.1308
  o =  0.5796  v = -0.3827  0.3221  0.1274  0.0838  0.0012 -0.4172 -0.3556  0.0315 -0.1127  0.1264      0.0000  0.0288 -0.2194 -0.0336  0.3628 -0.1326 -0.1125  0.1627  0.0329 -0.3961
  o =  0.6230  v = -0.5317  0.2639  0.1357  0.0779  0.0002  0.4509  0.2395 -0.0778  0.0586  0.0974      0.0000  0.0120 -0.2053  0.0178 -0.3144  0.1665  0.0588 -0.3131  0.0516 -0.2648
  o =  0.6245  v =  0.1800 -0.1355  0.2135 -0.1371  0.0022  0.3579  0.1215  0.2903  0.1085  0.0187      0.0000  0.1526 -0.3566 -0.3447  0.1240  0.0255  0.1077  0.4929 -0.2235 -0.2361
  o =  0.6257  v =  0.3491  0.1442  0.2838  0.1088 -0.0001 -0.1541  0.1387 -0.1997  0.1469  0.0180      0.0000 -0.0961 -0.4774  0.2496  0.2364  0.0248  0.1491 -0.3711 -0.3666  0.0994
  o =  0.6272  v =  0.4218  0.2888 -0.1614  0.0727 -0.0004  0.4543 -0.3086 -0.0397 -0.0912  0.1083      0.0000  0.0268  0.2882 -0.0241  0.3151  0.1460 -0.0923 -0.2360  0.0187 -0.3385
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6036 -0.0002 -0.0001 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0002  0.5500  0.0000 -0.0000 -0.0001     -0.0000 -0.0000 -0.0001  0.0425 -0.0037
 -0.0001  0.0000  0.6069  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0001  0.5502 -0.0004      0.0000 -0.0425  0.0000  0.0000 -0.0005
 -0.0000 -0.0001  0.0000 -0.0004  0.5610     -0.0199  0.0037 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0003  0.0098  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0098 -0.0002
 -0.0098  0.0077  0.0000  0.0003 -0.0001      0.0000 -0.0009 -0.0168 -0.0008 -0.0436
  0.0000 -0.0000  0.0004 -0.0167  0.0001     -0.0000  0.0167 -0.0001  0.0000  0.0000
 -0.0000  0.0002  0.0168  0.0057 -0.0432      0.0098 -0.0005  0.0000 -0.0010 -0.0001
 -0.0000  0.0003  0.0001  0.0444  0.0090     -0.0002  0.0443  0.0000  0.0002 -0.0014
 
spin component  3
 
  0.0003 -0.0098  0.0000 -0.0000 -0.0000      0.0001 -0.0000  0.0000 -0.0098  0.0002
  0.0098  0.0077 -0.0000  0.0002  0.0003     -0.0000  0.0009 -0.0167  0.0005 -0.0443
  0.0000  0.0000  0.0004  0.0168  0.0001      0.0000  0.0168  0.0001 -0.0000 -0.0000
  0.0000  0.0003 -0.0167  0.0057  0.0444      0.0098  0.0008 -0.0000  0.0010 -0.0002
 -0.0000 -0.0001  0.0001 -0.0432  0.0090      0.0002  0.0436 -0.0000  0.0001  0.0014
 
spin component  4
 
  0.6038  0.0002 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001 -0.0200
  0.0002  0.5547 -0.0000 -0.0001  0.0001     -0.0000  0.0000 -0.0001 -0.0447 -0.0040
 -0.0001 -0.0000  0.6072 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5545  0.0004      0.0001  0.0447  0.0000 -0.0000 -0.0005
  0.0000  0.0001 -0.0000  0.0004  0.5669      0.0200  0.0040 -0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4666  v = -0.0003 -0.4357  0.0014  0.2226  0.2026  0.0044  0.2770 -0.0023  0.1985 -0.2136      0.0000  0.2430  0.0040  0.4193  0.2584 -0.0024 -0.2105 -0.0018  0.2414 -0.3919
  o =  0.4699  v =  0.0052  0.3236  0.0007  0.0516  0.0056 -0.0071  0.4740 -0.0005  0.0023 -0.0459      0.0000  0.0564 -0.0030 -0.3616  0.4456 -0.0010 -0.0088 -0.0042  0.5001  0.2881
  o =  0.5716  v = -0.3643  0.5028  0.0234  0.0504 -0.0003 -0.2309 -0.3069  0.0340 -0.0276  0.0302      0.0000 -0.0244 -0.1201  0.2612  0.4167 -0.0246 -0.0260  0.3576 -0.0604 -0.2671
  o =  0.5764  v = -0.0828 -0.2182  0.1849  0.1147  0.0043 -0.3141 -0.3248  0.0601 -0.1635  0.1380      0.0000 -0.0030 -0.2929 -0.4700  0.0681 -0.1399 -0.1740 -0.3711  0.2186 -0.3129
  o =  0.5795  v =  0.4121  0.1567  0.1409  0.0231  0.0015  0.0965 -0.1834  0.0359 -0.1149 -0.0108      0.0000 -0.0408 -0.4337  0.2652 -0.3349  0.0163 -0.1148  0.2623  0.5178  0.0715
  o =  0.5846  v = -0.4189 -0.2487  0.0815 -0.0448  0.0005  0.5799 -0.2949 -0.0243 -0.0541 -0.0658      0.0000 -0.0132 -0.2680  0.0860  0.2647  0.1002 -0.0533 -0.1174  0.0581  0.3787
  o =  0.6220  v = -0.4963 -0.3280  0.0351 -0.0263  0.0012 -0.3469  0.2451  0.0402  0.0139 -0.0206      0.0000  0.0069 -0.2029 -0.1284 -0.3161 -0.0357  0.0138  0.5039  0.0485  0.2148
  o =  0.6253  v =  0.0742 -0.1646 -0.3408  0.1924  0.0062  0.2758 -0.1935 -0.2319 -0.1811  0.1677      0.0000 -0.0490  0.3055 -0.3446  0.0438  0.2176 -0.1896  0.4747  0.1306 -0.2095
  o =  0.6277  v = -0.3919  0.1361 -0.1632  0.0247 -0.0007 -0.1277 -0.1534 -0.0575 -0.0991 -0.0117      0.0000 -0.0405  0.4999  0.2484 -0.3171 -0.0165 -0.1009 -0.3072  0.4698  0.0905
  o =  0.6353  v = -0.3311  0.3101  0.0644  0.0551  0.0007  0.4520  0.3418 -0.0210  0.0524  0.0838      0.0000  0.0207 -0.2146 -0.1334 -0.3615  0.0775  0.0529 -0.1112 -0.0091 -0.4894
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0001  0.5480  0.0000 -0.0001  0.0002     -0.0000  0.0000 -0.0000  0.0418 -0.0010
 -0.0001  0.0000  0.6068  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.5480 -0.0004      0.0000 -0.0418  0.0000 -0.0000 -0.0005
 -0.0000  0.0002 -0.0000 -0.0004  0.5593     -0.0198  0.0010  0.0000  0.0005 -0.0000
 
spin component  2
 
  0.0001  0.0098  0.0000  0.0000 -0.0000     -0.0001 -0.0000 -0.0000 -0.0098 -0.0001
 -0.0098  0.0024  0.0000  0.0001 -0.0002     -0.0000 -0.0010 -0.0169 -0.0002 -0.0432
  0.0000 -0.0000  0.0001 -0.0166  0.0000     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000  0.0001  0.0169  0.0020 -0.0432      0.0098 -0.0004 -0.0000 -0.0011 -0.0002
 -0.0000  0.0002  0.0000  0.0444  0.0025     -0.0001  0.0445  0.0000  0.0002 -0.0012
 
spin component  3
 
  0.0001 -0.0098  0.0000 -0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0024 -0.0000  0.0001  0.0002      0.0000  0.0010 -0.0166  0.0004 -0.0445
  0.0000  0.0000  0.0001  0.0169  0.0000      0.0000  0.0169  0.0001  0.0000 -0.0000
  0.0000  0.0001 -0.0166  0.0020  0.0444      0.0098  0.0002  0.0000  0.0011 -0.0002
 -0.0000 -0.0002  0.0000 -0.0432  0.0025      0.0001  0.0432 -0.0000  0.0002  0.0012
 
spin component  4
 
  0.6039  0.0001 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0200
  0.0001  0.5567 -0.0000 -0.0000 -0.0002     -0.0000 -0.0000 -0.0000 -0.0455 -0.0009
 -0.0001 -0.0000  0.6072 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0000 -0.0000  0.5568  0.0004      0.0000  0.0455  0.0000  0.0000 -0.0005
  0.0000 -0.0002 -0.0000  0.0004  0.5686      0.0200  0.0009 -0.0000  0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4669  v =  0.0003  0.2979  0.0017  0.4976  0.0977 -0.0046 -0.1222 -0.0000  0.0904 -0.4365      0.0000  0.4978 -0.0001 -0.2913 -0.1230 -0.0077 -0.1061  0.0008 -0.1211  0.2583
  o =  0.4698  v = -0.0027 -0.1477 -0.0001 -0.0551 -0.0007  0.0037 -0.5618  0.0007 -0.0003  0.0474      0.0000 -0.0614  0.0003  0.1629 -0.5400  0.0015  0.0017  0.0018 -0.5648 -0.1278
  o =  0.5730  v = -0.1678  0.5147 -0.0025  0.2426  0.0003 -0.0158 -0.0784  0.2344  0.0003  0.0051      0.0000 -0.2391 -0.0019  0.4976  0.1820 -0.0030  0.0001  0.4923 -0.0775 -0.0189
  o =  0.5778  v =  0.6211  0.0496 -0.0371  0.0265 -0.0003  0.1995  0.3091  0.0704  0.0328 -0.0763      0.0000 -0.0958  0.0527  0.2131 -0.5414  0.0827  0.0326  0.1497  0.2174  0.1854
  o =  0.5800  v = -0.1736 -0.1318 -0.4138 -0.0444 -0.0015  0.3104  0.2470 -0.0146  0.3290 -0.0765      0.0000 -0.0150  0.3920  0.0813  0.1369  0.0889  0.3280 -0.0317 -0.3754  0.2664
  o =  0.5822  v = -0.1739 -0.2009  0.2892 -0.1001  0.0005  0.5589 -0.2017 -0.0149 -0.2102 -0.2064      0.0000 -0.0787 -0.2008  0.1648  0.1257  0.2724 -0.2099 -0.0230  0.0902  0.4234
  o =  0.6233  v = -0.2416 -0.3535 -0.0055 -0.1607 -0.0000 -0.0336  0.0820  0.3294 -0.0056 -0.0030      0.0000  0.1579 -0.0058 -0.3337 -0.1683 -0.0074 -0.0055  0.7099  0.0725  0.0213
  o =  0.6263  v = -0.6417  0.0449  0.0606  0.0209  0.0001 -0.2256  0.2856 -0.0969  0.0346 -0.0751      0.0000 -0.0906 -0.0728  0.2040 -0.4984 -0.0973  0.0348 -0.2189  0.2021  0.1743
  o =  0.6281  v = -0.1597  0.1072 -0.4895  0.0368 -0.0009  0.2303 -0.2321 -0.0307 -0.3088  0.0514      0.0000  0.0050  0.4707 -0.0599 -0.1365  0.0590 -0.3102 -0.0373  0.3630 -0.1986
  o =  0.6311  v = -0.1732  0.2436  0.2282  0.1194  0.0003  0.5291  0.1892 -0.0175  0.1630  0.2390      0.0000  0.0947 -0.1569 -0.2030 -0.1660  0.2535  0.1634 -0.0298 -0.0354 -0.4992
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0193
  0.0001  0.5550 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0000  0.0432  0.0012
 -0.0000 -0.0000  0.6086 -0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5548  0.0004     -0.0000 -0.0432  0.0000 -0.0000  0.0001
  0.0000 -0.0001  0.0000  0.0004  0.5637     -0.0193 -0.0012 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0095  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0028 -0.0000  0.0000 -0.0001     -0.0000  0.0003 -0.0161  0.0002 -0.0389
 -0.0000  0.0000 -0.0002 -0.0164 -0.0001      0.0000  0.0164  0.0000 -0.0000 -0.0000
  0.0000  0.0000  0.0161 -0.0023 -0.0391      0.0095  0.0002  0.0000  0.0002 -0.0000
 -0.0000 -0.0001 -0.0000  0.0377 -0.0030      0.0001  0.0381 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0028  0.0000  0.0000 -0.0001     -0.0000 -0.0003 -0.0164 -0.0002 -0.0381
  0.0000 -0.0000 -0.0002  0.0161 -0.0000     -0.0000  0.0161 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0164 -0.0023  0.0377      0.0095 -0.0002  0.0000 -0.0002  0.0001
  0.0000 -0.0001 -0.0001 -0.0391 -0.0030     -0.0001  0.0389  0.0000  0.0000 -0.0001
 
spin component  4
 
  0.6060 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0191
 -0.0001  0.5461 -0.0000  0.0001  0.0001      0.0000 -0.0000  0.0000 -0.0393  0.0012
 -0.0000 -0.0000  0.6081  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0000  0.5462 -0.0003     -0.0000  0.0393 -0.0000  0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0003  0.5545      0.0191 -0.0012  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4731  v = -0.0104 -0.1628  0.0000 -0.0086 -0.0021 -0.0003 -0.5840 -0.0002 -0.0024  0.0083      0.0000 -0.0071 -0.0006  0.1451 -0.5013 -0.0001  0.0020 -0.0020 -0.5793 -0.1554
  o =  0.4755  v =  0.0045 -0.5610  0.0004 -0.0422 -0.0029  0.0033  0.1552  0.0002 -0.0047  0.0402      0.0000 -0.0427 -0.0022  0.5658  0.1318  0.0003  0.0013  0.0005  0.1744 -0.5366
  o =  0.5705  v = -0.0663 -0.1600 -0.0021  0.0109  0.0006  0.2588 -0.5683 -0.0014  0.0013  0.0290      0.0000  0.0144 -0.4476  0.1403  0.0885 -0.0218  0.0032 -0.0102  0.4885  0.3343
  o =  0.5740  v =  0.1927  0.2941  0.0355  0.0300  0.0005 -0.4736 -0.1834  0.0119 -0.0376  0.0348      0.0000  0.0041 -0.2664 -0.2289 -0.2319 -0.0305 -0.0371  0.0294  0.3856 -0.5334
  o =  0.5777  v = -0.4753 -0.2275  0.0141 -0.0240  0.0005 -0.2048 -0.2354 -0.0325 -0.0142  0.0136      0.0000  0.0360 -0.0329 -0.4139  0.5073 -0.0142 -0.0141 -0.3437 -0.1766 -0.2047
  o =  0.5803  v =  0.3699 -0.4850 -0.0025 -0.0448  0.0004  0.1080  0.1667 -0.0550  0.0020  0.0037      0.0000  0.0488  0.0134 -0.3986 -0.3487 -0.0048  0.0022 -0.5211  0.1392  0.0977
  o =  0.6219  v = -0.1555  0.1638  0.0462 -0.0027  0.0008  0.5517  0.2949 -0.0052  0.0190 -0.0091      0.0000 -0.0059 -0.6195 -0.1330 -0.0834 -0.0155  0.0192 -0.0290 -0.2174 -0.3128
  o =  0.6234  v =  0.2268 -0.1712  0.1011 -0.0252  0.0003 -0.5330  0.1993  0.0227  0.0463 -0.0281      0.0000 -0.0027 -0.5718  0.1493  0.1351 -0.0460  0.0463  0.0285 -0.3225  0.3234
  o =  0.6255  v =  0.5831 -0.1767 -0.0256 -0.0132  0.0000  0.2222 -0.1952  0.0359 -0.0128  0.0128      0.0000  0.0252  0.0350 -0.3236  0.4046  0.0181 -0.0129  0.4684 -0.1547 -0.1573
  o =  0.6276  v = -0.4242 -0.4057  0.0005 -0.0311 -0.0001 -0.1137  0.1608  0.0576  0.0005  0.0054      0.0000  0.0368 -0.0332 -0.3234 -0.3191  0.0072  0.0004  0.6155  0.1287  0.0895
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6062  0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0191
  0.0001  0.5499 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0000  0.0405  0.0015
 -0.0000 -0.0000  0.6084 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000  0.0000 -0.0000  0.5500  0.0002     -0.0000 -0.0405 -0.0000  0.0000  0.0004
 -0.0000  0.0001 -0.0000  0.0002  0.5585     -0.0191 -0.0015 -0.0000 -0.0004  0.0000
 
spin component  2
 
 -0.0002  0.0095 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0036 -0.0000 -0.0002  0.0000     -0.0000  0.0008 -0.0162  0.0002 -0.0381
 -0.0000  0.0000 -0.0002 -0.0162 -0.0000      0.0000  0.0162  0.0001 -0.0000 -0.0000
  0.0000 -0.0002  0.0162 -0.0028 -0.0379      0.0095  0.0003  0.0000  0.0009  0.0000
  0.0000 -0.0000 -0.0001  0.0383 -0.0039      0.0001  0.0381 -0.0000 -0.0000  0.0012
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0036  0.0000 -0.0002 -0.0000     -0.0000 -0.0008 -0.0162 -0.0003 -0.0381
 -0.0000 -0.0000 -0.0002  0.0162 -0.0001     -0.0000  0.0162 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0162 -0.0028  0.0383      0.0095 -0.0002  0.0000 -0.0009  0.0000
  0.0000  0.0000 -0.0000 -0.0379 -0.0039     -0.0001  0.0381  0.0000 -0.0000 -0.0012
 
spin component  4
 
  0.6063 -0.0001 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000 -0.0192
 -0.0001  0.5507  0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000 -0.0412  0.0014
 -0.0000  0.0000  0.6084  0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5506 -0.0003     -0.0000  0.0412 -0.0000 -0.0000  0.0004
 -0.0000 -0.0000  0.0000 -0.0003  0.5592      0.0192 -0.0014  0.0000 -0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4740  v = -0.0039 -0.4173  0.0010 -0.1081 -0.0017  0.0039 -0.4230 -0.0005 -0.0064  0.0977      0.0000 -0.1032 -0.0019  0.3996 -0.3842  0.0010 -0.0026 -0.0020 -0.4068 -0.3772
  o =  0.4757  v =  0.0063 -0.3964  0.0012 -0.1080 -0.0034  0.0064  0.4191  0.0006 -0.0086  0.0977      0.0000 -0.1135 -0.0017  0.4156  0.3785  0.0016 -0.0013  0.0023  0.4347 -0.3578
  o =  0.5720  v = -0.3603 -0.4362  0.0765 -0.1088 -0.0003  0.2899 -0.3340 -0.0488 -0.0875 -0.1168      0.0000  0.0040 -0.1199 -0.1089  0.4525  0.0927 -0.0869 -0.2427 -0.0667  0.3638
  o =  0.5745  v = -0.1006 -0.2098 -0.1392 -0.1509  0.0006 -0.2645  0.2776 -0.1589  0.1457  0.0336      0.0000  0.1772  0.3042 -0.4671  0.1225 -0.0284  0.1415 -0.3222 -0.3614 -0.3108
  o =  0.5762  v =  0.2837 -0.2243  0.2085 -0.0785  0.0001 -0.1470 -0.1642 -0.0910 -0.2070  0.0227      0.0000  0.1057 -0.3150 -0.3850 -0.3023 -0.0234 -0.2072 -0.3090  0.4545 -0.1542
  o =  0.5788  v = -0.3820  0.3205  0.1196  0.0899 -0.0000 -0.4127 -0.3547  0.0369 -0.1085  0.1282      0.0000  0.0245 -0.2064 -0.0432  0.3761 -0.1300 -0.1080  0.1516  0.0216 -0.4058
  o =  0.6222  v = -0.5501  0.2634  0.1060  0.0646  0.0002  0.4562  0.2313 -0.0661  0.0448  0.0796      0.0000  0.0097 -0.1948  0.0230 -0.3135  0.1410  0.0445 -0.3308  0.0588 -0.2583
  o =  0.6237  v =  0.1970 -0.1013  0.1804 -0.1503  0.0023  0.3678  0.1484  0.3025  0.0896 -0.0084      0.0000  0.1409 -0.4310 -0.3091  0.1305 -0.0154  0.0876  0.4372 -0.2572 -0.2356
  o =  0.6247  v =  0.3422  0.1672  0.2603  0.1151 -0.0010 -0.1609  0.1244 -0.2153  0.1282  0.0231      0.0000 -0.0967 -0.4568  0.2712  0.2216  0.0322  0.1294 -0.4311 -0.3392  0.0997
  o =  0.6263  v =  0.4184  0.2780 -0.1581  0.0675 -0.0001  0.4670 -0.3112 -0.0381 -0.0872  0.0983      0.0000  0.0230  0.3152 -0.0330  0.3034  0.1365 -0.0875 -0.2267  0.0327 -0.3357
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0002  0.5502  0.0000 -0.0004 -0.0000     -0.0000  0.0000 -0.0001  0.0427 -0.0035
 -0.0001  0.0000  0.6066  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0004  0.0001  0.5500 -0.0004      0.0001 -0.0427  0.0000 -0.0000 -0.0005
 -0.0000 -0.0000  0.0000 -0.0004  0.5608     -0.0199  0.0035 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0003  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0002
 -0.0098  0.0070 -0.0000  0.0001  0.0003     -0.0000 -0.0007 -0.0169 -0.0005 -0.0433
  0.0000  0.0000  0.0004 -0.0167  0.0001     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0054 -0.0434      0.0098 -0.0007  0.0000 -0.0010  0.0002
 -0.0000 -0.0004  0.0001  0.0441  0.0081     -0.0002  0.0444  0.0000 -0.0004 -0.0013
 
spin component  3
 
  0.0003 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0002
  0.0098  0.0070  0.0000  0.0001 -0.0004     -0.0000  0.0007 -0.0167  0.0007 -0.0444
  0.0000 -0.0000  0.0004  0.0169  0.0001      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0167  0.0054  0.0441      0.0098  0.0005  0.0000  0.0010  0.0004
 -0.0000  0.0003  0.0001 -0.0434  0.0081      0.0002  0.0433 -0.0000 -0.0002  0.0013
 
spin component  4
 
  0.6037  0.0002 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0200
  0.0002  0.5553 -0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0001 -0.0451 -0.0033
 -0.0001 -0.0000  0.6069 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0001  0.5555  0.0004      0.0000  0.0451  0.0000  0.0000 -0.0005
 -0.0000  0.0000 -0.0000  0.0004  0.5670      0.0200  0.0033  0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4667  v = -0.0001  0.2855  0.0035  0.4105  0.2273 -0.0030 -0.2185 -0.0017  0.2122 -0.3805      0.0000  0.4247 -0.0017 -0.2677 -0.2097 -0.0046 -0.2440  0.0020 -0.2038  0.2523
  o =  0.4700  v =  0.0048  0.3052  0.0008  0.0458  0.0055 -0.0073  0.4875 -0.0007  0.0024 -0.0410      0.0000  0.0516 -0.0026 -0.3425  0.4609 -0.0010 -0.0089 -0.0043  0.5100  0.2697
  o =  0.5720  v = -0.3662  0.5009  0.0356  0.0982  0.0012 -0.2049 -0.2819  0.0674 -0.0393  0.0599      0.0000 -0.0458 -0.1011  0.2889  0.4111 -0.0509 -0.0406  0.3774 -0.0806 -0.2344
  o =  0.5766  v = -0.1451 -0.1853  0.0893 -0.0853  0.0002 -0.3649 -0.3541 -0.1084 -0.0811  0.0245      0.0000  0.1043 -0.3023 -0.4791  0.1240 -0.0261 -0.0761 -0.3653  0.1937 -0.3569
  o =  0.5798  v =  0.4139  0.1404  0.1351  0.0432  0.0028  0.0495 -0.2105  0.0430 -0.1065  0.0218      0.0000 -0.0299 -0.4735  0.2108 -0.3296 -0.0230 -0.1061  0.2256  0.5353  0.0320
  o =  0.5841  v = -0.3979 -0.2563  0.0604 -0.0177  0.0016  0.5843 -0.3037  0.0040 -0.0413 -0.0448      0.0000 -0.0211 -0.2838  0.0900  0.2576  0.0660 -0.0414 -0.1192  0.0733  0.3919
  o =  0.6221  v =  0.4944  0.3336 -0.0601  0.0588 -0.0001  0.3115 -0.2334 -0.0884 -0.0252  0.0428      0.0000 -0.0196  0.1688  0.1519  0.3202  0.0698 -0.0258 -0.5225 -0.0642 -0.1957
  o =  0.6254  v =  0.1278 -0.1571 -0.1487 -0.0401 -0.0015  0.3730 -0.2634  0.0977 -0.0846  0.0397      0.0000  0.0735  0.3852 -0.4056  0.0827  0.0494 -0.0851  0.5167  0.1588 -0.2855
  o =  0.6281  v =  0.3838 -0.1221  0.1495 -0.0475  0.0004  0.0912  0.1835  0.0653  0.0937 -0.0233      0.0000  0.0301 -0.5332 -0.2078  0.3183 -0.0259  0.0962  0.2556 -0.4987 -0.0630
  o =  0.6344  v = -0.3273  0.3147  0.0444  0.0221 -0.0001  0.4664  0.3423  0.0032  0.0344  0.0565      0.0000  0.0281 -0.2266 -0.1315 -0.3490  0.0534  0.0358 -0.1179 -0.0202 -0.4925
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6034 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0001  0.5493  0.0000 -0.0004  0.0002     -0.0000 -0.0000 -0.0000  0.0426 -0.0010
 -0.0001  0.0000  0.6066  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0004  0.0000  0.5497 -0.0004      0.0000 -0.0426  0.0000 -0.0000 -0.0003
 -0.0000  0.0002  0.0000 -0.0004  0.5601     -0.0198  0.0010 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0001  0.0098 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0029 -0.0000  0.0000  0.0003     -0.0000 -0.0007 -0.0169 -0.0004 -0.0434
  0.0000  0.0000  0.0002 -0.0167  0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169  0.0024 -0.0429      0.0098 -0.0002  0.0000 -0.0007  0.0003
 -0.0000 -0.0004  0.0000  0.0444  0.0031     -0.0001  0.0441  0.0000 -0.0004 -0.0007
 
spin component  3
 
  0.0001 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0029  0.0000  0.0000 -0.0004     -0.0000  0.0007 -0.0167  0.0002 -0.0441
 -0.0000 -0.0000  0.0002  0.0169  0.0000      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0167  0.0024  0.0444      0.0099  0.0004  0.0000  0.0007  0.0004
 -0.0000  0.0003  0.0000 -0.0429  0.0031      0.0001  0.0434 -0.0000 -0.0003  0.0007
 
spin component  4
 
  0.6038  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0200
  0.0001  0.5561 -0.0000 -0.0003 -0.0002     -0.0000  0.0000 -0.0000 -0.0453 -0.0013
 -0.0001 -0.0000  0.6069 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5557  0.0004      0.0000  0.0453  0.0000 -0.0000 -0.0003
  0.0000 -0.0002 -0.0000  0.0004  0.5676      0.0200  0.0013  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4673  v = -0.0001 -0.4811 -0.0014 -0.2875 -0.0639  0.0069  0.2070  0.0001 -0.0585  0.2556      0.0000 -0.2882  0.0014  0.4741  0.1994  0.0041  0.0709 -0.0007  0.1944 -0.4239
  o =  0.4698  v =  0.0037  0.2066  0.0004  0.0487 -0.0002 -0.0043  0.5443 -0.0006 -0.0015 -0.0427      0.0000  0.0529 -0.0007 -0.2236  0.5173 -0.0011 -0.0012 -0.0019  0.5507  0.1823
  o =  0.5741  v = -0.2276  0.5372  0.0137  0.1804  0.0004 -0.0673 -0.1087  0.1685 -0.0150  0.0322      0.0000 -0.1516 -0.0080  0.4713  0.2371 -0.0279 -0.0164  0.5135 -0.0978 -0.0719
  o =  0.5779  v = -0.5391 -0.0809  0.1500 -0.0341  0.0001 -0.2659 -0.3176 -0.0784 -0.1297  0.0750      0.0000  0.0975 -0.1044 -0.2963  0.4704 -0.0820 -0.1291 -0.2182 -0.1381 -0.2437
  o =  0.5793  v =  0.3004  0.1130  0.3658  0.0745  0.0019 -0.1906 -0.2133  0.0188 -0.2946  0.1401      0.0000  0.0379 -0.4068 -0.0154 -0.2456 -0.1589 -0.2947  0.0604  0.4438 -0.1697
  o =  0.5820  v = -0.2121 -0.2186  0.0925 -0.0052  0.0018  0.6207 -0.3005  0.0134 -0.0676 -0.0314      0.0000 -0.0216 -0.3193  0.1928  0.1539  0.0410 -0.0682 -0.0151  0.1627  0.4702
  o =  0.6238  v =  0.3080  0.3846 -0.0265  0.1306  0.0004  0.1041 -0.1131 -0.2336 -0.0107  0.0277      0.0000 -0.1051  0.0183  0.3190  0.2191  0.0427 -0.0114 -0.6960 -0.0886 -0.0703
  o =  0.6264  v = -0.5381  0.0734  0.2265  0.0284  0.0005 -0.2834  0.2839 -0.1017  0.1324 -0.0730      0.0000 -0.0927 -0.1378  0.2748 -0.4182 -0.0913  0.1326 -0.3014  0.1245  0.2205
  o =  0.6276  v =  0.3101 -0.0929  0.4515 -0.0785  0.0003 -0.1204  0.1552  0.0442  0.2798 -0.1276      0.0000 -0.0300 -0.4482 -0.0100  0.2576 -0.1511  0.2818  0.0824 -0.4021  0.1054
  o =  0.6309  v =  0.2043 -0.2577 -0.0797 -0.0080  0.0002 -0.5726 -0.2847 -0.0156 -0.0557 -0.0441      0.0000 -0.0312  0.2723  0.2283  0.1945 -0.0465 -0.0574  0.0227  0.1047  0.5377
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6049 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5479 -0.0000 -0.0002 -0.0002      0.0000  0.0000 -0.0000  0.0402 -0.0004
 -0.0001 -0.0000  0.6072  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0002  0.0000  0.5478 -0.0000      0.0000 -0.0402 -0.0000  0.0000  0.0005
 -0.0000 -0.0002  0.0000 -0.0000  0.5549     -0.0198  0.0004 -0.0000 -0.0005  0.0000
 
spin component  2
 
  0.0001  0.0098 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0010 -0.0000 -0.0001  0.0001     -0.0000  0.0010 -0.0169 -0.0001 -0.0431
 -0.0000  0.0000  0.0001 -0.0166 -0.0000     -0.0000  0.0166  0.0001 -0.0000 -0.0000
  0.0000 -0.0001  0.0169  0.0006 -0.0431      0.0098 -0.0001  0.0000  0.0012  0.0001
  0.0000 -0.0001 -0.0000  0.0441  0.0011     -0.0000  0.0443 -0.0000 -0.0001  0.0013
 
spin component  3
 
  0.0001 -0.0098 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0010  0.0000 -0.0001 -0.0001     -0.0000 -0.0010 -0.0166  0.0001 -0.0443
 -0.0000 -0.0000  0.0001  0.0169 -0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0000
 -0.0000 -0.0001 -0.0166  0.0006  0.0441      0.0098  0.0001  0.0000 -0.0012  0.0001
  0.0000  0.0001 -0.0000 -0.0431  0.0011      0.0000  0.0431  0.0000 -0.0001 -0.0013
 
spin component  4
 
  0.6054  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0199
  0.0000  0.5565  0.0000 -0.0002  0.0002      0.0000 -0.0000 -0.0000 -0.0434 -0.0004
 -0.0001  0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5567  0.0000      0.0000  0.0434 -0.0000 -0.0000  0.0005
  0.0000  0.0002 -0.0000  0.0000  0.5640      0.0199  0.0004  0.0000 -0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4672  v =  0.0009  0.3377 -0.0009 -0.4790 -0.0155 -0.0033 -0.0911 -0.0000 -0.0112  0.4370      0.0000 -0.4790  0.0004 -0.3375 -0.0978  0.0048  0.0195  0.0001 -0.0937  0.3079
  o =  0.4697  v = -0.0019  0.0664 -0.0003 -0.0681  0.0037 -0.0011  0.5680  0.0009  0.0049  0.0615      0.0000 -0.0756  0.0001 -0.0721  0.5732  0.0013 -0.0022 -0.0006  0.5669  0.0604
  o =  0.5722  v = -0.0848  0.3319  0.0080 -0.4817 -0.0001  0.0029 -0.0428 -0.4487 -0.0076 -0.0067      0.0000  0.4738  0.0019  0.3356  0.0982  0.0073 -0.0073  0.3134 -0.0463  0.0057
  o =  0.5772  v =  0.6320 -0.0042  0.0265 -0.0171  0.0001  0.1035  0.3002 -0.0716 -0.0211  0.1026      0.0000  0.1133 -0.0001  0.0914 -0.5891 -0.1033 -0.0208  0.0473  0.3007  0.1033
  o =  0.5792  v = -0.0786 -0.0816  0.5984  0.0741 -0.0001  0.1727 -0.0938  0.0113 -0.4972  0.1501      0.0000  0.0546 -0.0712  0.0559  0.0710 -0.1619 -0.4962 -0.0145  0.0249  0.1603
  o =  0.5811  v = -0.1425 -0.1800 -0.2447  0.1811 -0.0004  0.4463 -0.0234  0.0092  0.1885  0.3897      0.0000  0.1709  0.0405  0.1611  0.1119 -0.4609  0.1888 -0.0149 -0.0857  0.3776
  o =  0.6233  v = -0.1424 -0.2143  0.0169  0.3236  0.0002  0.0027  0.0406 -0.6812  0.0099  0.0082      0.0000 -0.3150  0.0046 -0.2132 -0.0908  0.0118  0.0097  0.4558  0.0460  0.0003
  o =  0.6259  v = -0.7213  0.0003 -0.0250 -0.0221  0.0001 -0.1244  0.2571  0.1177 -0.0164  0.0875      0.0000  0.1052  0.0015  0.0819 -0.5109  0.1258 -0.0161 -0.0758  0.2589  0.0865
  o =  0.6276  v = -0.0757  0.0706  0.7086 -0.0657  0.0006  0.1649  0.0978  0.0175  0.4268 -0.1258      0.0000 -0.0463 -0.1159 -0.0443 -0.0570 -0.1614  0.4268 -0.0241 -0.0423 -0.1285
  o =  0.6296  v = -0.1438  0.1841 -0.2366 -0.1886 -0.0001  0.4518  0.0295  0.0090 -0.1559 -0.3922      0.0000 -0.1743  0.0463 -0.1641 -0.1219 -0.4713 -0.1564 -0.0124  0.0900 -0.3762
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6048  0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0194
  0.0001  0.5439 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0390  0.0018
 -0.0001 -0.0000  0.6072 -0.0001  0.0001     -0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5445  0.0003     -0.0000 -0.0390  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0001  0.0003  0.5521     -0.0194 -0.0018 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0035 -0.0000 -0.0001  0.0002     -0.0000  0.0001 -0.0169  0.0004 -0.0418
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0030 -0.0413      0.0097  0.0004  0.0000  0.0000  0.0002
  0.0000  0.0000 -0.0000  0.0436 -0.0040      0.0001  0.0436  0.0000  0.0000  0.0001
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0035  0.0000 -0.0001  0.0000     -0.0000 -0.0001 -0.0164 -0.0004 -0.0436
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0030  0.0436      0.0097 -0.0004  0.0000 -0.0000 -0.0000
  0.0000  0.0002 -0.0000 -0.0413 -0.0040     -0.0001  0.0418 -0.0000 -0.0002 -0.0001
 
spin component  4
 
  0.6058 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5619  0.0000 -0.0004  0.0000      0.0000  0.0000  0.0000 -0.0475  0.0018
 -0.0001  0.0000  0.6081  0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5616 -0.0003     -0.0000  0.0475  0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0000 -0.0003  0.5701      0.0198 -0.0018  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4678  v =  0.0017 -0.5961  0.0002 -0.0468 -0.0117  0.0110 -0.1157 -0.0002 -0.0128  0.0388      0.0000 -0.0451 -0.0022  0.5887 -0.1178  0.0010  0.0103 -0.0008 -0.0950 -0.5055
  o =  0.4715  v = -0.0025 -0.1056 -0.0000 -0.0243 -0.0157  0.0038  0.5593 -0.0000 -0.0153  0.0199      0.0000 -0.0244 -0.0004  0.1277  0.5771  0.0006  0.0157  0.0023  0.5627 -0.0879
  o =  0.5687  v =  0.1630  0.5982 -0.0039  0.0087 -0.0002 -0.0302  0.0963  0.0075  0.0057  0.0009      0.0000 -0.0093  0.0026  0.5628 -0.2105  0.0016  0.0050  0.4826  0.0969 -0.0420
  o =  0.5756  v =  0.5775 -0.0966 -0.0091  0.0016 -0.0002 -0.1574  0.3185 -0.0027  0.0106  0.0079      0.0000  0.0055  0.0181 -0.2515 -0.5699 -0.0083  0.0107 -0.1764  0.2841 -0.1739
  o =  0.5821  v = -0.1772  0.2109 -0.0302  0.0192 -0.0012 -0.5776  0.2047 -0.0018  0.0218  0.0443      0.0000  0.0168  0.3610 -0.1867  0.1346 -0.0515  0.0218  0.0190 -0.3338 -0.4964
  o =  0.5851  v =  0.0921 -0.1281  0.0640  0.0101 -0.0027  0.3892  0.4331 -0.0024 -0.0411  0.0302      0.0000  0.0168  0.6201  0.1200 -0.0595 -0.0413 -0.0418 -0.0014 -0.3782  0.2828
  o =  0.6215  v =  0.3319 -0.3397 -0.0094  0.0009 -0.0000 -0.0693 -0.0982  0.0010 -0.0035  0.0019      0.0000  0.0011  0.0005 -0.3061  0.1934 -0.0012 -0.0031  0.7870 -0.0905  0.0370
  o =  0.6243  v = -0.6762 -0.1065  0.0152  0.0027 -0.0002  0.2042  0.2389 -0.0008  0.0061  0.0060      0.0000  0.0030 -0.0194 -0.2269 -0.4445  0.0075  0.0061  0.3401  0.2239 -0.1301
  o =  0.6300  v =  0.1551  0.2128  0.0273  0.0160  0.0009  0.5381  0.2256 -0.0011  0.0181  0.0389      0.0000  0.0176 -0.4318 -0.1831  0.1362  0.0455  0.0198 -0.0213 -0.3584 -0.4661
  o =  0.6335  v = -0.0923 -0.1720 -0.0409  0.0092  0.0011 -0.3819  0.4603  0.0048 -0.0332  0.0245      0.0000  0.0135 -0.5387  0.1597 -0.0917  0.0256 -0.0305  0.0125 -0.3726  0.3685
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053 -0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5573  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0000  0.0452 -0.0001
 -0.0001  0.0000  0.6075  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5572 -0.0001      0.0000 -0.0452  0.0000 -0.0000 -0.0001
 -0.0000  0.0000  0.0000 -0.0001  0.5651     -0.0198  0.0001 -0.0000  0.0001 -0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097 -0.0000
 -0.0098  0.0004 -0.0000  0.0001  0.0001     -0.0000 -0.0003 -0.0166  0.0000 -0.0442
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0166  0.0003 -0.0445      0.0097  0.0000  0.0000 -0.0003  0.0001
 -0.0000 -0.0001  0.0000  0.0437  0.0003     -0.0000  0.0438  0.0000 -0.0001 -0.0004
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0098  0.0004  0.0000  0.0001 -0.0001     -0.0000  0.0003 -0.0168 -0.0000 -0.0438
  0.0000 -0.0000  0.0000  0.0166  0.0000     -0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0168  0.0003  0.0437      0.0097 -0.0000  0.0000  0.0003  0.0001
 -0.0000  0.0001  0.0000 -0.0445  0.0003      0.0000  0.0442 -0.0000 -0.0001  0.0004
 
spin component  4
 
  0.6048  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0197
  0.0000  0.5486 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0423 -0.0001
 -0.0001 -0.0000  0.6071 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5487  0.0001      0.0000  0.0423  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0001  0.5564      0.0197  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4664  v = -0.0074  0.0243  0.0001  0.0344  0.0031  0.0001 -0.5955  0.0002  0.0026 -0.0344      0.0000  0.0323  0.0000 -0.0220 -0.5339  0.0001 -0.0042  0.0003 -0.5960  0.0241
  o =  0.4685  v =  0.0007  0.3621  0.0003  0.4498  0.0025  0.0002  0.0430 -0.0000  0.0012 -0.4471      0.0000  0.4490  0.0000 -0.3613  0.0369  0.0003 -0.0041  0.0001  0.0428  0.3598
  o =  0.5743  v = -0.0115  0.0216  0.2327 -0.0027  0.0039 -0.0369 -0.5328  0.0016 -0.2337 -0.0112      0.0000 -0.0074 -0.5270 -0.0145  0.0132  0.0107 -0.2316  0.0037  0.5212 -0.0394
  o =  0.5782  v =  0.0576 -0.1652  0.0390 -0.2783  0.0004  0.3226  0.0304 -0.0172 -0.0342 -0.5269      0.0000 -0.2465  0.0063  0.1251 -0.0546  0.5831 -0.0334 -0.0209  0.0195  0.2913
  o =  0.5808  v = -0.3704  0.3294 -0.0028  0.2617 -0.0001  0.0308 -0.1319  0.3608  0.0001 -0.0410      0.0000 -0.3028  0.0101  0.3532  0.3210  0.0532  0.0002  0.4366 -0.1484  0.0239
  o =  0.5812  v =  0.5968  0.2207  0.0048  0.1890  0.0001 -0.0177  0.2180  0.2300 -0.0018  0.0259      0.0000 -0.1649 -0.0068  0.2076 -0.5062 -0.0301 -0.0017  0.2784  0.2297 -0.0147
  o =  0.6241  v = -0.0138 -0.0201  0.7076 -0.0042  0.0007 -0.0523  0.2044 -0.0016  0.3531 -0.0123      0.0000 -0.0076 -0.4030  0.0132 -0.0067 -0.0185  0.3543  0.0071 -0.1987  0.0351
  o =  0.6265  v =  0.0619  0.1507  0.0550  0.2549  0.0005  0.3634 -0.0266 -0.0351  0.0313  0.4736      0.0000  0.2162  0.0100 -0.1167  0.0451  0.6397  0.0314 -0.0316 -0.0157 -0.2688
  o =  0.6287  v = -0.2155 -0.3449  0.0015 -0.2572 -0.0000  0.0216  0.0735  0.4354 -0.0002  0.0435      0.0000  0.3011  0.0097 -0.3643 -0.1766  0.0524 -0.0004  0.5533  0.0854 -0.0193
  o =  0.6293  v = -0.6729  0.1248 -0.0047  0.1058  0.0001  0.0231  0.2541 -0.1387 -0.0049  0.0304      0.0000 -0.0768  0.0040  0.1062 -0.5638  0.0361 -0.0047 -0.1755  0.2600 -0.0197
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5578  0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0000  0.0431 -0.0003
 -0.0001  0.0000  0.6077  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5577 -0.0001      0.0000 -0.0431  0.0000  0.0000 -0.0003
  0.0000  0.0002 -0.0000 -0.0001  0.5657     -0.0199  0.0003 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0007 -0.0000 -0.0000  0.0001     -0.0000 -0.0006 -0.0165 -0.0000 -0.0437
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165  0.0004 -0.0435      0.0098  0.0000  0.0000 -0.0007  0.0001
 -0.0000 -0.0001  0.0000  0.0425  0.0006     -0.0000  0.0424  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0097  0.0007  0.0000 -0.0000 -0.0001     -0.0000  0.0006 -0.0168 -0.0000 -0.0424
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0168  0.0004  0.0425      0.0098  0.0000  0.0000  0.0007  0.0001
 -0.0000  0.0001  0.0000 -0.0435  0.0006      0.0000  0.0437 -0.0000 -0.0001  0.0006
 
spin component  4
 
  0.6049  0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0197
  0.0000  0.5463 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0000 -0.0386 -0.0003
 -0.0001 -0.0000  0.6072 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5460  0.0001      0.0000  0.0386  0.0000 -0.0000 -0.0003
 -0.0000 -0.0001  0.0000  0.0001  0.5540      0.0197  0.0003  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4685  v =  0.0076 -0.0365 -0.0002 -0.0295  0.0025 -0.0004  0.5955 -0.0005  0.0036  0.0299      0.0000 -0.0251 -0.0001  0.0332  0.5326 -0.0005 -0.0019 -0.0004  0.5962 -0.0373
  o =  0.4712  v = -0.0010 -0.4090 -0.0007 -0.3985  0.0043 -0.0020 -0.0479 -0.0003  0.0073  0.4079      0.0000 -0.3969 -0.0000  0.4093 -0.0399 -0.0019 -0.0017  0.0001 -0.0476 -0.4198
  o =  0.5702  v =  0.0088  0.0050 -0.3511 -0.0236  0.0024  0.0018 -0.4407  0.0003  0.3990 -0.0530      0.0000 -0.0244 -0.3913  0.0072 -0.0131  0.0429  0.4008  0.0062  0.4510  0.0023
  o =  0.5769  v =  0.0616 -0.2691  0.0465 -0.2070  0.0000  0.5128  0.0281 -0.0162 -0.0425 -0.3688      0.0000 -0.1739 -0.0011  0.2297 -0.0629  0.3917 -0.0433 -0.0200  0.0300  0.4830
  o =  0.5799  v = -0.2254  0.2972  0.0060  0.3795 -0.0002  0.0455 -0.0901  0.4813 -0.0066 -0.0207      0.0000 -0.4020 -0.0027  0.3330  0.2054  0.0274 -0.0068  0.3880 -0.0851  0.0352
  o =  0.5811  v =  0.6616  0.1265  0.0084  0.1492 -0.0003 -0.0426  0.2550  0.1753 -0.0042  0.0294      0.0000 -0.1221  0.0067  0.0932 -0.5656 -0.0365 -0.0044  0.1418  0.2434 -0.0344
  o =  0.6222  v =  0.0148 -0.0003 -0.7074  0.0192  0.0019  0.0226  0.2006  0.0038 -0.3111  0.0442      0.0000  0.0233 -0.4635 -0.0135  0.0065  0.0728 -0.3094  0.0120 -0.2061 -0.0137
  o =  0.6255  v = -0.0788 -0.2243 -0.0754 -0.1810  0.0000 -0.5809  0.0256  0.0253 -0.0401 -0.3306      0.0000 -0.1562 -0.0003  0.1878 -0.0540 -0.4754 -0.0405  0.0359  0.0251  0.4041
  o =  0.6279  v =  0.1892  0.2528 -0.0159  0.3439  0.0001 -0.0478 -0.0684 -0.5755 -0.0078 -0.0204      0.0000 -0.3654  0.0037  0.2923  0.1496 -0.0247 -0.0079 -0.4421 -0.0643  0.0388
  o =  0.6295  v =  0.6821 -0.0965  0.0053 -0.1173  0.0001 -0.0443 -0.2632  0.1529  0.0049 -0.0346      0.0000  0.0841  0.0068 -0.0600  0.5685 -0.0411  0.0050  0.1190 -0.2543  0.0373
     EDDAV:  cpu time   73.8971: real time   74.6550
       DOS:  cpu time    0.0466: real time    0.0468
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.062   0.061   0.000   0.123
    2        0.062   0.061   0.000   0.123
    3        0.062   0.061   0.000   0.124
    4        0.062   0.061   0.000   0.123
    5        0.062   0.061   0.000   0.123
    6        0.062   0.061   0.000   0.123
    7        0.062   0.061   0.000   0.123
    8        0.062   0.061   0.000   0.123
    9        0.062   0.061   0.000   0.123
   10        0.062   0.061   0.000   0.123
   11        0.062   0.061   0.000   0.123
   12        0.062   0.061   0.000   0.123
   13        0.062   0.061   0.000   0.123
   14        0.062   0.061   0.000   0.123
   15        0.062   0.061   0.000   0.123
   16        0.062   0.061   0.000   0.123
   17        0.718   1.187   5.648   7.553
   18        0.718   1.186   5.605   7.510
   19        0.718   1.187   5.686   7.592
   20        0.719   1.188   5.721   7.628
   21        0.721   1.192   5.723   7.636
   22        0.721   1.192   5.723   7.636
   23        0.717   1.182   5.632   7.531
   24        0.717   1.182   5.636   7.535
   25        0.721   1.193   5.774   7.688
   26        0.721   1.193   5.797   7.712
   27        0.717   1.182   5.643   7.541
   28        0.717   1.182   5.647   7.545
   29        0.718   1.186   5.678   7.583
   30        0.718   1.187   5.620   7.526
   31        0.718   1.186   5.594   7.498
   32        0.719   1.187   5.727   7.633
   33        1.998   5.621   0.238   7.857
   34        1.997   5.621   0.238   7.856
   35        1.997   5.621   0.236   7.854
   36        1.997   5.621   0.237   7.856
   37        1.998   5.621   0.239   7.858
   38        1.998   5.621   0.238   7.857
   39        1.997   5.621   0.236   7.854
   40        1.997   5.621   0.236   7.855
   41        1.998   5.621   0.238   7.857
   42        1.997   5.621   0.238   7.856
   43        1.997   5.621   0.236   7.854
   44        1.997   5.621   0.237   7.856
   45        1.998   5.621   0.239   7.858
   46        1.998   5.621   0.238   7.857
   47        1.997   5.621   0.236   7.854
   48        1.997   5.621   0.236   7.855
   49        1.998   5.621   0.238   7.857
   50        1.998   5.621   0.238   7.857
   51        1.997   5.621   0.236   7.854
   52        1.997   5.621   0.236   7.854
   53        1.998   5.621   0.238   7.856
   54        1.997   5.621   0.238   7.857
   55        1.997   5.621   0.237   7.855
   56        1.997   5.621   0.237   7.855
   57        1.998   5.621   0.238   7.858
   58        1.998   5.621   0.238   7.857
   59        1.997   5.621   0.236   7.854
   60        1.997   5.621   0.236   7.854
   61        1.997   5.621   0.238   7.856
   62        1.997   5.621   0.238   7.857
   63        1.997   5.621   0.237   7.855
   64        1.997   5.621   0.237   7.855
   65        1.568   3.415   0.000   4.983
   66        1.567   3.410   0.000   4.977
   67        1.568   3.419   0.000   4.986
   68        1.568   3.420   0.000   4.988
   69        1.567   3.410   0.000   4.977
   70        1.568   3.415   0.000   4.983
   71        1.568   3.420   0.000   4.988
   72        1.568   3.419   0.000   4.986
   73        1.568   3.415   0.000   4.982
   74        1.567   3.409   0.000   4.977
   75        1.568   3.418   0.000   4.986
   76        1.568   3.419   0.000   4.987
   77        1.567   3.409   0.000   4.977
   78        1.568   3.415   0.000   4.982
   79        1.568   3.419   0.000   4.987
   80        1.568   3.418   0.000   4.986
   81        1.568   3.415   0.000   4.983
   82        1.568   3.411   0.000   4.979
   83        1.568   3.424   0.000   4.993
   84        1.568   3.424   0.000   4.992
   85        1.568   3.419   0.000   4.987
   86        1.568   3.419   0.000   4.987
   87        1.568   3.416   0.000   4.985
   88        1.568   3.419   0.000   4.988
   89        1.568   3.420   0.000   4.987
   90        1.568   3.420   0.000   4.988
   91        1.567   3.415   0.000   4.982
   92        1.567   3.415   0.000   4.982
   93        1.568   3.420   0.000   4.987
   94        1.568   3.420   0.000   4.987
   95        1.567   3.415   0.000   4.982
   96        1.567   3.415   0.000   4.982
   97        1.568   3.419   0.000   4.987
   98        1.568   3.420   0.000   4.987
   99        1.567   3.415   0.000   4.982
  100        1.567   3.415   0.000   4.983
  101        1.568   3.420   0.000   4.987
  102        1.568   3.419   0.000   4.987
  103        1.567   3.415   0.000   4.983
  104        1.567   3.415   0.000   4.982
  105        1.568   3.419   0.000   4.987
  106        1.568   3.419   0.000   4.987
  107        1.568   3.413   0.000   4.981
  108        1.568   3.413   0.000   4.981
  109        1.568   3.420   0.000   4.987
  110        1.568   3.420   0.000   4.988
  111        1.568   3.414   0.000   4.982
  112        1.568   3.414   0.000   4.983
  113        1.568   3.424   0.000   4.991
  114        1.568   3.426   0.000   4.994
  115        1.567   3.416   0.000   4.983
  116        1.567   3.417   0.000   4.984
  117        1.568   3.424   0.000   4.992
  118        1.568   3.426   0.000   4.993
  119        1.567   3.416   0.000   4.984
  120        1.567   3.416   0.000   4.983
  121        1.568   3.424   0.000   4.991
  122        1.568   3.426   0.000   4.994
  123        1.567   3.415   0.000   4.983
  124        1.567   3.416   0.000   4.983
  125        1.568   3.426   0.000   4.993
  126        1.568   3.424   0.000   4.992
  127        1.567   3.415   0.000   4.983
  128        1.567   3.415   0.000   4.983
  129        1.568   3.424   0.000   4.992
  130        1.568   3.426   0.000   4.994
  131        1.568   3.414   0.000   4.982
  132        1.568   3.414   0.000   4.982
  133        1.568   3.424   0.000   4.992
  134        1.568   3.426   0.000   4.994
  135        1.568   3.415   0.000   4.983
  136        1.568   3.415   0.000   4.983
  137        1.568   3.418   0.000   4.986
  138        1.568   3.411   0.000   4.979
  139        1.568   3.409   0.000   4.976
  140        1.568   3.420   0.000   4.988
  141        1.568   3.418   0.000   4.986
  142        1.568   3.411   0.000   4.979
  143        1.568   3.409   0.000   4.976
  144        1.568   3.420   0.000   4.988
  145        1.568   3.418   0.000   4.986
  146        1.568   3.411   0.000   4.979
  147        1.568   3.409   0.000   4.976
  148        1.568   3.421   0.000   4.988
  149        1.568   3.418   0.000   4.986
  150        1.568   3.411   0.000   4.979
  151        1.568   3.409   0.000   4.976
  152        1.568   3.421   0.000   4.988
  153        1.568   3.420   0.000   4.988
  154        1.568   3.412   0.000   4.980
  155        1.568   3.413   0.000   4.981
  156        1.568   3.426   0.000   4.995
  157        1.568   3.421   0.000   4.989
  158        1.568   3.408   0.000   4.976
  159        1.568   3.416   0.000   4.985
  160        1.568   3.425   0.000   4.994
--------------------------------------------------
tot        226.910 527.915  98.449 853.275
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6       -0.000  -0.000   0.000  -0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000  -0.000   0.000   0.000
   10       -0.000  -0.000   0.000  -0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000  -0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17        0.000   0.000   0.014   0.014
   18       -0.000  -0.000  -0.017  -0.017
   19        0.000   0.000   0.004   0.004
   20        0.000   0.000   0.005   0.005
   21       -0.000  -0.000  -0.019  -0.019
   22       -0.000  -0.000  -0.025  -0.026
   23        0.000   0.000   0.046   0.047
   24        0.000   0.000   0.015   0.015
   25       -0.000  -0.000  -0.020  -0.020
   26       -0.000  -0.000  -0.028  -0.028
   27        0.000   0.000   0.043   0.044
   28        0.000   0.000   0.018   0.019
   29        0.000   0.000   0.006   0.007
   30       -0.000  -0.000  -0.020  -0.020
   31        0.000   0.000   0.002   0.003
   32        0.000   0.000   0.004   0.004
   33       -0.000   0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.001
   35        0.000   0.000   0.000   0.001
   36        0.000  -0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38       -0.000   0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000   0.000   0.000   0.001
   41       -0.000   0.000  -0.000  -0.000
   42       -0.000   0.000  -0.000  -0.000
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.001
   45       -0.000   0.000  -0.000  -0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000  -0.000   0.000   0.000
   48        0.000   0.000   0.000   0.000
   49       -0.000  -0.000  -0.000  -0.000
   50       -0.000  -0.000  -0.000  -0.000
   51        0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58       -0.000  -0.000  -0.000  -0.000
   59        0.000   0.000   0.000   0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66       -0.000  -0.001   0.000  -0.001
   67        0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69       -0.000  -0.001   0.000  -0.001
   70        0.000   0.001   0.000   0.001
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74       -0.000  -0.001   0.000  -0.001
   75        0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77       -0.000  -0.001   0.000  -0.001
   78        0.000   0.001   0.000   0.001
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.001   0.000   0.001
   82       -0.000  -0.000   0.000  -0.000
   83       -0.000  -0.000   0.000  -0.000
   84       -0.000  -0.000   0.000  -0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.001   0.000  -0.001
   88        0.000   0.000   0.000   0.000
   89       -0.000  -0.001   0.000  -0.001
   90       -0.000  -0.002   0.000  -0.002
   91        0.000   0.003   0.000   0.003
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.002   0.000  -0.002
   94       -0.000  -0.001   0.000  -0.001
   95        0.000   0.001   0.000   0.001
   96        0.000   0.003   0.000   0.003
   97       -0.000  -0.001   0.000  -0.001
   98       -0.000  -0.002   0.000  -0.002
   99        0.000   0.003   0.000   0.003
  100        0.000   0.001   0.000   0.001
  101       -0.000  -0.001   0.000  -0.001
  102       -0.000  -0.001   0.000  -0.001
  103        0.000   0.003   0.000   0.003
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.001   0.000  -0.001
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.002   0.000   0.002
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.001   0.000  -0.001
  110       -0.000  -0.001   0.000  -0.001
  111        0.000   0.002   0.000   0.002
  112        0.000   0.001   0.000   0.001
  113       -0.000  -0.001   0.000  -0.001
  114       -0.000  -0.002   0.000  -0.002
  115        0.000   0.003   0.000   0.003
  116        0.000   0.001   0.000   0.001
  117       -0.000  -0.001   0.000  -0.001
  118       -0.000  -0.002   0.000  -0.002
  119        0.000   0.003   0.000   0.003
  120        0.000   0.001   0.000   0.001
  121       -0.000  -0.001   0.000  -0.001
  122       -0.000  -0.002   0.000  -0.002
  123        0.000   0.003   0.000   0.003
  124        0.000   0.001   0.000   0.001
  125       -0.000  -0.002   0.000  -0.002
  126       -0.000  -0.001   0.000  -0.001
  127        0.000   0.001   0.000   0.001
  128        0.000   0.003   0.000   0.003
  129       -0.000  -0.001   0.000  -0.001
  130       -0.000  -0.002   0.000  -0.002
  131        0.000   0.002   0.000   0.002
  132        0.000   0.001   0.000   0.001
  133       -0.000  -0.001   0.000  -0.001
  134       -0.000  -0.002   0.000  -0.002
  135        0.000   0.002   0.000   0.002
  136        0.000   0.001   0.000   0.001
  137        0.000   0.000   0.000   0.000
  138       -0.000  -0.001   0.000  -0.001
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141        0.000   0.000   0.000   0.000
  142       -0.000  -0.001   0.000  -0.001
  143       -0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145        0.000   0.000   0.000   0.000
  146       -0.000  -0.001   0.000  -0.001
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149        0.000   0.000   0.000   0.000
  150       -0.000  -0.001   0.000  -0.001
  151       -0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153        0.000   0.001   0.000   0.001
  154       -0.000  -0.001   0.000  -0.001
  155       -0.000  -0.000   0.000  -0.000
  156       -0.000  -0.000   0.000  -0.000
  157        0.000   0.001   0.000   0.001
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.001   0.000  -0.001
  160       -0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.001   0.010   0.029   0.041
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000  -0.000   0.000  -0.000
    3       -0.000   0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000  -0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14       -0.000  -0.000   0.000  -0.000
   15       -0.000   0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.014  -0.015
   18        0.000   0.000   0.000   0.000
   19        0.000   0.000   0.002   0.002
   20        0.000   0.000   0.007   0.007
   21       -0.000  -0.000  -0.001  -0.001
   22       -0.000  -0.000  -0.008  -0.008
   23        0.000   0.000   0.007   0.007
   24        0.000   0.000   0.007   0.007
   25       -0.000  -0.000  -0.001  -0.002
   26       -0.000  -0.000  -0.008  -0.008
   27        0.000   0.000   0.006   0.007
   28        0.000   0.000   0.005   0.005
   29       -0.000  -0.000  -0.008  -0.008
   30       -0.000  -0.000  -0.001  -0.001
   31        0.000   0.000   0.002   0.002
   32        0.000   0.000   0.004   0.004
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37       -0.000   0.000   0.000   0.000
   38        0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000  -0.000  -0.000  -0.000
   41       -0.000   0.000  -0.000  -0.000
   42       -0.000   0.000   0.000   0.000
   43        0.000  -0.000   0.000   0.000
   44        0.000  -0.000   0.000   0.000
   45       -0.000   0.000   0.000   0.000
   46       -0.000   0.000   0.000   0.000
   47        0.000   0.000   0.000   0.000
   48       -0.000   0.000  -0.000  -0.000
   49       -0.000  -0.000  -0.000  -0.000
   50        0.000  -0.000  -0.000  -0.000
   51       -0.000   0.000   0.000  -0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58        0.000  -0.000  -0.000  -0.000
   59       -0.000  -0.000  -0.000  -0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66        0.000  -0.000   0.000  -0.000
   67        0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69       -0.000  -0.000   0.000  -0.000
   70       -0.000  -0.001   0.000  -0.001
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75        0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77       -0.000   0.000   0.000   0.000
   78       -0.000  -0.001   0.000  -0.001
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83        0.000   0.000   0.000   0.000
   84        0.000   0.000   0.000   0.000
   85        0.000   0.000   0.000   0.000
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.000   0.000  -0.000
   88       -0.000  -0.001   0.000  -0.001
   89       -0.000  -0.000   0.000  -0.000
   90       -0.000  -0.001   0.000  -0.001
   91        0.000   0.001   0.000   0.001
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.001   0.000  -0.001
   94        0.000  -0.000   0.000  -0.000
   95        0.000   0.000   0.000   0.000
   96        0.000   0.001   0.000   0.001
   97        0.000  -0.000   0.000  -0.000
   98       -0.000  -0.000   0.000  -0.000
   99        0.000   0.000   0.000   0.000
  100        0.000   0.000   0.000   0.000
  101        0.000   0.000   0.000   0.000
  102       -0.000  -0.000   0.000  -0.000
  103        0.000   0.000   0.000   0.000
  104        0.000   0.000   0.000   0.000
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.000   0.000  -0.001
  107        0.000   0.000   0.000   0.000
  108        0.000   0.000   0.000   0.000
  109        0.000  -0.000   0.000  -0.000
  110       -0.000  -0.000   0.000  -0.000
  111        0.000   0.000   0.000   0.000
  112        0.000   0.000   0.000   0.000
  113        0.000  -0.000   0.000  -0.000
  114       -0.000  -0.001   0.000  -0.001
  115        0.000   0.001   0.000   0.001
  116        0.000   0.000   0.000   0.000
  117       -0.000  -0.000   0.000  -0.000
  118       -0.000  -0.001   0.000  -0.001
  119        0.000   0.001   0.000   0.001
  120        0.000   0.000   0.000   0.000
  121        0.000   0.000   0.000   0.000
  122       -0.000  -0.000   0.000  -0.001
  123        0.000   0.000   0.000   0.000
  124        0.000   0.000   0.000   0.000
  125       -0.000  -0.000   0.000  -0.000
  126        0.000  -0.000   0.000  -0.000
  127        0.000   0.000   0.000   0.000
  128        0.000   0.000   0.000   0.000
  129       -0.000  -0.000   0.000  -0.000
  130       -0.000  -0.001   0.000  -0.001
  131        0.000   0.000   0.000   0.000
  132        0.000   0.000   0.000   0.000
  133       -0.000  -0.000   0.000  -0.000
  134       -0.000  -0.000   0.000  -0.000
  135        0.000   0.000   0.000   0.000
  136        0.000   0.000   0.000   0.000
  137       -0.000  -0.000   0.000  -0.000
  138       -0.000  -0.000   0.000  -0.000
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141       -0.000  -0.000   0.000  -0.000
  142       -0.000  -0.000   0.000  -0.000
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145       -0.000  -0.001   0.000  -0.001
  146       -0.000   0.000   0.000   0.000
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149       -0.000  -0.001   0.000  -0.001
  150        0.000   0.000   0.000   0.000
  151       -0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.000   0.000   0.000
  155       -0.000   0.000   0.000   0.000
  156        0.000   0.000   0.000   0.000
  157        0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000  -0.000   0.000  -0.000
  160       -0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.000  -0.001  -0.001  -0.002
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2        0.000   0.000   0.000   0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000   0.000   0.000  -0.000
    8       -0.000   0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000   0.000   0.000  -0.000
   12       -0.000   0.000   0.000  -0.000
   13       -0.000   0.000   0.000   0.000
   14       -0.000   0.000   0.000  -0.000
   15        0.000  -0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17       -0.000  -0.000  -0.051  -0.051
   18       -0.000  -0.000  -0.036  -0.037
   19        0.000   0.000   0.039   0.039
   20        0.000   0.000   0.060   0.061
   21        0.000   0.000   0.032   0.032
   22       -0.000  -0.000  -0.003  -0.003
   23       -0.000  -0.000  -0.015  -0.015
   24       -0.000  -0.000  -0.028  -0.028
   25        0.000   0.000   0.033   0.033
   26       -0.000  -0.000  -0.003  -0.003
   27       -0.000  -0.000  -0.018  -0.018
   28       -0.000  -0.000  -0.022  -0.022
   29       -0.000  -0.000  -0.029  -0.030
   30       -0.000  -0.000  -0.051  -0.052
   31        0.000   0.000   0.025   0.025
   32        0.000   0.000   0.039   0.039
   33       -0.000   0.000   0.000  -0.000
   34       -0.000   0.000  -0.000  -0.000
   35        0.000  -0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37        0.000  -0.000   0.000   0.000
   38        0.000  -0.000   0.001   0.001
   39       -0.000  -0.000  -0.001  -0.001
   40       -0.000   0.000  -0.000  -0.000
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000   0.000  -0.000  -0.000
   43        0.000  -0.000  -0.000  -0.000
   44        0.000   0.000   0.000   0.000
   45        0.000  -0.000   0.000   0.001
   46        0.000  -0.000   0.000   0.000
   47       -0.000   0.000  -0.000  -0.000
   48       -0.000  -0.000  -0.001  -0.001
   49        0.000   0.000   0.000   0.001
   50        0.000   0.000   0.001   0.001
   51       -0.000  -0.000  -0.001  -0.001
   52       -0.000  -0.000  -0.000  -0.001
   53       -0.000   0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57        0.000   0.000   0.000   0.001
   58        0.000   0.000   0.001   0.001
   59       -0.000  -0.000  -0.001  -0.001
   60       -0.000  -0.000  -0.000  -0.001
   61       -0.000   0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.003   0.000  -0.003
   66       -0.000  -0.002   0.000  -0.002
   67        0.000   0.002   0.000   0.002
   68        0.000   0.004   0.000   0.004
   69       -0.000  -0.002   0.000  -0.002
   70       -0.000  -0.003   0.000  -0.003
   71        0.000   0.004   0.000   0.004
   72        0.000   0.002   0.000   0.002
   73       -0.000  -0.003   0.000  -0.003
   74       -0.000  -0.002   0.000  -0.002
   75        0.000   0.002   0.000   0.002
   76        0.000   0.004   0.000   0.004
   77       -0.000  -0.002   0.000  -0.002
   78       -0.000  -0.003   0.000  -0.003
   79        0.000   0.004   0.000   0.004
   80        0.000   0.002   0.000   0.002
   81       -0.000  -0.003   0.000  -0.003
   82       -0.000  -0.002   0.000  -0.002
   83        0.000   0.003   0.000   0.003
   84        0.000   0.004   0.000   0.004
   85        0.000   0.003   0.000   0.004
   86        0.000   0.002   0.000   0.002
   87       -0.000  -0.002   0.000  -0.002
   88       -0.000  -0.003   0.000  -0.003
   89        0.000   0.002   0.000   0.002
   90       -0.000  -0.000   0.000  -0.000
   91       -0.000  -0.001   0.000  -0.001
   92       -0.000  -0.002   0.000  -0.002
   93       -0.000  -0.000   0.000  -0.000
   94        0.000   0.002   0.000   0.002
   95       -0.000  -0.002   0.000  -0.002
   96       -0.000  -0.001   0.000  -0.001
   97        0.000   0.002   0.000   0.002
   98       -0.000  -0.000   0.000  -0.000
   99       -0.000  -0.001   0.000  -0.001
  100       -0.000  -0.002   0.000  -0.002
  101        0.000   0.002   0.000   0.002
  102       -0.000  -0.000   0.000  -0.000
  103       -0.000  -0.001   0.000  -0.001
  104       -0.000  -0.002   0.000  -0.002
  105        0.000   0.001   0.000   0.001
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.000   0.000   0.000
  108       -0.000  -0.001   0.000  -0.001
  109        0.000   0.003   0.000   0.003
  110        0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.002   0.000  -0.002
  113        0.000   0.002   0.000   0.002
  114       -0.000  -0.000   0.000  -0.000
  115       -0.000  -0.001   0.000  -0.001
  116       -0.000  -0.001   0.000  -0.001
  117        0.000   0.002   0.000   0.002
  118       -0.000  -0.000   0.000  -0.000
  119       -0.000  -0.001   0.000  -0.001
  120       -0.000  -0.001   0.000  -0.001
  121        0.000   0.002   0.000   0.002
  122       -0.000  -0.000   0.000  -0.000
  123       -0.000  -0.001   0.000  -0.001
  124       -0.000  -0.001   0.000  -0.001
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.002   0.000   0.002
  127       -0.000  -0.001   0.000  -0.001
  128       -0.000  -0.001   0.000  -0.001
  129       -0.000   0.001   0.000   0.001
  130       -0.000  -0.001   0.000  -0.001
  131        0.000  -0.000   0.000  -0.000
  132        0.000  -0.000   0.000  -0.000
  133        0.000   0.003   0.000   0.003
  134        0.000   0.000   0.000   0.000
  135       -0.000  -0.001   0.000  -0.001
  136       -0.000  -0.002   0.000  -0.002
  137       -0.000  -0.002   0.000  -0.002
  138       -0.000  -0.003   0.000  -0.003
  139        0.000   0.001   0.000   0.001
  140        0.000   0.002   0.000   0.003
  141       -0.000  -0.002   0.000  -0.002
  142       -0.000  -0.003   0.000  -0.003
  143        0.000   0.001   0.000   0.001
  144        0.000   0.002   0.000   0.002
  145       -0.000  -0.002   0.000  -0.002
  146       -0.000  -0.003   0.000  -0.003
  147        0.000   0.001   0.000   0.001
  148        0.000   0.003   0.000   0.003
  149       -0.000  -0.002   0.000  -0.002
  150       -0.000  -0.003   0.000  -0.003
  151        0.000   0.001   0.000   0.001
  152        0.000   0.002   0.000   0.002
  153       -0.000  -0.002   0.000  -0.002
  154       -0.000  -0.003   0.000  -0.003
  155        0.000   0.001   0.000   0.001
  156        0.000   0.002   0.000   0.002
  157        0.000   0.002   0.000   0.002
  158       -0.000   0.001   0.000   0.001
  159       -0.000  -0.002   0.000  -0.002
  160       -0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.001  -0.006  -0.030  -0.037
 
    CHARGE:  cpu time    1.1954: real time    1.2066
    MIXING:  cpu time    0.0360: real time    0.0363
    --------------------------------------------
      LOOP:  cpu time   76.0890: real time   76.8655

 eigenvalue-minimisations  : 13216
 total energy-change (2. order) : 0.2164511E-01  (-0.9505594E-02)
 number of electron    1039.9999693 magnetization       0.0409678     -0.0011428     -0.0543857
 augmentation part       28.4954744 magnetization       0.0106699      0.0010699     -0.0276321

 Broyden mixing:
  rms(total) = 0.39885E+00    rms(broyden)= 0.39884E+00
  rms(prec ) = 0.43082E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6321
  2.3229  2.3229  0.8585  0.8585  0.7046  0.5390  0.3976  0.3976  0.2369  0.1783
  0.1783  0.1497  0.0951  0.1193  0.1224

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17416.10746345
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.49686772
  PAW double counting   =     84247.82493608   -83068.51134462
  entropy T*S    EENTRO =        -0.15379163
  eigenvalues    EBANDS =     -6098.32671383
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.25017592 eV

  energy without entropy =    -1066.09638429  energy(sigma->0) =    -1066.19891204


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  21)  ---------------------------------------


    POTLOK:  cpu time    0.4727: real time    0.4776
    SETDIJ:  cpu time    0.4420: real time    0.4441
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054 -0.0001 -0.0000  0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0194
 -0.0001  0.5442 -0.0001  0.0001 -0.0001      0.0000 -0.0000 -0.0000  0.0383 -0.0013
 -0.0000 -0.0001  0.6078  0.0000  0.0001      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5451 -0.0000      0.0000 -0.0383 -0.0000  0.0000  0.0013
 -0.0000 -0.0001  0.0001 -0.0000  0.5527     -0.0194  0.0013 -0.0000 -0.0013 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0023 -0.0000 -0.0003  0.0001     -0.0000  0.0020 -0.0169 -0.0003 -0.0418
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0001
 -0.0000 -0.0004  0.0169  0.0017 -0.0411      0.0097 -0.0002  0.0000  0.0024  0.0001
  0.0001  0.0001  0.0000  0.0438  0.0027     -0.0001  0.0435 -0.0001  0.0001  0.0029
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0023 -0.0000 -0.0004  0.0001     -0.0000 -0.0020 -0.0164  0.0002 -0.0435
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0017  0.0438      0.0097  0.0003  0.0000 -0.0024 -0.0001
  0.0001  0.0001  0.0000 -0.0411  0.0027      0.0001  0.0418  0.0001 -0.0001 -0.0029
 
spin component  4
 
  0.6064  0.0001 -0.0000 -0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0001  0.5617  0.0000 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0467 -0.0014
 -0.0000  0.0000  0.6086 -0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000  0.0000
 -0.0001 -0.0001 -0.0000  0.5617  0.0000      0.0000  0.0467 -0.0000 -0.0000  0.0013
  0.0000  0.0001  0.0001  0.0000  0.5697      0.0198  0.0014 -0.0000 -0.0013 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4685  v = -0.0015 -0.3921  0.0020  0.4499 -0.0028  0.0068  0.0896  0.0002 -0.0120 -0.3881      0.0000  0.4502 -0.0003  0.3879  0.1017 -0.0078 -0.0068 -0.0002  0.0914 -0.3363
  o =  0.4723  v =  0.0027 -0.0597  0.0004  0.0693  0.0124  0.0021 -0.5653 -0.0018  0.0102 -0.0589      0.0000  0.0855 -0.0001  0.0728 -0.5805 -0.0024 -0.0141  0.0014 -0.5621 -0.0502
  o =  0.5688  v = -0.1388  0.4236  0.0012 -0.4334  0.0002 -0.0260 -0.0845 -0.3496  0.0019 -0.0142      0.0000  0.4165 -0.0014  0.3939  0.1824  0.0112  0.0008  0.3367 -0.0816 -0.0356
  o =  0.5759  v = -0.5772 -0.0500 -0.0276  0.0416  0.0002 -0.1139 -0.2871  0.1066  0.0248 -0.1429      0.0000 -0.1673  0.0161 -0.1628  0.5760  0.1286  0.0250 -0.1074 -0.3205 -0.1265
  o =  0.5824  v = -0.1885 -0.1244  0.3971  0.1678 -0.0004  0.3460 -0.0972  0.0225 -0.2992  0.3646      0.0000  0.1284 -0.0353  0.1176  0.1454 -0.4216 -0.2987 -0.0035 -0.0443  0.2990
  o =  0.5850  v = -0.1046 -0.1093 -0.5845  0.0897  0.0004  0.3353 -0.0776  0.0078  0.3926  0.1981      0.0000  0.0835 -0.0658  0.1118  0.0701 -0.2643  0.3921 -0.0026  0.0110  0.2511
  o =  0.6219  v = -0.2938 -0.2355 -0.0020  0.2514 -0.0001 -0.0516  0.0814 -0.5917  0.0030  0.0191      0.0000 -0.2314  0.0014 -0.2103 -0.1692  0.0375  0.0031  0.5474  0.0833  0.0282
  o =  0.6247  v =  0.6902 -0.0579  0.0353  0.0579  0.0001  0.1474 -0.2179 -0.2180  0.0200 -0.1042      0.0000 -0.1530 -0.0287 -0.1436  0.4496 -0.1647  0.0201  0.2063 -0.2490 -0.0925
  o =  0.6303  v = -0.1678  0.1191  0.4698 -0.1658 -0.0000  0.3093  0.1058  0.0291  0.3148 -0.3443      0.0000 -0.1297 -0.0520 -0.1073 -0.1445 -0.4025  0.3138 -0.0124  0.0359 -0.2649
  o =  0.6333  v = -0.1009  0.1453 -0.5134 -0.1137  0.0004  0.3373  0.1008  0.0036 -0.3872 -0.2408      0.0000 -0.1030 -0.0701 -0.1413 -0.0986 -0.2558 -0.3861 -0.0014 -0.0052 -0.3171
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6050  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0194
  0.0001  0.5464  0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0000  0.0386  0.0015
 -0.0000  0.0000  0.6072 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5461  0.0003     -0.0000 -0.0386 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.0003  0.5538     -0.0194 -0.0015 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0001  0.0097  0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0096 -0.0029 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0168  0.0003 -0.0415
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0167 -0.0025 -0.0417      0.0097  0.0003  0.0000  0.0001 -0.0000
 -0.0000 -0.0000 -0.0000  0.0427 -0.0032      0.0001  0.0429  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0001 -0.0096 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0029  0.0000  0.0000 -0.0000     -0.0000 -0.0000 -0.0164 -0.0003 -0.0429
  0.0000 -0.0000 -0.0002  0.0167 -0.0000     -0.0000  0.0168 -0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0164 -0.0025  0.0427      0.0097 -0.0003  0.0000 -0.0001  0.0000
  0.0000 -0.0000 -0.0000 -0.0417 -0.0032     -0.0001  0.0415 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6057 -0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0197
 -0.0001  0.5590 -0.0000  0.0000  0.0000      0.0000 -0.0000  0.0000 -0.0447  0.0016
 -0.0000 -0.0000  0.6079  0.0000 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5587 -0.0003     -0.0000  0.0447  0.0000 -0.0000  0.0000
  0.0000  0.0000 -0.0000 -0.0003  0.5662      0.0197 -0.0016  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4695  v = -0.0015  0.5842 -0.0001  0.0167 -0.0048 -0.0078  0.1371 -0.0000 -0.0041 -0.0147      0.0000  0.0165  0.0018 -0.5809  0.1392 -0.0002  0.0047  0.0005  0.1209  0.5173
  o =  0.4721  v =  0.0017  0.1314  0.0000 -0.0044 -0.0133 -0.0032 -0.5562 -0.0001 -0.0133  0.0032      0.0000 -0.0039  0.0006 -0.1495 -0.5666  0.0001  0.0130 -0.0019 -0.5623  0.1150
  o =  0.5700  v = -0.1458 -0.5934 -0.0019 -0.0073 -0.0003  0.0181 -0.0852 -0.0060  0.0023 -0.0009      0.0000  0.0068 -0.0042 -0.5698  0.1826  0.0004  0.0018 -0.5037 -0.0810  0.0230
  o =  0.5761  v =  0.5733 -0.0470  0.0053 -0.0064 -0.0001 -0.2054  0.3425 -0.0023 -0.0042 -0.0096      0.0000 -0.0018  0.0533 -0.2451 -0.5630  0.0091 -0.0045 -0.1519  0.2413 -0.2193
  o =  0.5804  v =  0.2087 -0.2019 -0.0120  0.0096  0.0010  0.4568 -0.2769 -0.0002  0.0094  0.0237      0.0000  0.0108 -0.4502  0.1457 -0.1743 -0.0259  0.0105 -0.0362  0.4465  0.4167
  o =  0.5827  v =  0.1239 -0.1882 -0.0067  0.0032 -0.0008  0.4824  0.4129  0.0025  0.0054  0.0043      0.0000  0.0005  0.5049  0.1598 -0.0918 -0.0057  0.0047 -0.0149 -0.3247  0.3890
  o =  0.6219  v = -0.2812  0.3584 -0.0039  0.0039  0.0002  0.0553  0.0908 -0.0099 -0.0023 -0.0006      0.0000 -0.0046 -0.0134  0.3285 -0.1676  0.0001 -0.0020 -0.7993  0.0708 -0.0305
  o =  0.6246  v =  0.6762  0.0670  0.0019  0.0042 -0.0000 -0.2513 -0.2664 -0.0036  0.0015  0.0047      0.0000  0.0000  0.0682  0.2198  0.4520  0.0078  0.0015 -0.2847 -0.1967  0.1643
  o =  0.6281  v = -0.1972 -0.1773  0.0082  0.0052 -0.0001 -0.4436 -0.2698  0.0023  0.0053  0.0144      0.0000  0.0076  0.5559  0.1331 -0.1583  0.0180  0.0050  0.0310  0.4246  0.3554
  o =  0.6306  v = -0.1263 -0.2144  0.0058  0.0039  0.0004 -0.5018  0.3844 -0.0025  0.0038  0.0049      0.0000  0.0004 -0.4747  0.1849 -0.1132  0.0057  0.0042  0.0239 -0.2744  0.4361
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5595 -0.0000  0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0449 -0.0003
 -0.0000 -0.0000  0.6080  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5596 -0.0001      0.0000 -0.0449  0.0000 -0.0000 -0.0002
  0.0000  0.0001  0.0000 -0.0001  0.5672     -0.0198  0.0003 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097 -0.0000
 -0.0097  0.0006 -0.0000 -0.0000  0.0000     -0.0000 -0.0003 -0.0165 -0.0000 -0.0439
 -0.0000 -0.0000  0.0000 -0.0169  0.0000      0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0165  0.0005 -0.0438      0.0097 -0.0000  0.0000 -0.0004  0.0000
 -0.0000  0.0000  0.0000  0.0426  0.0006     -0.0000  0.0425  0.0000  0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0097 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097  0.0000
  0.0097  0.0006 -0.0000 -0.0000  0.0000     -0.0000  0.0003 -0.0169  0.0000 -0.0425
  0.0000 -0.0000  0.0000  0.0165  0.0000     -0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0005  0.0426      0.0097  0.0000  0.0000  0.0004 -0.0000
 -0.0000  0.0000  0.0000 -0.0438  0.0006      0.0000  0.0439 -0.0000 -0.0000  0.0003
 
spin component  4
 
  0.6051  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5468  0.0000 -0.0001 -0.0001     -0.0000 -0.0000 -0.0000 -0.0394 -0.0003
 -0.0000  0.0000  0.6074 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5466  0.0001      0.0000  0.0394  0.0000 -0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5548      0.0196  0.0003  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4683  v =  0.0084 -0.0224 -0.0000 -0.0131  0.0030 -0.0003  0.5987 -0.0003  0.0036  0.0131      0.0000 -0.0108 -0.0001  0.0188  0.5299 -0.0002 -0.0030 -0.0004  0.5991 -0.0226
  o =  0.4714  v = -0.0007 -0.4505 -0.0005 -0.3540  0.0030 -0.0019 -0.0252 -0.0000  0.0057  0.3609      0.0000 -0.3538  0.0002  0.4508 -0.0209 -0.0014 -0.0013  0.0000 -0.0267 -0.4596
  o =  0.5713  v = -0.0038 -0.0107  0.2972  0.0194 -0.0006  0.0131  0.4935  0.0003 -0.3309  0.0419      0.0000  0.0187  0.4443  0.0032  0.0048 -0.0347 -0.3316 -0.0039 -0.4971  0.0157
  o =  0.5775  v = -0.0439  0.2962 -0.0324  0.1004  0.0001 -0.6146  0.0000 -0.0045  0.0295  0.2029      0.0000  0.1077  0.0224 -0.2925  0.0444 -0.2173  0.0302  0.0017 -0.0408 -0.5744
  o =  0.5816  v =  0.5366 -0.2560 -0.0016 -0.1977 -0.0001 -0.0363  0.2008 -0.2628  0.0021  0.0072      0.0000  0.2041  0.0034 -0.2832 -0.4599 -0.0098  0.0024 -0.3523  0.1956 -0.0280
  o =  0.5823  v =  0.4624  0.3249  0.0034  0.2391 -0.0002 -0.0299  0.1711  0.3132 -0.0024  0.0122      0.0000 -0.2277  0.0039  0.3022 -0.3835 -0.0154 -0.0027  0.4206  0.1647 -0.0234
  o =  0.6228  v =  0.0051 -0.0021 -0.7185  0.0184  0.0003  0.0059  0.1956  0.0021 -0.3222  0.0409      0.0000  0.0208 -0.4382 -0.0061  0.0024  0.0660 -0.3220  0.0068 -0.1975 -0.0039
  o =  0.6258  v = -0.0530 -0.2511 -0.0571 -0.1022 -0.0002 -0.6920 -0.0008 -0.0034 -0.0304 -0.2058      0.0000 -0.1067  0.0333  0.2433 -0.0361 -0.2925 -0.0307  0.0070  0.0347  0.4873
  o =  0.6296  v =  0.3965  0.3026 -0.0062  0.2431 -0.0001 -0.0285 -0.1496 -0.3739 -0.0030 -0.0055      0.0000 -0.2483  0.0020  0.3263  0.3316 -0.0060 -0.0033 -0.4782 -0.1470  0.0241
  o =  0.6303  v = -0.5798  0.2298 -0.0037  0.1759 -0.0002  0.0328  0.2272 -0.2485 -0.0021  0.0160      0.0000 -0.1607 -0.0040  0.2016 -0.4970  0.0185 -0.0025 -0.3183  0.2221 -0.0290
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5630  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0471 -0.0004
 -0.0000  0.0000  0.6083  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5628 -0.0000      0.0000 -0.0471  0.0000 -0.0000 -0.0006
  0.0000  0.0000  0.0000 -0.0000  0.5708     -0.0198  0.0004 -0.0000  0.0006  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008  0.0000  0.0002 -0.0001     -0.0000 -0.0009 -0.0164 -0.0000 -0.0438
  0.0000  0.0000  0.0000 -0.0170  0.0000     -0.0000  0.0170 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0164  0.0005 -0.0439      0.0097 -0.0000  0.0000 -0.0011 -0.0001
 -0.0000 -0.0001  0.0000  0.0419  0.0009     -0.0000  0.0418  0.0000 -0.0001 -0.0012
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0001 -0.0001     -0.0000  0.0009 -0.0170  0.0000 -0.0418
  0.0000  0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0170  0.0005  0.0419      0.0097  0.0000  0.0000  0.0011  0.0001
 -0.0000 -0.0001  0.0000 -0.0439  0.0009      0.0000  0.0438 -0.0000  0.0001  0.0012
 
spin component  4
 
  0.6050  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5436 -0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0379 -0.0004
 -0.0000 -0.0000  0.6075 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5436  0.0000      0.0000  0.0379  0.0000 -0.0000 -0.0005
  0.0000 -0.0001  0.0000  0.0000  0.5523      0.0195  0.0004  0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v = -0.0112  0.0216  0.0001  0.0370  0.0022  0.0004 -0.6038  0.0007  0.0022 -0.0379      0.0000  0.0304  0.0001 -0.0178 -0.5147  0.0005 -0.0029  0.0004 -0.6045  0.0222
  o =  0.4721  v =  0.0013  0.3148  0.0008  0.4720  0.0020  0.0022  0.0457  0.0001 -0.0014 -0.4930      0.0000  0.4715  0.0004 -0.3153  0.0334  0.0034 -0.0061 -0.0001  0.0420  0.3291
  o =  0.5681  v = -0.0011  0.0047 -0.2652 -0.0260  0.0005 -0.0024 -0.5165  0.0010  0.3250 -0.0623      0.0000 -0.0296 -0.4209  0.0012  0.0003  0.0470  0.3257  0.0035  0.5161 -0.0031
  o =  0.5762  v =  0.0694 -0.1934  0.0484 -0.2682  0.0002  0.3670  0.0492 -0.0056 -0.0466 -0.4973      0.0000 -0.2564  0.0169  0.1819 -0.0752  0.5130 -0.0467 -0.0059  0.0171  0.3556
  o =  0.5830  v =  0.6890 -0.0620 -0.0064 -0.0911  0.0001 -0.0491  0.2325 -0.1598  0.0061  0.0490      0.0000  0.1395 -0.0033 -0.0971 -0.5702 -0.0675  0.0059 -0.1105  0.2378 -0.0358
  o =  0.5848  v =  0.2081  0.2675  0.0015  0.3868 -0.0001 -0.0067  0.0684  0.5747 -0.0026  0.0092      0.0000 -0.3791  0.0019  0.2630 -0.1562 -0.0125 -0.0021  0.3981  0.0673 -0.0045
  o =  0.6217  v = -0.0034 -0.0188  0.8513 -0.0169  0.0002 -0.0736 -0.0486 -0.0052  0.3465 -0.0411      0.0000 -0.0232  0.1208  0.0225 -0.0010 -0.0704  0.3467 -0.0007  0.0496  0.0428
  o =  0.6247  v =  0.0883  0.1580  0.0968  0.2174 -0.0001  0.4442 -0.0418 -0.0088  0.0476  0.4113      0.0000  0.2088  0.0322 -0.1493  0.0566  0.6161  0.0478 -0.0083 -0.0102 -0.2965
  o =  0.6312  v = -0.6463 -0.0782  0.0094 -0.1125 -0.0000  0.0431  0.2471  0.1979  0.0055  0.0533      0.0000  0.1651  0.0037 -0.1169 -0.5743  0.0585  0.0053  0.1391  0.2518 -0.0391
  o =  0.6330  v =  0.2271 -0.2829  0.0038 -0.4019 -0.0001 -0.0083 -0.0969  0.5263  0.0021 -0.0136      0.0000  0.3895  0.0010 -0.2752  0.2139 -0.0142  0.0014  0.3713 -0.0946  0.0079
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0193
  0.0001  0.5559 -0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0000  0.0425  0.0014
 -0.0001 -0.0000  0.6089 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0000  0.5559  0.0002     -0.0000 -0.0425 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.0002  0.5646     -0.0193 -0.0014 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0001  0.0095 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0029 -0.0000  0.0001  0.0001     -0.0000  0.0002 -0.0161  0.0002 -0.0394
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000 -0.0000
  0.0000  0.0000  0.0161 -0.0024 -0.0394      0.0095  0.0004  0.0000  0.0003  0.0001
  0.0000 -0.0000 -0.0000  0.0383 -0.0033      0.0001  0.0384 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0001 -0.0095 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0029  0.0000  0.0000 -0.0000     -0.0000 -0.0002 -0.0164 -0.0004 -0.0384
 -0.0000 -0.0000 -0.0002  0.0161 -0.0000     -0.0000  0.0161 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0164 -0.0024  0.0383      0.0095 -0.0002  0.0000 -0.0003  0.0000
  0.0000  0.0001 -0.0000 -0.0394 -0.0033     -0.0001  0.0394  0.0000 -0.0001 -0.0001
 
spin component  4
 
  0.6062 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0192
 -0.0001  0.5464 -0.0000 -0.0002  0.0001      0.0000 -0.0000  0.0000 -0.0382  0.0012
 -0.0001 -0.0000  0.6085  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5462 -0.0003     -0.0000  0.0382 -0.0000  0.0000  0.0001
  0.0000  0.0001 -0.0000 -0.0003  0.5553      0.0192 -0.0012  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4737  v = -0.0098 -0.1589  0.0003 -0.0163  0.0012 -0.0008 -0.5837 -0.0003  0.0002  0.0155      0.0000 -0.0145 -0.0005  0.1394 -0.5047 -0.0001 -0.0024 -0.0023 -0.5792 -0.1536
  o =  0.4763  v =  0.0040 -0.5590  0.0004 -0.0512  0.0013  0.0023  0.1510 -0.0001 -0.0002  0.0492      0.0000 -0.0507 -0.0023  0.5639  0.1300  0.0002 -0.0032  0.0005  0.1711 -0.5412
  o =  0.5703  v = -0.0417 -0.1149  0.1536 -0.0189  0.0019  0.1834 -0.5652  0.0021 -0.1841 -0.0474      0.0000 -0.0218 -0.4494  0.0979  0.0567  0.0359 -0.1844 -0.0089  0.5127  0.2418
  o =  0.5747  v =  0.2299  0.3404  0.0294  0.0130  0.0008 -0.5019 -0.0819  0.0125 -0.0301 -0.0034      0.0000 -0.0155 -0.1900 -0.2095 -0.2717  0.0034 -0.0304  0.0618  0.3199 -0.5563
  o =  0.5784  v = -0.4067 -0.2702  0.0006 -0.0390  0.0004 -0.2342 -0.2096 -0.0459 -0.0020  0.0054      0.0000  0.0441 -0.0434 -0.4842  0.4265 -0.0072 -0.0023 -0.4114 -0.1334 -0.2278
  o =  0.5809  v =  0.4439 -0.4440  0.0071 -0.0449  0.0003  0.1364  0.1987 -0.0551 -0.0052  0.0015      0.0000  0.0481  0.0184 -0.3353 -0.4126 -0.0036 -0.0053 -0.4650  0.1629  0.1203
  o =  0.6221  v = -0.1161  0.1302  0.1585  0.0045  0.0019  0.4212  0.3226  0.0049  0.0638  0.0186      0.0000  0.0127 -0.7149 -0.0965 -0.0617  0.0331  0.0659 -0.0315 -0.2648 -0.2398
  o =  0.6238  v =  0.2926 -0.2192  0.0579 -0.0066  0.0005 -0.6132  0.1193  0.0203  0.0266  0.0053      0.0000  0.0113 -0.4375  0.1537  0.1763  0.0083  0.0275  0.0736 -0.2802  0.3750
  o =  0.6262  v =  0.4898 -0.2098 -0.0113 -0.0311  0.0001  0.2531 -0.1787  0.0599 -0.0043  0.0040      0.0000  0.0350  0.0513 -0.3822  0.3480  0.0037 -0.0046  0.5451 -0.1203 -0.1808
  o =  0.6282  v = -0.4938 -0.3785 -0.0076 -0.0366  0.0001 -0.1449  0.1910  0.0642 -0.0050  0.0021      0.0000  0.0398 -0.0385 -0.2719 -0.3783  0.0020 -0.0052  0.5419  0.1517  0.1143
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0001 -0.0001  0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0192
  0.0001  0.5507 -0.0000 -0.0002  0.0000      0.0000  0.0000  0.0000  0.0400  0.0015
 -0.0001 -0.0000  0.6087 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0000  0.5505  0.0004     -0.0000 -0.0400 -0.0000 -0.0000  0.0005
  0.0000  0.0000 -0.0000  0.0004  0.5597     -0.0192 -0.0015 -0.0000 -0.0005 -0.0000
 
spin component  2
 
 -0.0002  0.0095 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0039 -0.0000 -0.0002  0.0001     -0.0000  0.0009 -0.0163  0.0003 -0.0388
 -0.0000  0.0000 -0.0002 -0.0162 -0.0001      0.0000  0.0162  0.0001 -0.0000 -0.0000
  0.0000 -0.0002  0.0163 -0.0031 -0.0388      0.0095  0.0003  0.0000  0.0011  0.0001
  0.0000 -0.0000 -0.0001  0.0389 -0.0041      0.0001  0.0390 -0.0000 -0.0000  0.0014
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0039  0.0000 -0.0002 -0.0000     -0.0000 -0.0009 -0.0162 -0.0003 -0.0390
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0162 -0.0031  0.0389      0.0095 -0.0003  0.0000 -0.0011  0.0000
  0.0000  0.0001 -0.0001 -0.0388 -0.0041     -0.0001  0.0388  0.0000 -0.0001 -0.0014
 
spin component  4
 
  0.6065 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0192
 -0.0001  0.5515  0.0000 -0.0002  0.0000      0.0000 -0.0000  0.0001 -0.0407  0.0016
 -0.0001  0.0000  0.6087  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5516 -0.0004     -0.0000  0.0407 -0.0000  0.0000  0.0005
 -0.0000  0.0000  0.0000 -0.0004  0.5602      0.0192 -0.0016  0.0000 -0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4741  v = -0.0028 -0.4185  0.0015 -0.1444  0.0079  0.0034 -0.4088 -0.0007  0.0014  0.1314      0.0000 -0.1380 -0.0021  0.4002 -0.3762  0.0012 -0.0141 -0.0021 -0.3916 -0.3812
  o =  0.4760  v =  0.0060 -0.3782  0.0012 -0.1186  0.0041  0.0055  0.4300  0.0006 -0.0012  0.1080      0.0000 -0.1240 -0.0019  0.3987  0.3920  0.0017 -0.0092  0.0024  0.4462 -0.3451
  o =  0.5728  v =  0.3276  0.4580 -0.1146  0.1486 -0.0005 -0.2594  0.3381  0.0793  0.1290  0.1321      0.0000 -0.0319  0.1443  0.1692 -0.4058 -0.1060  0.1292  0.2825  0.0204 -0.3200
  o =  0.5748  v = -0.0623 -0.2415 -0.1991 -0.1112 -0.0007 -0.2406  0.2730 -0.1405  0.2073  0.0794      0.0000  0.1771  0.2805 -0.4750  0.0779 -0.0683  0.2051 -0.3411 -0.3166 -0.2817
  o =  0.5771  v =  0.3287 -0.1401  0.2144 -0.0678  0.0014 -0.2021 -0.1302 -0.0912 -0.2079  0.0389      0.0000  0.1121 -0.3056 -0.3535 -0.3410 -0.0400 -0.2082 -0.2559  0.4587 -0.2071
  o =  0.5800  v = -0.4090  0.3090  0.1044  0.0877  0.0009 -0.4318 -0.3259  0.0311 -0.0922  0.1347      0.0000  0.0330 -0.1738 -0.0575  0.3852 -0.1424 -0.0919  0.1422 -0.0188 -0.4075
  o =  0.6229  v = -0.5039  0.2848  0.1482  0.0759  0.0005  0.4184  0.2432 -0.0894  0.0627  0.0837      0.0000  0.0019 -0.2392  0.0593 -0.2934  0.1463  0.0627 -0.3909  0.0287 -0.2417
  o =  0.6241  v = -0.1342  0.1058 -0.1472  0.1906 -0.0040 -0.3368 -0.1757 -0.3650 -0.0745  0.0320      0.0000 -0.1606  0.4507  0.2979 -0.0917  0.0532 -0.0728 -0.4304  0.2489  0.2173
  o =  0.6254  v = -0.3768 -0.1094 -0.3005 -0.0870  0.0003  0.2260 -0.1082  0.1817 -0.1521  0.0032      0.0000  0.0945  0.4440 -0.2585 -0.2497  0.0070 -0.1539  0.3550  0.3509 -0.1454
  o =  0.6275  v =  0.4467  0.2797 -0.1365  0.0759 -0.0003  0.4713 -0.2906 -0.0395 -0.0772  0.1150      0.0000  0.0302  0.2391 -0.0473  0.3354  0.1542 -0.0780 -0.2072 -0.0192 -0.3530
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0002  0.5501  0.0000 -0.0001 -0.0000     -0.0000 -0.0000 -0.0001  0.0421 -0.0039
 -0.0001  0.0000  0.6072  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5503 -0.0004      0.0000 -0.0421  0.0000  0.0000 -0.0006
 -0.0000 -0.0000  0.0000 -0.0004  0.5610     -0.0199  0.0039 -0.0000  0.0006  0.0000
 
spin component  2
 
  0.0003  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0002
 -0.0098  0.0078 -0.0000  0.0003 -0.0000      0.0000 -0.0009 -0.0168 -0.0007 -0.0436
  0.0000 -0.0000  0.0004 -0.0167  0.0001     -0.0000  0.0167 -0.0001  0.0000  0.0000
  0.0000  0.0002  0.0168  0.0058 -0.0432      0.0098 -0.0006  0.0000 -0.0010 -0.0001
 -0.0000  0.0002  0.0001  0.0444  0.0092     -0.0002  0.0443  0.0000  0.0002 -0.0014
 
spin component  3
 
  0.0003 -0.0098  0.0000  0.0000 -0.0000      0.0001 -0.0000  0.0000 -0.0098  0.0002
  0.0099  0.0078 -0.0000  0.0002  0.0002     -0.0000  0.0009 -0.0167  0.0006 -0.0443
  0.0000 -0.0000  0.0004  0.0168  0.0001      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0003 -0.0167  0.0058  0.0444      0.0099  0.0007 -0.0000  0.0010 -0.0002
 -0.0000 -0.0000  0.0001 -0.0432  0.0092      0.0002  0.0436 -0.0000  0.0001  0.0014
 
spin component  4
 
  0.6041  0.0002 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001 -0.0200
  0.0002  0.5548 -0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001 -0.0444 -0.0041
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5546  0.0004      0.0001  0.0444  0.0000 -0.0000 -0.0005
  0.0000  0.0000 -0.0000  0.0004  0.5671      0.0200  0.0041  0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4670  v =  0.0004  0.4890 -0.0001 -0.0771 -0.1096 -0.0046 -0.3312  0.0015 -0.1105  0.0775      0.0000 -0.0909 -0.0042 -0.4664 -0.3120  0.0008  0.1109  0.0025 -0.2938  0.4396
  o =  0.4702  v = -0.0050 -0.3251 -0.0008 -0.0521 -0.0038  0.0071 -0.4723  0.0005 -0.0002  0.0464      0.0000 -0.0571  0.0030  0.3636 -0.4452  0.0010  0.0072  0.0043 -0.4986 -0.2896
  o =  0.5714  v = -0.3574  0.5086  0.0270  0.0576 -0.0002 -0.2243 -0.3049  0.0383 -0.0319  0.0339      0.0000 -0.0280 -0.1172  0.2699  0.4146 -0.0275 -0.0306  0.3590 -0.0609 -0.2629
  o =  0.5764  v =  0.0824  0.2135 -0.1774 -0.0864 -0.0036  0.3173  0.3393 -0.0351  0.1591 -0.1245      0.0000 -0.0139  0.3046  0.4705 -0.0681  0.1250  0.1675  0.3645 -0.2315  0.3190
  o =  0.5796  v = -0.4125 -0.1529 -0.1383 -0.0262 -0.0014 -0.1085  0.1797 -0.0372  0.1136  0.0072      0.0000  0.0404  0.4284 -0.2714  0.3364 -0.0119  0.1135 -0.2621 -0.5174 -0.0824
  o =  0.5849  v =  0.4232  0.2492 -0.0750  0.0415 -0.0006 -0.5827  0.2927  0.0219  0.0498  0.0619      0.0000  0.0130  0.2631 -0.0863 -0.2663 -0.0945  0.0491  0.1175 -0.0541 -0.3790
  o =  0.6220  v =  0.4938  0.3270 -0.0415  0.0300 -0.0010  0.3423 -0.2416 -0.0471 -0.0165  0.0227      0.0000 -0.0086  0.2029  0.1325  0.3105  0.0396 -0.0163 -0.5151 -0.0470 -0.2089
  o =  0.6254  v =  0.0738 -0.1629 -0.3397  0.1687  0.0057  0.2849 -0.2031 -0.1998 -0.1794  0.1566      0.0000 -0.0353  0.3269 -0.3473  0.0424  0.2048 -0.1870  0.4815  0.1406 -0.2146
  o =  0.6279  v =  0.3955 -0.1315  0.1616 -0.0282  0.0005  0.1414  0.1477  0.0602  0.0975  0.0073      0.0000  0.0398 -0.4949 -0.2533  0.3177  0.0114  0.0991  0.3093 -0.4658 -0.1010
  o =  0.6357  v = -0.3324  0.3116  0.0584  0.0510  0.0006  0.4526  0.3401 -0.0185  0.0477  0.0792      0.0000  0.0205 -0.2101 -0.1343 -0.3643  0.0729  0.0482 -0.1111 -0.0045 -0.4916
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5480  0.0000 -0.0001  0.0002     -0.0000  0.0000 -0.0000  0.0415 -0.0011
 -0.0001  0.0000  0.6071  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5480 -0.0004      0.0000 -0.0415  0.0000  0.0000 -0.0005
 -0.0000  0.0002 -0.0000 -0.0004  0.5593     -0.0199  0.0011 -0.0000  0.0005 -0.0000
 
spin component  2
 
  0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0001 -0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0025 -0.0000  0.0001 -0.0001     -0.0000 -0.0010 -0.0169 -0.0003 -0.0433
  0.0000 -0.0000  0.0001 -0.0166  0.0000     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0021 -0.0433      0.0098 -0.0003  0.0000 -0.0011 -0.0001
 -0.0000  0.0001  0.0000  0.0445  0.0027     -0.0001  0.0446  0.0000  0.0001 -0.0012
 
spin component  3
 
  0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0099  0.0025 -0.0000  0.0001  0.0001      0.0000  0.0010 -0.0166  0.0003 -0.0446
  0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0021  0.0445      0.0099  0.0003  0.0000  0.0011 -0.0001
 -0.0000 -0.0001  0.0000 -0.0433  0.0027      0.0001  0.0433 -0.0000  0.0001  0.0012
 
spin component  4
 
  0.6042  0.0001 -0.0001  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5569 -0.0000 -0.0001 -0.0002     -0.0000  0.0000 -0.0000 -0.0454 -0.0010
 -0.0001 -0.0000  0.6075 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5570  0.0004      0.0000  0.0454  0.0000  0.0000 -0.0006
  0.0000 -0.0002 -0.0000  0.0004  0.5689      0.0201  0.0010  0.0000  0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4671  v =  0.0004  0.4209  0.0017  0.3973  0.0654 -0.0063 -0.1512  0.0001  0.0583 -0.3487      0.0000  0.3963 -0.0006 -0.4147 -0.1503 -0.0060 -0.0733  0.0007 -0.1456  0.3670
  o =  0.4699  v = -0.0023 -0.1543 -0.0002 -0.0552  0.0004  0.0037 -0.5593  0.0007  0.0013  0.0477      0.0000 -0.0617  0.0003  0.1697 -0.5394  0.0015  0.0008  0.0018 -0.5626 -0.1341
  o =  0.5729  v = -0.1612  0.5190 -0.0008  0.2465  0.0003 -0.0178 -0.0767  0.2332 -0.0014  0.0089      0.0000 -0.2391 -0.0024  0.4996  0.1770 -0.0066 -0.0017  0.4890 -0.0749 -0.0211
  o =  0.5780  v = -0.6170 -0.0427  0.0541 -0.0246  0.0003 -0.2057 -0.3143 -0.0692 -0.0477  0.0792      0.0000  0.0960 -0.0589 -0.2120  0.5384 -0.0855 -0.0475 -0.1445 -0.2115 -0.1916
  o =  0.5801  v = -0.1923 -0.1260 -0.4217 -0.0480 -0.0014  0.2915  0.2344 -0.0132  0.3367 -0.0877      0.0000 -0.0206  0.3838  0.0737  0.1518  0.1019  0.3356 -0.0327 -0.3776  0.2510
  o =  0.5825  v =  0.1748  0.2022 -0.2733  0.0933 -0.0006 -0.5708  0.2094  0.0112  0.1982  0.1968      0.0000  0.0774  0.2118 -0.1698 -0.1250 -0.2613  0.1979  0.0205 -0.0977 -0.4297
  o =  0.6234  v = -0.2333 -0.3519 -0.0023 -0.1626 -0.0001 -0.0360  0.0793  0.3344 -0.0041 -0.0063      0.0000  0.1567 -0.0069 -0.3308 -0.1610 -0.0123 -0.0039  0.7145  0.0684  0.0225
  o =  0.6266  v = -0.6383  0.0373  0.0900  0.0186  0.0001 -0.2331  0.2894 -0.0948  0.0517 -0.0780      0.0000 -0.0905 -0.0823  0.2011 -0.4940 -0.1012  0.0519 -0.2104  0.1952  0.1794
  o =  0.6284  v = -0.1840  0.1008 -0.5102  0.0426 -0.0007  0.2083 -0.2073 -0.0310 -0.3209  0.0651      0.0000  0.0108  0.4486 -0.0493 -0.1562  0.0752 -0.3219 -0.0409  0.3577 -0.1797
  o =  0.6316  v = -0.1734  0.2457  0.2134  0.1125  0.0002  0.5351  0.1959 -0.0127  0.1534  0.2304      0.0000  0.0941 -0.1641 -0.2088 -0.1672  0.2430  0.1538 -0.0270 -0.0405 -0.5075
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0194
  0.0001  0.5563 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0000  0.0434  0.0013
 -0.0000 -0.0000  0.6089 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5560  0.0004     -0.0000 -0.0434 -0.0000  0.0000  0.0001
  0.0000 -0.0001  0.0000  0.0004  0.5652     -0.0194 -0.0013 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0095  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0030 -0.0000  0.0001 -0.0001     -0.0000  0.0003 -0.0162  0.0002 -0.0401
 -0.0000  0.0000 -0.0002 -0.0164 -0.0001      0.0000  0.0165  0.0000 -0.0000 -0.0000
  0.0000  0.0000  0.0162 -0.0025 -0.0404      0.0095  0.0002  0.0000  0.0003 -0.0000
  0.0000 -0.0001 -0.0000  0.0388 -0.0032      0.0001  0.0392 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0030  0.0000  0.0000 -0.0001     -0.0000 -0.0003 -0.0165 -0.0002 -0.0392
  0.0000 -0.0000 -0.0002  0.0162 -0.0000     -0.0000  0.0162 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0164 -0.0025  0.0388      0.0095 -0.0002  0.0000 -0.0003  0.0001
  0.0000 -0.0001 -0.0001 -0.0404 -0.0032     -0.0001  0.0401  0.0000  0.0000 -0.0001
 
spin component  4
 
  0.6062 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0192
 -0.0001  0.5467 -0.0000  0.0001  0.0001      0.0000 -0.0000  0.0000 -0.0391  0.0013
 -0.0000 -0.0000  0.6084  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0001  0.0000  0.5469 -0.0004     -0.0000  0.0391 -0.0000 -0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0004  0.5554      0.0192 -0.0013  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4725  v = -0.0094 -0.1668  0.0000 -0.0086 -0.0023 -0.0006 -0.5814 -0.0002 -0.0027  0.0083      0.0000 -0.0070 -0.0006  0.1481 -0.5040 -0.0002  0.0022 -0.0021 -0.5762 -0.1611
  o =  0.4751  v =  0.0044 -0.5576  0.0004 -0.0380 -0.0022  0.0021  0.1589  0.0002 -0.0039  0.0367      0.0000 -0.0385 -0.0024  0.5630  0.1363  0.0002  0.0005  0.0005  0.1792 -0.5402
  o =  0.5710  v = -0.0532 -0.1316 -0.0069  0.0110  0.0006  0.2161 -0.5851 -0.0007  0.0070  0.0274      0.0000  0.0129 -0.4722  0.1152  0.0697 -0.0208  0.0087 -0.0091  0.5209  0.2768
  o =  0.5755  v =  0.2034  0.3128  0.0299  0.0339  0.0002 -0.5112 -0.1289  0.0162 -0.0305  0.0343      0.0000  0.0002 -0.2257 -0.2325 -0.2342 -0.0316 -0.0301  0.0382  0.3357 -0.5501
  o =  0.5789  v = -0.4224 -0.2964  0.0137 -0.0218  0.0003 -0.1969 -0.2003 -0.0339 -0.0135  0.0181      0.0000  0.0386 -0.0293 -0.4704  0.4339 -0.0196 -0.0132 -0.4263 -0.1510 -0.1883
  o =  0.5816  v = -0.4570  0.4352  0.0029  0.0342 -0.0002 -0.1395 -0.1951  0.0446 -0.0022 -0.0039      0.0000 -0.0387 -0.0149  0.3277  0.4125  0.0051 -0.0025  0.4685 -0.1664 -0.1199
  o =  0.6224  v =  0.1192 -0.1340 -0.0325  0.0056 -0.0009 -0.4360 -0.3316  0.0023 -0.0134  0.0124      0.0000  0.0060  0.7163  0.1043  0.0648  0.0209 -0.0137  0.0261  0.2708  0.2519
  o =  0.6243  v = -0.2509  0.2109 -0.0701  0.0283 -0.0003  0.6120 -0.1420 -0.0272 -0.0336  0.0296      0.0000  0.0011  0.4499 -0.1714 -0.1546  0.0470 -0.0335 -0.0443  0.2840 -0.3844
  o =  0.6266  v =  0.4864 -0.2408 -0.0248 -0.0133 -0.0001  0.2077 -0.1686  0.0388 -0.0128  0.0171      0.0000  0.0298  0.0271 -0.3839  0.3516  0.0234 -0.0128  0.5628 -0.1341 -0.1517
  o =  0.6289  v =  0.5046  0.3765 -0.0020  0.0260  0.0002  0.1446 -0.1961 -0.0461 -0.0014 -0.0043      0.0000 -0.0308  0.0315  0.2669  0.3969 -0.0055 -0.0013 -0.5196 -0.1634 -0.1181
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065  0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0193
  0.0001  0.5512 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0001  0.0412  0.0017
 -0.0000 -0.0000  0.6086 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5513  0.0003     -0.0000 -0.0412 -0.0000  0.0000  0.0005
 -0.0000  0.0000 -0.0000  0.0003  0.5601     -0.0193 -0.0017 -0.0000 -0.0005  0.0000
 
spin component  2
 
 -0.0002  0.0095 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0095  0.0001
 -0.0095 -0.0040 -0.0000 -0.0002  0.0000     -0.0000  0.0009 -0.0164  0.0003 -0.0400
 -0.0000  0.0000 -0.0002 -0.0163 -0.0001      0.0000  0.0163  0.0001 -0.0000 -0.0000
  0.0000 -0.0002  0.0163 -0.0032 -0.0397      0.0095  0.0003  0.0000  0.0010 -0.0000
  0.0000 -0.0000 -0.0001  0.0402 -0.0044      0.0001  0.0400 -0.0000 -0.0000  0.0014
 
spin component  3
 
 -0.0002 -0.0095 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0095 -0.0001
  0.0095 -0.0040  0.0000 -0.0002 -0.0000     -0.0000 -0.0009 -0.0163 -0.0003 -0.0400
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0164 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0163 -0.0032  0.0402      0.0095 -0.0003  0.0000 -0.0010  0.0000
  0.0000  0.0000 -0.0001 -0.0397 -0.0044     -0.0001  0.0400  0.0000  0.0000 -0.0014
 
spin component  4
 
  0.6065 -0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0193
 -0.0001  0.5521  0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0419  0.0016
 -0.0000  0.0000  0.6087  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5519 -0.0003     -0.0000  0.0419 -0.0000 -0.0000  0.0005
 -0.0000 -0.0000  0.0000 -0.0003  0.5608      0.0193 -0.0016  0.0000 -0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4723  v = -0.0029 -0.4183  0.0011 -0.1115 -0.0031  0.0030 -0.4188 -0.0005 -0.0083  0.1020      0.0000 -0.1061 -0.0020  0.3994 -0.3853  0.0008 -0.0017 -0.0022 -0.4013 -0.3826
  o =  0.4743  v =  0.0056 -0.3900  0.0013 -0.1121 -0.0045  0.0057  0.4200  0.0006 -0.0102  0.1025      0.0000 -0.1178 -0.0019  0.4108  0.3841  0.0015 -0.0005  0.0025  0.4369 -0.3565
  o =  0.5737  v =  0.3468  0.4662 -0.0873  0.1138  0.0004 -0.2745  0.3323  0.0612  0.0956  0.1025      0.0000 -0.0209  0.1393  0.1686 -0.4150 -0.0855  0.0949  0.2954  0.0360 -0.3276
  o =  0.5759  v = -0.0801 -0.1855 -0.1282 -0.1719  0.0013 -0.2533  0.3343 -0.1755  0.1295  0.0072      0.0000  0.1764  0.3617 -0.4203  0.0944 -0.0061  0.1239 -0.2996 -0.3945 -0.2853
  o =  0.5779  v =  0.3202 -0.1839  0.2019 -0.0601  0.0001 -0.2051 -0.1182 -0.0868 -0.1905  0.0435      0.0000  0.1070 -0.2951 -0.3928 -0.3215 -0.0450 -0.1906 -0.3079  0.4318 -0.2045
  o =  0.5809  v = -0.4144  0.3003  0.1080  0.0866 -0.0000 -0.4451 -0.3264  0.0362 -0.0909  0.1261      0.0000  0.0270 -0.1875 -0.0633  0.3745 -0.1392 -0.0904  0.1394 -0.0086 -0.4020
  o =  0.6234  v = -0.5042  0.3001  0.1184  0.0693  0.0004  0.4143  0.2450 -0.0810  0.0526  0.0718      0.0000 -0.0019 -0.2257  0.0701 -0.3019  0.1212  0.0522 -0.4058  0.0346 -0.2460
  o =  0.6248  v = -0.1390  0.1001 -0.1120  0.1835 -0.0032 -0.3172 -0.2122 -0.3289 -0.0599  0.0403      0.0000 -0.1460  0.5098  0.2860 -0.0972  0.0628 -0.0571 -0.3953  0.2907  0.2121
  o =  0.6260  v = -0.3686 -0.1403 -0.2714 -0.0802  0.0006  0.2328 -0.0958  0.1691 -0.1418  0.0110      0.0000  0.0944  0.4072 -0.2968 -0.2497  0.0193 -0.1427  0.4083  0.3402 -0.1541
  o =  0.6284  v =  0.4356  0.2784 -0.1281  0.0760 -0.0002  0.4746 -0.3001 -0.0383 -0.0769  0.1123      0.0000  0.0280  0.2402 -0.0645  0.3411  0.1443 -0.0772 -0.1816 -0.0145 -0.3692
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0002 -0.0001 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0002  0.5503  0.0000 -0.0004 -0.0000     -0.0000 -0.0000 -0.0001  0.0425 -0.0036
 -0.0001  0.0000  0.6069  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0004  0.0001  0.5501 -0.0004      0.0001 -0.0425  0.0000  0.0000 -0.0005
 -0.0000 -0.0000  0.0000 -0.0004  0.5610     -0.0199  0.0036 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0003  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0002
 -0.0099  0.0072 -0.0000  0.0002  0.0002     -0.0000 -0.0008 -0.0169 -0.0006 -0.0436
  0.0000  0.0000  0.0004 -0.0168  0.0001     -0.0000  0.0168 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0055 -0.0437      0.0099 -0.0006  0.0000 -0.0010  0.0001
 -0.0000 -0.0003  0.0001  0.0444  0.0084     -0.0002  0.0447  0.0000 -0.0003 -0.0013
 
spin component  3
 
  0.0003 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0002
  0.0099  0.0072  0.0000  0.0001 -0.0003     -0.0000  0.0008 -0.0168  0.0006 -0.0447
  0.0000 -0.0000  0.0004  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0168  0.0055  0.0444      0.0099  0.0006  0.0000  0.0010  0.0003
 -0.0000  0.0002  0.0001 -0.0437  0.0084      0.0002  0.0436 -0.0000 -0.0001  0.0013
 
spin component  4
 
  0.6040  0.0002 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0002  0.5555 -0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0001 -0.0450 -0.0036
 -0.0001 -0.0000  0.6072 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0001  0.5557  0.0004      0.0000  0.0450  0.0000 -0.0000 -0.0005
 -0.0000  0.0000 -0.0000  0.0004  0.5674      0.0201  0.0036  0.0000  0.0005 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4667  v =  0.0003  0.5098  0.0005 -0.0061 -0.0583 -0.0051 -0.3242  0.0009 -0.0614  0.0096      0.0000 -0.0144 -0.0040 -0.4881 -0.3070  0.0000  0.0565  0.0025 -0.2889  0.4565
  o =  0.4699  v = -0.0045 -0.3065 -0.0008 -0.0483 -0.0060  0.0071 -0.4856  0.0007 -0.0029  0.0432      0.0000 -0.0538  0.0026  0.3440 -0.4606  0.0010  0.0093  0.0043 -0.5085 -0.2718
  o =  0.5720  v =  0.3593 -0.5079 -0.0315 -0.0956 -0.0011  0.2013  0.2814 -0.0668  0.0355 -0.0541      0.0000  0.0482  0.1025 -0.2979 -0.4051  0.0456  0.0365 -0.3824  0.0761  0.2310
  o =  0.5767  v =  0.1468  0.1831 -0.0954  0.0668 -0.0008  0.3631  0.3619  0.0921  0.0865 -0.0339      0.0000 -0.0941  0.3078  0.4768 -0.1259  0.0358  0.0828  0.3604 -0.1993  0.3562
  o =  0.5801  v =  0.4189  0.1365  0.1366  0.0398  0.0028  0.0586 -0.2047  0.0436 -0.1079  0.0134      0.0000 -0.0344 -0.4685  0.2144 -0.3324 -0.0128 -0.1076  0.2252  0.5342  0.0393
  o =  0.5846  v = -0.4027 -0.2525  0.0675 -0.0226  0.0016  0.5890 -0.2980  0.0000 -0.0455 -0.0499      0.0000 -0.0210 -0.2783  0.0916  0.2560  0.0748 -0.0455 -0.1163  0.0682  0.3885
  o =  0.6224  v = -0.4853 -0.3374  0.0531 -0.0557  0.0002 -0.3065  0.2326  0.0872  0.0217 -0.0376      0.0000  0.0211 -0.1739 -0.1592 -0.3131 -0.0623  0.0222  0.5373  0.0586  0.1914
  o =  0.6257  v = -0.1318  0.1543  0.1670  0.0169  0.0008 -0.3697  0.2684 -0.0651  0.0937 -0.0518      0.0000 -0.0611 -0.3942  0.3994 -0.0852 -0.0655  0.0952 -0.5115 -0.1615  0.2815
  o =  0.6284  v = -0.3904  0.1172 -0.1513  0.0438 -0.0004 -0.1042 -0.1754 -0.0662 -0.0948  0.0143      0.0000 -0.0349  0.5250  0.2131 -0.3231  0.0151 -0.0973 -0.2559  0.4966  0.0733
  o =  0.6353  v =  0.3260 -0.3144 -0.0491 -0.0282  0.0000 -0.4634 -0.3400  0.0005 -0.0389 -0.0631      0.0000 -0.0282  0.2171  0.1362  0.3529 -0.0588 -0.0403  0.1127  0.0135  0.4969
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5494  0.0000 -0.0003  0.0002     -0.0000 -0.0000 -0.0000  0.0424 -0.0012
 -0.0001  0.0000  0.6069  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5498 -0.0005      0.0000 -0.0424  0.0000 -0.0000 -0.0003
 -0.0000  0.0002  0.0000 -0.0005  0.5603     -0.0199  0.0012 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0030 -0.0000  0.0000  0.0002     -0.0000 -0.0007 -0.0169 -0.0004 -0.0438
  0.0000  0.0000  0.0002 -0.0167  0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169  0.0025 -0.0433      0.0099 -0.0003  0.0000 -0.0008  0.0002
 -0.0000 -0.0003  0.0000  0.0449  0.0033     -0.0001  0.0445  0.0000 -0.0003 -0.0007
 
spin component  3
 
  0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0030  0.0000  0.0000 -0.0003     -0.0000  0.0007 -0.0167  0.0003 -0.0445
  0.0000 -0.0000  0.0002  0.0169  0.0000      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0167  0.0025  0.0449      0.0099  0.0004  0.0000  0.0008  0.0003
 -0.0000  0.0002  0.0000 -0.0433  0.0033      0.0001  0.0438 -0.0000 -0.0002  0.0007
 
spin component  4
 
  0.6041  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5565 -0.0000 -0.0003 -0.0002     -0.0000 -0.0000 -0.0000 -0.0453 -0.0014
 -0.0001 -0.0000  0.6072 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5561  0.0005      0.0000  0.0453  0.0000 -0.0000 -0.0004
  0.0000 -0.0002 -0.0000  0.0005  0.5682      0.0201  0.0014  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4671  v =  0.0003  0.5238  0.0012  0.1927  0.0257 -0.0072 -0.2232  0.0001  0.0209 -0.1711      0.0000  0.1914 -0.0017 -0.5161 -0.2151 -0.0026 -0.0312  0.0008 -0.2084  0.4632
  o =  0.4696  v = -0.0032 -0.2128 -0.0003 -0.0519  0.0021  0.0044 -0.5406  0.0005  0.0034  0.0455      0.0000 -0.0558  0.0007  0.2304 -0.5164  0.0012 -0.0010  0.0019 -0.5472 -0.1878
  o =  0.5741  v = -0.2207  0.5432  0.0093  0.1666  0.0003 -0.0624 -0.1070  0.1561 -0.0109  0.0262      0.0000 -0.1434 -0.0088  0.4815  0.2312 -0.0220 -0.0119  0.5176 -0.0943 -0.0671
  o =  0.5783  v = -0.5372 -0.0702  0.1499 -0.0227  0.0003 -0.2781 -0.3284 -0.0677 -0.1288  0.0785      0.0000  0.0897 -0.1199 -0.2936  0.4632 -0.0867 -0.1285 -0.2114 -0.1236 -0.2527
  o =  0.5796  v =  0.3106  0.1135  0.3593  0.0681  0.0021 -0.1793 -0.2179  0.0216 -0.2885  0.1198      0.0000  0.0271 -0.4185 -0.0052 -0.2517 -0.1366 -0.2888  0.0674  0.4563 -0.1588
  o =  0.5825  v = -0.2221 -0.2195  0.1079 -0.0187  0.0017  0.6273 -0.2885  0.0077 -0.0780 -0.0523      0.0000 -0.0267 -0.3028  0.1904  0.1585  0.0698 -0.0784 -0.0175  0.1463  0.4673
  o =  0.6240  v = -0.2908 -0.3878  0.0174 -0.1190 -0.0002 -0.0943  0.1077  0.2180  0.0061 -0.0213      0.0000  0.0994 -0.0195 -0.3287 -0.2058 -0.0339  0.0066  0.7139  0.0816  0.0632
  o =  0.6269  v = -0.5240  0.0555  0.2465  0.0123  0.0004 -0.2965  0.3012 -0.0795  0.1453 -0.0817      0.0000 -0.0846 -0.1711  0.2677 -0.4096 -0.1016  0.1459 -0.2773  0.1006  0.2329
  o =  0.6280  v =  0.3366 -0.0921  0.4400 -0.0717  0.0003 -0.0914  0.1456  0.0494  0.2738 -0.1052      0.0000 -0.0168 -0.4491 -0.0307  0.2795 -0.1238  0.2760  0.0981 -0.4154  0.0820
  o =  0.6318  v = -0.2109  0.2623  0.0898  0.0237 -0.0000  0.5697  0.2748  0.0086  0.0642  0.0678      0.0000  0.0372 -0.2476 -0.2292 -0.2039  0.0708  0.0656 -0.0247 -0.0857 -0.5432
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6051 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5489 -0.0000 -0.0003 -0.0002      0.0000  0.0000 -0.0000  0.0416 -0.0004
 -0.0001 -0.0000  0.6074  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5488 -0.0000      0.0000 -0.0416 -0.0000  0.0000  0.0005
 -0.0000 -0.0002  0.0000 -0.0000  0.5559     -0.0198  0.0004 -0.0000 -0.0005  0.0000
 
spin component  2
 
  0.0001  0.0098 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0010 -0.0000 -0.0000  0.0002     -0.0000  0.0010 -0.0169 -0.0001 -0.0439
 -0.0000  0.0000  0.0001 -0.0167 -0.0000     -0.0000  0.0167  0.0001 -0.0000 -0.0000
  0.0000 -0.0001  0.0170  0.0007 -0.0439      0.0098 -0.0001  0.0000  0.0013  0.0002
  0.0000 -0.0002 -0.0000  0.0449  0.0012     -0.0000  0.0451 -0.0000 -0.0002  0.0013
 
spin component  3
 
  0.0001 -0.0098 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0010  0.0000 -0.0001 -0.0002     -0.0000 -0.0010 -0.0167  0.0001 -0.0451
 -0.0000 -0.0000  0.0001  0.0170 -0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0167  0.0007  0.0449      0.0098  0.0001  0.0000 -0.0013  0.0002
  0.0000  0.0002 -0.0000 -0.0439  0.0012      0.0000  0.0439  0.0000 -0.0002 -0.0013
 
spin component  4
 
  0.6056  0.0000 -0.0001 -0.0000  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0200
  0.0000  0.5579  0.0000 -0.0003  0.0002      0.0000  0.0000 -0.0000 -0.0451 -0.0005
 -0.0001  0.0000  0.6078 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0003 -0.0000  0.5581  0.0000      0.0000  0.0451 -0.0000 -0.0000  0.0006
  0.0000  0.0002 -0.0000  0.0000  0.5656      0.0200  0.0005  0.0000 -0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4663  v =  0.0009  0.3357 -0.0009 -0.4824 -0.0159 -0.0036 -0.0890 -0.0001 -0.0114  0.4371      0.0000 -0.4821  0.0004 -0.3353 -0.0955  0.0052  0.0201  0.0001 -0.0916  0.3040
  o =  0.4688  v = -0.0014  0.0651 -0.0003 -0.0666  0.0041 -0.0011  0.5690  0.0009  0.0052  0.0597      0.0000 -0.0742  0.0000 -0.0710  0.5719  0.0014 -0.0027 -0.0006  0.5682  0.0588
  o =  0.5738  v = -0.1022  0.3235  0.0088 -0.4742 -0.0001  0.0041 -0.0492 -0.4623 -0.0081 -0.0068      0.0000  0.4666  0.0025  0.3283  0.1123  0.0076 -0.0076  0.3202 -0.0535  0.0069
  o =  0.5782  v =  0.6426  0.0035  0.0164 -0.0298  0.0001  0.1049  0.2979 -0.0854 -0.0116  0.0975      0.0000  0.1210  0.0040  0.0969 -0.5802 -0.1011 -0.0112  0.0562  0.2912  0.1016
  o =  0.5808  v = -0.0889 -0.1118  0.5748  0.0955 -0.0001  0.2558 -0.0808  0.0138 -0.4519  0.1965      0.0000  0.0739 -0.0565  0.0813  0.0751 -0.2251 -0.4508 -0.0186  0.0084  0.2235
  o =  0.5822  v = -0.1340 -0.1632 -0.3434  0.1650 -0.0004  0.4237 -0.0038  0.0106  0.2534  0.3542      0.0000  0.1535  0.0605  0.1450  0.0999 -0.4380  0.2537 -0.0152 -0.0930  0.3429
  o =  0.6242  v =  0.1562  0.2175 -0.0156 -0.3338 -0.0002 -0.0038 -0.0463  0.6719 -0.0096 -0.0082      0.0000  0.3253 -0.0049  0.2171  0.1035 -0.0112 -0.0093 -0.4429 -0.0525  0.0005
  o =  0.6268  v =  0.7086 -0.0046  0.0125  0.0314 -0.0001  0.1237 -0.2649 -0.1296  0.0098 -0.0872      0.0000 -0.1141  0.0057 -0.0883  0.5194 -0.1212  0.0094  0.0826 -0.2582 -0.0890
  o =  0.6290  v = -0.0745  0.0930  0.6731 -0.0777  0.0007  0.2147  0.0774  0.0175  0.4297 -0.1509      0.0000 -0.0566 -0.0757 -0.0645 -0.0593 -0.1840  0.4295 -0.0241 -0.0198 -0.1760
  o =  0.6309  v = -0.1370  0.1822 -0.2857 -0.1876 -0.0001  0.4273  0.0185  0.0115 -0.1974 -0.3876      0.0000 -0.1695  0.0595 -0.1604 -0.1215 -0.4455 -0.1979 -0.0130  0.1001 -0.3720
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6050  0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0193
  0.0001  0.5438 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000  0.0376  0.0018
 -0.0001 -0.0000  0.6074 -0.0001  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5445  0.0003     -0.0000 -0.0376  0.0000 -0.0000 -0.0000
  0.0000 -0.0000  0.0000  0.0003  0.5519     -0.0193 -0.0018 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0035 -0.0000 -0.0001  0.0002     -0.0000  0.0001 -0.0168  0.0005 -0.0408
 -0.0000 -0.0000 -0.0002 -0.0163 -0.0000      0.0000  0.0163  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0168 -0.0030 -0.0403      0.0096  0.0004  0.0000  0.0001  0.0002
  0.0000 -0.0000 -0.0000  0.0427 -0.0040      0.0001  0.0426  0.0000 -0.0000  0.0002
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0097 -0.0035 -0.0000 -0.0001 -0.0000     -0.0000 -0.0001 -0.0163 -0.0004 -0.0426
 -0.0000 -0.0000 -0.0002  0.0168 -0.0000     -0.0000  0.0168 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0163 -0.0030  0.0427      0.0097 -0.0005  0.0000 -0.0001  0.0000
  0.0000  0.0002 -0.0000 -0.0403 -0.0040     -0.0001  0.0408 -0.0000 -0.0002 -0.0002
 
spin component  4
 
  0.6060 -0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0197
 -0.0001  0.5618  0.0000 -0.0004  0.0000      0.0000  0.0000  0.0000 -0.0463  0.0019
 -0.0001  0.0000  0.6083  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5615 -0.0003     -0.0000  0.0463  0.0000 -0.0000 -0.0000
 -0.0000  0.0000  0.0000 -0.0003  0.5699      0.0197 -0.0019  0.0000  0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v =  0.0018 -0.5954  0.0002 -0.0477 -0.0111  0.0109 -0.1169 -0.0002 -0.0122  0.0398      0.0000 -0.0464 -0.0022  0.5883 -0.1194  0.0010  0.0097 -0.0007 -0.0961 -0.5057
  o =  0.4736  v = -0.0028 -0.1069 -0.0000 -0.0237 -0.0144  0.0038  0.5586 -0.0000 -0.0142  0.0195      0.0000 -0.0240 -0.0004  0.1291  0.5779  0.0006  0.0142  0.0024  0.5620 -0.0892
  o =  0.5678  v =  0.1520  0.6051 -0.0042  0.0156 -0.0003 -0.0280  0.0933  0.0117  0.0062  0.0036      0.0000 -0.0135  0.0028  0.5706 -0.2037 -0.0005  0.0056  0.4725  0.0932 -0.0406
  o =  0.5751  v =  0.5693 -0.0888 -0.0122 -0.0002 -0.0001 -0.1565  0.3242 -0.0046  0.0138  0.0088      0.0000  0.0078  0.0183 -0.2472 -0.5780 -0.0088  0.0138 -0.1658  0.2884 -0.1775
  o =  0.5818  v =  0.1740 -0.2077  0.0384 -0.0219  0.0011  0.5547 -0.2223  0.0038 -0.0287 -0.0550      0.0000 -0.0228 -0.3761  0.1842 -0.1356  0.0622 -0.0287 -0.0180  0.3531  0.4895
  o =  0.5848  v = -0.0982  0.1375 -0.0698 -0.0137  0.0024 -0.4058 -0.4317  0.0009  0.0462 -0.0361      0.0000 -0.0184 -0.5972 -0.1281  0.0655  0.0479  0.0467  0.0024  0.3708 -0.3037
  o =  0.6211  v =  0.3357 -0.3311 -0.0103 -0.0020 -0.0000 -0.0711 -0.0980  0.0068 -0.0036  0.0007      0.0000  0.0028  0.0024 -0.2975  0.1904 -0.0038 -0.0032  0.7930 -0.0884  0.0368
  o =  0.6238  v = -0.6836 -0.1050  0.0180  0.0011 -0.0001  0.2044  0.2350  0.0024  0.0073  0.0060      0.0000  0.0045 -0.0194 -0.2218 -0.4369  0.0078  0.0073  0.3454  0.2205 -0.1259
  o =  0.6294  v =  0.1536  0.2041  0.0351  0.0180  0.0010  0.5325  0.2340  0.0001  0.0227  0.0457      0.0000  0.0215 -0.4534 -0.1778  0.1317  0.0548  0.0245 -0.0188 -0.3626 -0.4493
  o =  0.6328  v = -0.0965 -0.1767 -0.0457  0.0117  0.0010 -0.4020  0.4470  0.0037 -0.0359  0.0279      0.0000  0.0141 -0.5342  0.1634 -0.0939  0.0298 -0.0333  0.0135 -0.3571  0.3781
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0000 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5569  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0000  0.0433 -0.0001
 -0.0001  0.0000  0.6077  0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5568 -0.0001      0.0000 -0.0433  0.0000 -0.0000 -0.0002
 -0.0000  0.0000  0.0000 -0.0001  0.5648     -0.0196  0.0001 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0004 -0.0000  0.0001  0.0001     -0.0000 -0.0003 -0.0165  0.0000 -0.0425
  0.0000  0.0000  0.0000 -0.0167  0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0003 -0.0427      0.0097  0.0000  0.0000 -0.0003  0.0001
 -0.0000 -0.0002  0.0000  0.0419  0.0003     -0.0000  0.0420  0.0000 -0.0002 -0.0004
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0004  0.0000  0.0001 -0.0002     -0.0000  0.0003 -0.0167 -0.0000 -0.0420
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0167  0.0003  0.0419      0.0097 -0.0000  0.0000  0.0003  0.0002
 -0.0000  0.0001  0.0000 -0.0427  0.0003      0.0000  0.0425 -0.0000 -0.0001  0.0004
 
spin component  4
 
  0.6050  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5481 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0403 -0.0001
 -0.0001 -0.0000  0.6073 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5482  0.0001      0.0000  0.0403  0.0000 -0.0000 -0.0001
  0.0000 -0.0000 -0.0000  0.0001  0.5560      0.0195  0.0001  0.0000  0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4697  v = -0.0077  0.0259  0.0001  0.0345  0.0036  0.0002 -0.5960  0.0002  0.0033 -0.0345      0.0000  0.0323  0.0000 -0.0232 -0.5330  0.0001 -0.0046  0.0003 -0.5961  0.0256
  o =  0.4717  v =  0.0008  0.3782  0.0004  0.4358  0.0029  0.0002  0.0438 -0.0000  0.0014 -0.4339      0.0000  0.4353 -0.0000 -0.3774  0.0375  0.0003 -0.0048  0.0001  0.0439  0.3763
  o =  0.5729  v = -0.0110  0.0229  0.4062  0.0046  0.0028 -0.0370 -0.4054  0.0006 -0.4310  0.0069      0.0000  0.0017 -0.3768 -0.0151  0.0150 -0.0058 -0.4292  0.0034  0.3928 -0.0420
  o =  0.5773  v =  0.0581 -0.1760  0.0389 -0.2946  0.0002  0.3156  0.0309 -0.0289 -0.0357 -0.5361      0.0000 -0.2402  0.0049  0.1228 -0.0578  0.5649 -0.0350 -0.0272  0.0218  0.2994
  o =  0.5798  v = -0.2556  0.3725 -0.0032  0.2857  0.0000  0.0289 -0.0952  0.3776  0.0009 -0.0504      0.0000 -0.3361  0.0074  0.3963  0.2344  0.0613  0.0011  0.4673 -0.1076  0.0235
  o =  0.5804  v =  0.6364  0.1663  0.0085  0.1418  0.0002 -0.0225  0.2446  0.1587 -0.0048  0.0298      0.0000 -0.1136 -0.0057  0.1486 -0.5665 -0.0339 -0.0047  0.1957  0.2549 -0.0194
  o =  0.6233  v = -0.0161 -0.0189  0.7818 -0.0083  0.0006 -0.0536  0.1333 -0.0019  0.3687 -0.0211      0.0000 -0.0118 -0.2752  0.0138 -0.0076 -0.0331  0.3694  0.0062 -0.1267  0.0345
  o =  0.6255  v =  0.0631  0.1456  0.0633  0.2523  0.0004  0.3663 -0.0256 -0.0427  0.0339  0.4617      0.0000  0.2076  0.0101 -0.1112  0.0437  0.6555  0.0340 -0.0342 -0.0155 -0.2578
  o =  0.6276  v = -0.2138 -0.3343  0.0013 -0.2501  0.0001  0.0209  0.0697  0.4501 -0.0005  0.0473      0.0000  0.2975  0.0088 -0.3524 -0.1670  0.0593 -0.0006  0.5647  0.0802 -0.0180
  o =  0.6283  v = -0.6900  0.1176 -0.0071  0.1009  0.0001  0.0239  0.2495 -0.1392 -0.0063  0.0289      0.0000 -0.0734  0.0031  0.0994 -0.5525  0.0360 -0.0062 -0.1732  0.2540 -0.0195
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6057 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0200
 -0.0000  0.5598  0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0000  0.0454 -0.0003
 -0.0001  0.0000  0.6080  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5598 -0.0001      0.0000 -0.0454  0.0000  0.0000 -0.0003
  0.0000  0.0002 -0.0000 -0.0001  0.5678     -0.0200  0.0003 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0007 -0.0000 -0.0000  0.0002     -0.0000 -0.0006 -0.0166 -0.0000 -0.0455
  0.0000  0.0000  0.0000 -0.0170  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0166  0.0004 -0.0454      0.0098  0.0000  0.0000 -0.0008  0.0002
 -0.0000 -0.0002  0.0000  0.0444  0.0007     -0.0000  0.0441  0.0000 -0.0002 -0.0006
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0007  0.0000 -0.0000 -0.0002     -0.0000  0.0006 -0.0169 -0.0000 -0.0441
  0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0170  0.0004  0.0444      0.0098  0.0000  0.0000  0.0008  0.0002
 -0.0000  0.0002  0.0000 -0.0454  0.0007      0.0000  0.0455 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6051  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0198
  0.0000  0.5476  0.0000 -0.0003 -0.0002     -0.0000 -0.0000 -0.0000 -0.0406 -0.0003
 -0.0001  0.0000  0.6074 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5473  0.0001      0.0000  0.0406  0.0000 -0.0000 -0.0003
 -0.0000 -0.0002  0.0000  0.0001  0.5555      0.0198  0.0003  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4662  v =  0.0077 -0.0353 -0.0001 -0.0292  0.0025 -0.0004  0.5958 -0.0005  0.0034  0.0296      0.0000 -0.0249 -0.0001  0.0318  0.5321 -0.0004 -0.0021 -0.0004  0.5966 -0.0360
  o =  0.4691  v = -0.0010 -0.4021 -0.0007 -0.4055  0.0043 -0.0019 -0.0467 -0.0002  0.0075  0.4150      0.0000 -0.4044 -0.0000  0.4026 -0.0387 -0.0019 -0.0017  0.0001 -0.0464 -0.4124
  o =  0.5725  v = -0.0110  0.0016  0.4483  0.0239 -0.0015 -0.0133  0.3333 -0.0017 -0.4785  0.0558      0.0000  0.0270  0.3175 -0.0126  0.0154 -0.0485 -0.4802 -0.0060 -0.3460 -0.0153
  o =  0.5787  v = -0.0610  0.2691 -0.0540  0.1926  0.0000 -0.5431 -0.0246  0.0151  0.0466  0.3444      0.0000  0.1629  0.0029 -0.2262  0.0587 -0.3898  0.0475  0.0234 -0.0295 -0.4800
  o =  0.5821  v = -0.3397  0.2620  0.0035  0.3399 -0.0000  0.0556 -0.1252  0.4694 -0.0046 -0.0206      0.0000 -0.3612 -0.0043  0.3021  0.2833  0.0296 -0.0049  0.3775 -0.1181  0.0400
  o =  0.5830  v =  0.6396  0.1644  0.0121  0.1988 -0.0003 -0.0338  0.2280  0.2616 -0.0068  0.0239      0.0000 -0.1773  0.0061  0.1397 -0.5069 -0.0315 -0.0070  0.2113  0.2184 -0.0257
  o =  0.6235  v =  0.0179  0.0047 -0.7583  0.0186  0.0014  0.0346  0.1541  0.0046 -0.3548  0.0447      0.0000  0.0242 -0.3375 -0.0166  0.0085  0.0697 -0.3538  0.0094 -0.1615 -0.0222
  o =  0.6272  v = -0.0762 -0.2413 -0.0767 -0.1822  0.0001 -0.5776  0.0251  0.0264 -0.0439 -0.3299      0.0000 -0.1543  0.0021  0.1955 -0.0559 -0.4452 -0.0442  0.0411  0.0273  0.4283
  o =  0.6302  v =  0.2188  0.2587 -0.0130  0.3522  0.0001 -0.0547 -0.0858 -0.5417 -0.0067 -0.0221      0.0000 -0.3751  0.0042  0.3068  0.1872 -0.0248 -0.0069 -0.4211 -0.0804  0.0476
  o =  0.6317  v = -0.6462  0.1160 -0.0088  0.1411 -0.0001  0.0394  0.2676 -0.1756 -0.0075  0.0333      0.0000 -0.1093 -0.0056  0.0812 -0.5798  0.0369 -0.0076 -0.1385  0.2592 -0.0357
     EDDAV:  cpu time   73.8059: real time   74.5912
       DOS:  cpu time    0.0454: real time    0.0456
    CHARGE:  cpu time    1.2114: real time    1.2221
    MIXING:  cpu time    0.0348: real time    0.0351
    --------------------------------------------
      LOOP:  cpu time   76.0123: real time   76.8158

 eigenvalue-minimisations  : 13088
 total energy-change (2. order) : 0.5743959E-03  (-0.3693180E-02)
 number of electron    1039.9999692 magnetization       0.0426580     -0.0011531     -0.0566263
 augmentation part       28.5133266 magnetization       0.0157552      0.0008680     -0.0050322

 Broyden mixing:
  rms(total) = 0.38805E+00    rms(broyden)= 0.38805E+00
  rms(prec ) = 0.41612E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6460
  2.4785  2.4785  0.9682  0.9682  0.6229  0.5205  0.5205  0.4003  0.4003  0.1804
  0.1804  0.0951  0.1485  0.1313  0.1194  0.1238

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.93540954
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.50369788
  PAW double counting   =     84264.71677166   -83085.52857840
  entropy T*S    EENTRO =        -0.15429856
  eigenvalues    EBANDS =     -6098.37912446
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.24960152 eV

  energy without entropy =    -1066.09530296  energy(sigma->0) =    -1066.19816867


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  22)  ---------------------------------------


    POTLOK:  cpu time    0.4722: real time    0.4776
    SETDIJ:  cpu time    0.4409: real time    0.4430
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0001 -0.0000  0.0001  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0001  0.5445 -0.0001  0.0001 -0.0001      0.0000 -0.0000 -0.0000  0.0374 -0.0013
 -0.0000 -0.0001  0.6079  0.0000  0.0001     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5451  0.0000      0.0000 -0.0374 -0.0000 -0.0000  0.0013
  0.0000 -0.0001  0.0001  0.0000  0.5528     -0.0195  0.0013 -0.0000 -0.0013  0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0023 -0.0000 -0.0003  0.0001     -0.0000  0.0020 -0.0169 -0.0003 -0.0417
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0000
 -0.0000 -0.0004  0.0169  0.0017 -0.0411      0.0097 -0.0002  0.0000  0.0024  0.0001
  0.0001  0.0000  0.0000  0.0437  0.0027     -0.0001  0.0433 -0.0001  0.0000  0.0029
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0023 -0.0000 -0.0004  0.0000     -0.0000 -0.0020 -0.0164  0.0002 -0.0433
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0017  0.0437      0.0097  0.0003  0.0000 -0.0024 -0.0000
  0.0001  0.0001  0.0000 -0.0411  0.0027      0.0001  0.0417  0.0000 -0.0001 -0.0029
 
spin component  4
 
  0.6065  0.0001 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0001  0.5621  0.0001 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0462 -0.0014
 -0.0000  0.0001  0.6087 -0.0000  0.0001     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5618  0.0000      0.0000  0.0462 -0.0000 -0.0000  0.0014
 -0.0000  0.0001  0.0001  0.0000  0.5699      0.0198  0.0014  0.0000 -0.0014 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4695  v = -0.0016 -0.3805  0.0020  0.4580 -0.0022  0.0062  0.0939  0.0003 -0.0115 -0.3965      0.0000  0.4564 -0.0003  0.3772  0.1070 -0.0074 -0.0075 -0.0002  0.0962 -0.3285
  o =  0.4729  v =  0.0033 -0.0607  0.0004  0.0748  0.0073  0.0020 -0.5628 -0.0017  0.0053 -0.0638      0.0000  0.0906  0.0000  0.0744 -0.5817 -0.0024 -0.0090  0.0015 -0.5612 -0.0518
  o =  0.5683  v =  0.1282 -0.4208 -0.0015  0.4406 -0.0001  0.0218  0.0791  0.3507 -0.0013  0.0134      0.0000 -0.4261  0.0011 -0.3944 -0.1713 -0.0104 -0.0006 -0.3303  0.0762  0.0302
  o =  0.5761  v = -0.5801 -0.0407 -0.0274  0.0340  0.0003 -0.1150 -0.2879  0.1004  0.0247 -0.1452      0.0000 -0.1631  0.0179 -0.1545  0.5768  0.1312  0.0250 -0.0984 -0.3238 -0.1273
  o =  0.5825  v = -0.1858 -0.1197  0.4191  0.1642 -0.0004  0.3262 -0.1077  0.0216 -0.3165  0.3572      0.0000  0.1268 -0.0494  0.1095  0.1431 -0.4126 -0.3169 -0.0050 -0.0329  0.2820
  o =  0.5851  v = -0.1144 -0.1152 -0.5663  0.0983  0.0002  0.3487 -0.0673  0.0088  0.3809  0.2152      0.0000  0.0907 -0.0450  0.1154  0.0766 -0.2869  0.3816 -0.0042 -0.0062  0.2613
  o =  0.6218  v =  0.2711  0.2320  0.0005 -0.2518 -0.0000  0.0448 -0.0744  0.6057 -0.0039 -0.0168      0.0000  0.2347 -0.0007  0.2101  0.1546 -0.0332 -0.0039 -0.5513 -0.0759 -0.0239
  o =  0.6248  v = -0.6983  0.0482 -0.0352 -0.0489 -0.0002 -0.1487  0.2218  0.2016 -0.0199  0.1053      0.0000  0.1458  0.0282  0.1346 -0.4551  0.1673 -0.0200 -0.1873  0.2519  0.0932
  o =  0.6304  v =  0.1612 -0.1110 -0.5033  0.1570  0.0002 -0.2862 -0.1166 -0.0282 -0.3365  0.3257      0.0000  0.1225  0.0721  0.0976  0.1382  0.3825 -0.3361  0.0140 -0.0199  0.2438
  o =  0.6335  v = -0.1109  0.1514 -0.4860 -0.1291  0.0005  0.3506  0.0807  0.0054 -0.3663 -0.2719      0.0000 -0.1160 -0.0370 -0.1458 -0.1080 -0.2896 -0.3661 -0.0022  0.0244 -0.3287
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6052  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0195
  0.0001  0.5469  0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0000  0.0393  0.0016
 -0.0000  0.0000  0.6075 -0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5467  0.0003     -0.0000 -0.0393 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0003  0.5545     -0.0195 -0.0016 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0001  0.0097 -0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0030  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0169  0.0004 -0.0421
 -0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165  0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169 -0.0025 -0.0423      0.0097  0.0003  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0435 -0.0035      0.0001  0.0436  0.0000 -0.0001 -0.0001
 
spin component  3
 
 -0.0001 -0.0097 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0030  0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0165 -0.0003 -0.0436
 -0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0165 -0.0025  0.0435      0.0097 -0.0004  0.0000 -0.0000  0.0001
 -0.0000  0.0000 -0.0000 -0.0423 -0.0035     -0.0001  0.0421 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6059 -0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0198
 -0.0001  0.5599 -0.0000  0.0000  0.0001      0.0000  0.0000  0.0000 -0.0457  0.0017
 -0.0000 -0.0000  0.6081  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5598 -0.0003     -0.0000  0.0457 -0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0000 -0.0003  0.5674      0.0198 -0.0017  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4688  v =  0.0015 -0.5845  0.0001 -0.0172  0.0074  0.0081 -0.1376  0.0000  0.0067  0.0154      0.0000 -0.0173 -0.0018  0.5812 -0.1395  0.0002 -0.0071 -0.0005 -0.1209 -0.5163
  o =  0.4715  v = -0.0016 -0.1315 -0.0001  0.0090  0.0216  0.0033  0.5562  0.0001  0.0216 -0.0071      0.0000  0.0085 -0.0006  0.1501  0.5660 -0.0002 -0.0213  0.0020  0.5619 -0.1148
  o =  0.5708  v = -0.1553 -0.5902 -0.0014 -0.0144 -0.0001  0.0231 -0.0903 -0.0119  0.0018 -0.0021      0.0000  0.0127 -0.0056 -0.5611  0.1902  0.0013  0.0011 -0.5094 -0.0833  0.0290
  o =  0.5768  v =  0.5771 -0.0547  0.0035 -0.0105  0.0000 -0.2095  0.3394 -0.0050 -0.0025 -0.0132      0.0000 -0.0010  0.0557 -0.2521 -0.5545  0.0128 -0.0030 -0.1629  0.2358 -0.2193
  o =  0.5813  v =  0.2201 -0.2033 -0.0129  0.0114  0.0009  0.4800 -0.2560  0.0012  0.0097  0.0253      0.0000  0.0104 -0.4407  0.1491 -0.1774 -0.0288  0.0110 -0.0361  0.4285  0.4235
  o =  0.5837  v = -0.1184  0.1767 -0.0075 -0.0086  0.0006 -0.4726 -0.4142 -0.0034  0.0049 -0.0154      0.0000 -0.0049 -0.5315 -0.1516  0.0843  0.0201  0.0053  0.0127  0.3338 -0.3672
  o =  0.6225  v =  0.2830 -0.3642  0.0032 -0.0077 -0.0002 -0.0595 -0.0931  0.0178  0.0023  0.0002      0.0000  0.0079  0.0140 -0.3320  0.1715 -0.0010  0.0018  0.7928 -0.0721  0.0331
  o =  0.6254  v = -0.6668 -0.0694  0.0000 -0.0077  0.0002  0.2535  0.2707  0.0072 -0.0004 -0.0080      0.0000  0.0004 -0.0717 -0.2268 -0.4551 -0.0124 -0.0004  0.2863  0.1957 -0.1697
  o =  0.6292  v = -0.2024 -0.1835  0.0104  0.0068 -0.0002 -0.4450 -0.2650  0.0015  0.0068  0.0165      0.0000  0.0080  0.5362  0.1377 -0.1679  0.0199  0.0067  0.0315  0.4295  0.3687
  o =  0.6319  v = -0.1215 -0.2128 -0.0074  0.0107  0.0002 -0.4832  0.3980 -0.0035 -0.0055  0.0180      0.0000  0.0056 -0.4763  0.1852 -0.1128  0.0203 -0.0053  0.0222 -0.2888  0.4351
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5600 -0.0000  0.0000  0.0002     -0.0000  0.0000 -0.0000  0.0452 -0.0003
 -0.0000 -0.0000  0.6082  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5600 -0.0001      0.0000 -0.0452  0.0000  0.0000 -0.0002
  0.0000  0.0002  0.0000 -0.0001  0.5677     -0.0198  0.0003 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0007 -0.0000 -0.0000  0.0001     -0.0000 -0.0004 -0.0165 -0.0000 -0.0434
 -0.0000 -0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0165  0.0006 -0.0434      0.0097 -0.0000  0.0000 -0.0004  0.0001
 -0.0000  0.0000  0.0000  0.0421  0.0006     -0.0000  0.0419  0.0000  0.0000 -0.0003
 
spin component  3
 
  0.0000 -0.0097 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0007 -0.0000 -0.0000  0.0000     -0.0000  0.0004 -0.0168  0.0000 -0.0419
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0006  0.0421      0.0097  0.0000  0.0000  0.0004 -0.0000
 -0.0000  0.0001  0.0000 -0.0434  0.0006      0.0000  0.0434 -0.0000 -0.0001  0.0003
 
spin component  4
 
  0.6053  0.0000 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0195
  0.0000  0.5470  0.0000 -0.0001 -0.0001     -0.0000 -0.0000 -0.0000 -0.0392 -0.0003
 -0.0000  0.0000  0.6076 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5468  0.0001      0.0000  0.0392  0.0000 -0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5551      0.0195  0.0003  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4695  v = -0.0089  0.0252  0.0000  0.0115 -0.0034  0.0003 -0.5992  0.0003 -0.0040 -0.0114      0.0000  0.0092  0.0002 -0.0210 -0.5275  0.0002  0.0036  0.0005 -0.6004  0.0252
  o =  0.4723  v =  0.0007  0.4869  0.0005  0.3037 -0.0030  0.0015  0.0262  0.0000 -0.0058 -0.3077      0.0000  0.3035 -0.0003 -0.4876  0.0221  0.0009  0.0012 -0.0001  0.0290  0.4940
  o =  0.5714  v = -0.0039  0.0063  0.5191  0.0203  0.0003 -0.0159  0.1288 -0.0023 -0.5811  0.0498      0.0000  0.0245  0.1168 -0.0118  0.0053 -0.0412 -0.5822 -0.0028 -0.1331 -0.0193
  o =  0.5773  v =  0.0434 -0.3096  0.0353 -0.0792 -0.0002  0.6230 -0.0080  0.0028 -0.0326 -0.1597      0.0000 -0.0837 -0.0305  0.2942 -0.0446  0.1680 -0.0335 -0.0081  0.0487  0.5930
  o =  0.5818  v = -0.6337  0.1638 -0.0008  0.1294  0.0001  0.0467 -0.2363  0.1729 -0.0001 -0.0072      0.0000 -0.1356 -0.0029  0.1990  0.5457  0.0098 -0.0004  0.2365 -0.2319  0.0368
  o =  0.5827  v = -0.3103 -0.3776 -0.0043 -0.2757  0.0002  0.0135 -0.1133 -0.3671  0.0032 -0.0096      0.0000  0.2668 -0.0015 -0.3672  0.2549  0.0117  0.0038 -0.5038 -0.1105  0.0107
  o =  0.6229  v = -0.0065 -0.0097  0.8395 -0.0177 -0.0003 -0.0423 -0.0235 -0.0048  0.3742 -0.0432      0.0000 -0.0236  0.0556  0.0159 -0.0030 -0.0699  0.3746 -0.0051  0.0262  0.0264
  o =  0.6256  v =  0.0529  0.2584  0.0660  0.0817 -0.0001  0.7170  0.0089  0.0013  0.0345  0.1639      0.0000  0.0840 -0.0490 -0.2444  0.0355  0.2364  0.0347 -0.0129 -0.0422 -0.4976
  o =  0.6298  v =  0.5494  0.2258 -0.0040  0.1807  0.0001 -0.0410 -0.2069 -0.2795 -0.0016 -0.0071      0.0000 -0.1874  0.0027  0.2597  0.4594 -0.0081 -0.0019 -0.3683 -0.2032  0.0350
  o =  0.6306  v = -0.4422  0.3116 -0.0064  0.2349 -0.0001  0.0204  0.1727 -0.3368 -0.0035  0.0121      0.0000 -0.2235 -0.0022  0.2943 -0.3795  0.0138 -0.0040 -0.4452  0.1700 -0.0179
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064 -0.0000 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5630  0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0000  0.0463 -0.0005
 -0.0000  0.0000  0.6086  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5628 -0.0000      0.0000 -0.0463  0.0000  0.0000 -0.0006
 -0.0000  0.0000 -0.0000 -0.0000  0.5708     -0.0198  0.0005 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008  0.0000  0.0002 -0.0000     -0.0000 -0.0009 -0.0163 -0.0000 -0.0433
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0163  0.0005 -0.0432      0.0097 -0.0000  0.0000 -0.0012 -0.0000
 -0.0000 -0.0001  0.0000  0.0410  0.0008     -0.0000  0.0412  0.0000 -0.0001 -0.0013
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0001 -0.0001     -0.0000  0.0009 -0.0169  0.0000 -0.0412
  0.0000  0.0000  0.0000  0.0163  0.0000      0.0000  0.0163  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0169  0.0005  0.0410      0.0097  0.0000  0.0000  0.0012  0.0001
 -0.0000 -0.0000  0.0000 -0.0432  0.0008      0.0000  0.0433 -0.0000  0.0000  0.0013
 
spin component  4
 
  0.6053  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0194
  0.0000  0.5437 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0366 -0.0004
 -0.0000 -0.0000  0.6077 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5437  0.0000      0.0000  0.0366  0.0000 -0.0000 -0.0006
  0.0000 -0.0000  0.0000  0.0000  0.5522      0.0194  0.0004  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v =  0.0109 -0.0205 -0.0001 -0.0400 -0.0027 -0.0004  0.6037 -0.0007 -0.0027  0.0412      0.0000 -0.0331  0.0001  0.0165  0.5159 -0.0006  0.0033 -0.0005  0.6031 -0.0210
  o =  0.4736  v = -0.0013 -0.2908 -0.0009 -0.4860 -0.0026 -0.0022 -0.0482  0.0001  0.0011  0.5093      0.0000 -0.4867 -0.0005  0.2910 -0.0352 -0.0037  0.0068  0.0000 -0.0438 -0.3045
  o =  0.5673  v =  0.0021  0.0127 -0.1236 -0.0261  0.0010 -0.0156 -0.5929 -0.0004  0.1561 -0.0603      0.0000 -0.0271 -0.4696 -0.0070 -0.0029  0.0441  0.1571  0.0030  0.5965 -0.0214
  o =  0.5759  v =  0.0690 -0.1849  0.0476 -0.2810  0.0001  0.3456  0.0528 -0.0099 -0.0470 -0.5124      0.0000 -0.2608  0.0194  0.1768 -0.0764  0.5176 -0.0470 -0.0039  0.0148  0.3419
  o =  0.5830  v =  0.6781 -0.0717 -0.0051 -0.1016  0.0002 -0.0461  0.2351 -0.1734  0.0050  0.0524      0.0000  0.1531 -0.0007 -0.1051 -0.5688 -0.0708  0.0049 -0.1206  0.2358 -0.0339
  o =  0.5847  v =  0.2268  0.2692  0.0014  0.3867  0.0001 -0.0099  0.0765  0.5641 -0.0025  0.0068      0.0000 -0.3806  0.0027  0.2626 -0.1731 -0.0098 -0.0019  0.3911  0.0743 -0.0072
  o =  0.6215  v = -0.0066 -0.0041  0.6615 -0.0271 -0.0003 -0.0270 -0.2190 -0.0030  0.2611 -0.0580      0.0000 -0.0292  0.5591  0.0103 -0.0026 -0.1018  0.2607 -0.0032  0.2218  0.0152
  o =  0.6245  v =  0.0892  0.1495  0.0990  0.2211 -0.0003  0.4334 -0.0435 -0.0144  0.0475  0.4123      0.0000  0.2066  0.0374 -0.1442  0.0556  0.6313  0.0475 -0.0056 -0.0078 -0.2829
  o =  0.6311  v =  0.6306  0.1009 -0.0084  0.1402 -0.0001 -0.0401 -0.2391 -0.2410 -0.0046 -0.0548      0.0000 -0.1943 -0.0010  0.1365  0.5513 -0.0609 -0.0045 -0.1713 -0.2407  0.0359
  o =  0.6327  v =  0.2796 -0.2748  0.0033 -0.3856 -0.0001 -0.0138 -0.1168  0.5136  0.0018 -0.0140      0.0000  0.3724  0.0018 -0.2625  0.2575 -0.0149  0.0012  0.3642 -0.1134  0.0127
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6071  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5578 -0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0000  0.0428  0.0017
 -0.0001 -0.0000  0.6093 -0.0001  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5578  0.0004     -0.0000 -0.0428 -0.0000 -0.0000  0.0001
 -0.0000 -0.0002  0.0000  0.0004  0.5667     -0.0196 -0.0017 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0034 -0.0000  0.0000  0.0002     -0.0000  0.0003 -0.0163  0.0003 -0.0421
 -0.0000  0.0000 -0.0002 -0.0166 -0.0001      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0029 -0.0422      0.0096  0.0004  0.0000  0.0004  0.0002
  0.0000 -0.0000 -0.0001  0.0409 -0.0037      0.0001  0.0410 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0034  0.0000  0.0001 -0.0000     -0.0000 -0.0003 -0.0166 -0.0004 -0.0410
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0166 -0.0029  0.0409      0.0096 -0.0003  0.0000 -0.0004  0.0000
 -0.0000  0.0002 -0.0001 -0.0422 -0.0037     -0.0001  0.0421  0.0000 -0.0002 -0.0001
 
spin component  4
 
  0.6065 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5468 -0.0000 -0.0002  0.0002      0.0000 -0.0000  0.0000 -0.0379  0.0015
 -0.0001 -0.0000  0.6088  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0000  0.5468 -0.0004     -0.0000  0.0379 -0.0000  0.0000  0.0001
  0.0000  0.0002 -0.0000 -0.0004  0.5562      0.0194 -0.0015  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4713  v = -0.0078 -0.1645  0.0002 -0.0153  0.0027 -0.0016 -0.5785 -0.0003  0.0022  0.0152      0.0000 -0.0133 -0.0005  0.1432 -0.5115 -0.0002 -0.0037 -0.0025 -0.5733 -0.1635
  o =  0.4743  v =  0.0037 -0.5524  0.0004 -0.0408  0.0020 -0.0001  0.1559  0.0000  0.0006  0.0406      0.0000 -0.0408 -0.0025  0.5582  0.1374  0.0000 -0.0040  0.0006  0.1781 -0.5507
  o =  0.5703  v = -0.0278 -0.0842  0.1664 -0.0154  0.0018  0.1388 -0.5702  0.0026 -0.1995 -0.0412      0.0000 -0.0192 -0.4607  0.0749  0.0376  0.0311 -0.1991 -0.0059  0.5332  0.1835
  o =  0.5772  v =  0.2528  0.3757  0.0231  0.0211  0.0005 -0.5375 -0.0232  0.0189 -0.0216  0.0024      0.0000 -0.0180 -0.1483 -0.1763 -0.2737 -0.0020 -0.0219  0.1026  0.2677 -0.5411
  o =  0.5801  v = -0.2811 -0.3457  0.0049 -0.0442  0.0002 -0.2390 -0.1444 -0.0567 -0.0053  0.0087      0.0000  0.0531 -0.0430 -0.5576  0.2792 -0.0116 -0.0056 -0.5217 -0.0747 -0.2161
  o =  0.5832  v = -0.5699  0.3449 -0.0067  0.0325 -0.0001 -0.1932 -0.2322  0.0429  0.0039 -0.0005      0.0000 -0.0344 -0.0223  0.2015  0.4818  0.0023  0.0039  0.3558 -0.1938 -0.1532
  o =  0.6228  v =  0.0670 -0.0868 -0.2184 -0.0060 -0.0018 -0.2733 -0.3399 -0.0061 -0.0894 -0.0229      0.0000 -0.0150  0.7793  0.0619  0.0354 -0.0397 -0.0913  0.0199  0.3057  0.1585
  o =  0.6257  v = -0.3146  0.2813 -0.0385  0.0160 -0.0005  0.6505 -0.0414 -0.0306 -0.0196  0.0019      0.0000 -0.0137  0.2743 -0.1523 -0.2048  0.0033 -0.0202 -0.1279  0.2305 -0.4283
  o =  0.6279  v =  0.3081 -0.2858 -0.0143 -0.0314 -0.0001  0.2460 -0.1266  0.0640 -0.0067  0.0117      0.0000  0.0432  0.0443 -0.4665  0.2344  0.0141 -0.0070  0.6525 -0.0710 -0.1840
  o =  0.6310  v =  0.5771  0.3210  0.0057  0.0269 -0.0001  0.1899 -0.2413 -0.0436  0.0045 -0.0019      0.0000 -0.0299  0.0352  0.1654  0.4847 -0.0021  0.0045 -0.3685 -0.2002 -0.1631
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0001 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0001  0.5518 -0.0000 -0.0002 -0.0000      0.0000  0.0000  0.0001  0.0399  0.0019
 -0.0001 -0.0000  0.6091 -0.0001 -0.0000     -0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0002 -0.0001  0.5517  0.0005     -0.0000 -0.0399 -0.0000  0.0000  0.0006
  0.0000 -0.0000 -0.0000  0.0005  0.5611     -0.0195 -0.0019 -0.0000 -0.0006  0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0047 -0.0000 -0.0002  0.0001     -0.0000  0.0011 -0.0165  0.0004 -0.0415
 -0.0000  0.0000 -0.0002 -0.0164 -0.0001      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0165 -0.0038 -0.0414      0.0096  0.0003  0.0000  0.0014  0.0001
  0.0000 -0.0001 -0.0001  0.0417 -0.0049      0.0001  0.0416 -0.0000 -0.0001  0.0017
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0047  0.0000 -0.0003 -0.0001     -0.0000 -0.0011 -0.0164 -0.0003 -0.0416
 -0.0000 -0.0000 -0.0002  0.0165 -0.0001     -0.0000  0.0165 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0164 -0.0038  0.0417      0.0096 -0.0004  0.0000 -0.0014  0.0001
  0.0000  0.0001 -0.0001 -0.0414 -0.0049     -0.0001  0.0415  0.0000 -0.0001 -0.0017
 
spin component  4
 
  0.6068 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0195
 -0.0001  0.5528  0.0000 -0.0002  0.0000      0.0000 -0.0000  0.0001 -0.0407  0.0020
 -0.0001  0.0000  0.6091  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5528 -0.0005     -0.0000  0.0407 -0.0000 -0.0000  0.0007
  0.0000  0.0000  0.0000 -0.0005  0.5617      0.0195 -0.0020  0.0000 -0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4717  v = -0.0011 -0.4122  0.0018 -0.1591  0.0195  0.0017 -0.4040 -0.0007  0.0121  0.1491      0.0000 -0.1530 -0.0023  0.3913 -0.3817  0.0008 -0.0273 -0.0023 -0.3848 -0.3845
  o =  0.4741  v =  0.0046 -0.3718  0.0015 -0.1184  0.0053  0.0043  0.4275  0.0007 -0.0010  0.1108      0.0000 -0.1252 -0.0022  0.3957  0.3998  0.0013 -0.0117  0.0028  0.4462 -0.3484
  o =  0.5738  v = -0.2780 -0.5137  0.1184 -0.1523  0.0004  0.1984 -0.3117 -0.1001 -0.1300 -0.0943      0.0000  0.0675 -0.1558 -0.2961  0.3342  0.0778 -0.1295 -0.3765  0.0189  0.2367
  o =  0.5756  v = -0.0314 -0.1408 -0.1269 -0.1981  0.0010 -0.2295  0.4085 -0.1931  0.1313 -0.0089      0.0000  0.1901  0.4068 -0.3557  0.0409  0.0075  0.1229 -0.2406 -0.4218 -0.2626
  o =  0.5790  v = -0.3894  0.0694 -0.1871  0.0299 -0.0010  0.2951  0.0331  0.0775  0.1704 -0.0796      0.0000 -0.1136  0.2430  0.3592  0.3750  0.0843  0.1700  0.2367 -0.4051  0.2834
  o =  0.5827  v =  0.4512 -0.2802 -0.0910 -0.0864 -0.0006  0.4696  0.2875 -0.0305  0.0729 -0.1348      0.0000 -0.0374  0.1440  0.0811 -0.3763  0.1606  0.0723 -0.1242  0.0575  0.3931
  o =  0.6240  v = -0.4157  0.3334  0.1565  0.0780  0.0008  0.3272  0.2474 -0.1129  0.0688  0.0610      0.0000 -0.0202 -0.2787  0.1488 -0.2524  0.1042  0.0686 -0.5272 -0.0138 -0.1960
  o =  0.6252  v =  0.0838 -0.0527 -0.0658 -0.2468  0.0063  0.2527  0.2570  0.4114 -0.0268 -0.0995      0.0000  0.1574 -0.5743 -0.2006  0.0595 -0.1530 -0.0303  0.2681 -0.3032 -0.1694
  o =  0.6272  v =  0.4325  0.0611  0.2623  0.0426 -0.0002 -0.3296  0.0348 -0.1303  0.1420 -0.0503      0.0000 -0.0957 -0.3351  0.2911  0.3025 -0.0738  0.1429 -0.3192 -0.3349  0.2268
  o =  0.6306  v = -0.4468 -0.2778  0.1023 -0.0831  0.0002 -0.4663  0.2838  0.0336  0.0652 -0.1308      0.0000 -0.0394 -0.1708  0.0870 -0.3738 -0.1573  0.0655  0.1512  0.0664  0.3887
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6041 -0.0002 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0001  0.0200
 -0.0002  0.5502  0.0000 -0.0001 -0.0000     -0.0000 -0.0000 -0.0001  0.0411 -0.0043
 -0.0001  0.0000  0.6075  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5504 -0.0004      0.0001 -0.0411  0.0000  0.0000 -0.0006
  0.0000 -0.0000  0.0000 -0.0004  0.5610     -0.0200  0.0043 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0099  0.0082 -0.0000  0.0002  0.0001     -0.0000 -0.0010 -0.0168 -0.0007 -0.0441
  0.0000  0.0000  0.0004 -0.0167  0.0001     -0.0000  0.0167 -0.0001 -0.0000  0.0000
  0.0000  0.0003  0.0168  0.0062 -0.0437      0.0099 -0.0006  0.0000 -0.0010  0.0001
 -0.0000 -0.0000  0.0002  0.0450  0.0097     -0.0003  0.0449  0.0000 -0.0000 -0.0015
 
spin component  3
 
  0.0004 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0099  0.0003
  0.0099  0.0082  0.0000  0.0003 -0.0000     -0.0000  0.0010 -0.0167  0.0006 -0.0449
  0.0000 -0.0000  0.0004  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0062  0.0450      0.0099  0.0007  0.0000  0.0010  0.0000
 -0.0000  0.0001  0.0001 -0.0437  0.0097      0.0003  0.0441 -0.0000 -0.0001  0.0015
 
spin component  4
 
  0.6043  0.0002 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0001 -0.0202
  0.0002  0.5550 -0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001 -0.0436 -0.0045
 -0.0001 -0.0000  0.6078 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5547  0.0004      0.0001  0.0436  0.0000 -0.0000 -0.0006
  0.0000  0.0000 -0.0000  0.0004  0.5673      0.0202  0.0045  0.0000  0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4670  v =  0.0011  0.4857  0.0010  0.0569 -0.0148 -0.0034 -0.3581  0.0006 -0.0198 -0.0503      0.0000  0.0512 -0.0041 -0.4586 -0.3434 -0.0004  0.0100  0.0031 -0.3218  0.4414
  o =  0.4701  v = -0.0041 -0.3339 -0.0010 -0.0552  0.0022  0.0067 -0.4626  0.0006  0.0068  0.0496      0.0000 -0.0605  0.0032  0.3733 -0.4412  0.0010  0.0021  0.0044 -0.4906 -0.3008
  o =  0.5710  v = -0.3366  0.5260  0.0361  0.0718  0.0001 -0.2062 -0.2973  0.0468 -0.0424  0.0412      0.0000 -0.0348 -0.1147  0.2996  0.3973 -0.0334 -0.0418  0.3728 -0.0544 -0.2454
  o =  0.5762  v =  0.0815  0.1925 -0.1710 -0.0334 -0.0022  0.3155  0.3776  0.0094  0.1573 -0.0966      0.0000 -0.0436  0.3399  0.4517 -0.0676  0.0957  0.1616  0.3368 -0.2678  0.3212
  o =  0.5797  v = -0.4257 -0.1371 -0.1333 -0.0301 -0.0013 -0.1497  0.1545 -0.0392  0.1100  0.0021      0.0000  0.0399  0.4057 -0.2889  0.3453 -0.0059  0.1098 -0.2618 -0.5079 -0.1179
  o =  0.5855  v =  0.4359  0.2464 -0.0626  0.0340 -0.0006 -0.5956  0.2815  0.0154  0.0413  0.0544      0.0000  0.0139  0.2476 -0.0903 -0.2659 -0.0852  0.0406  0.1142 -0.0407 -0.3761
  o =  0.6221  v =  0.4734  0.3316 -0.0572  0.0375 -0.0007  0.3234 -0.2356 -0.0606 -0.0228  0.0271      0.0000 -0.0117  0.2082  0.1499  0.2932  0.0472 -0.0226 -0.5503 -0.0380 -0.1934
  o =  0.6255  v =  0.0726 -0.1524 -0.3526  0.1254  0.0046  0.2904 -0.2266 -0.1407 -0.1851  0.1343      0.0000 -0.0117  0.3768 -0.3385  0.0399  0.1772 -0.1910  0.4728  0.1650 -0.2162
  o =  0.6282  v =  0.4112 -0.1155  0.1575 -0.0332  0.0002  0.1850  0.1218  0.0643  0.0948  0.0012      0.0000  0.0394 -0.4652 -0.2703  0.3280  0.0043  0.0961  0.3110 -0.4545 -0.1356
  o =  0.6370  v =  0.3322 -0.3153 -0.0465 -0.0428 -0.0004 -0.4498 -0.3354  0.0121 -0.0392 -0.0719      0.0000 -0.0221  0.1922  0.1419  0.3736 -0.0645 -0.0396  0.1056 -0.0113  0.5005
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039 -0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0200
 -0.0001  0.5478  0.0000 -0.0001  0.0002     -0.0000  0.0000 -0.0000  0.0402 -0.0012
 -0.0001  0.0000  0.6074  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5478 -0.0004      0.0000 -0.0402  0.0000 -0.0000 -0.0006
  0.0000  0.0002 -0.0000 -0.0004  0.5590     -0.0200  0.0012 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0027 -0.0000  0.0001  0.0001     -0.0000 -0.0011 -0.0169 -0.0003 -0.0438
  0.0000  0.0000  0.0001 -0.0166  0.0000     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0023 -0.0437      0.0099 -0.0003  0.0000 -0.0012  0.0001
 -0.0000 -0.0001  0.0000  0.0451  0.0029     -0.0001  0.0451  0.0000 -0.0001 -0.0013
 
spin component  3
 
  0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0027  0.0000  0.0001 -0.0001     -0.0000  0.0011 -0.0166  0.0003 -0.0451
  0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0023  0.0451      0.0099  0.0003  0.0000  0.0012  0.0001
 -0.0000  0.0001  0.0000 -0.0437  0.0029      0.0001  0.0438 -0.0000 -0.0001  0.0013
 
spin component  4
 
  0.6044  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0202
  0.0001  0.5573 -0.0000 -0.0001 -0.0002     -0.0000 -0.0000 -0.0000 -0.0447 -0.0013
 -0.0001 -0.0000  0.6078 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5573  0.0005      0.0000  0.0447  0.0000  0.0000 -0.0006
 -0.0000 -0.0002  0.0000  0.0005  0.5693      0.0202  0.0013  0.0000  0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4673  v = -0.0009 -0.5163 -0.0014 -0.2485 -0.0217  0.0069  0.1790 -0.0002 -0.0157  0.2202      0.0000 -0.2466  0.0012  0.5106  0.1781  0.0033  0.0283 -0.0006  0.1682 -0.4561
  o =  0.4700  v =  0.0011  0.1674  0.0005  0.0581 -0.0056 -0.0037  0.5523 -0.0008 -0.0076 -0.0504      0.0000  0.0650 -0.0004 -0.1837  0.5403 -0.0015  0.0038 -0.0018  0.5562  0.1472
  o =  0.5720  v = -0.1441  0.5284  0.0022  0.2550  0.0002 -0.0197 -0.0715  0.2300 -0.0044  0.0157      0.0000 -0.2407 -0.0030  0.5059  0.1635 -0.0125 -0.0049  0.4799 -0.0686 -0.0236
  o =  0.5783  v =  0.6041  0.0240 -0.1079  0.0176 -0.0003  0.2212  0.3354  0.0654  0.0945 -0.0876      0.0000 -0.0954  0.0879  0.2058 -0.5208  0.0948  0.0939  0.1303  0.1827  0.2043
  o =  0.5801  v =  0.2453  0.1031  0.4408  0.0498  0.0011 -0.2134 -0.2080  0.0134 -0.3555  0.0913      0.0000  0.0214 -0.3744 -0.0412 -0.1941 -0.1052 -0.3543  0.0383  0.3952 -0.1857
  o =  0.5831  v = -0.1850 -0.2104  0.2172 -0.0826  0.0007  0.6104 -0.2066 -0.0040 -0.1557 -0.1821      0.0000 -0.0767 -0.2071  0.1832  0.1282  0.2471 -0.1557 -0.0170  0.0900  0.4498
  o =  0.6232  v = -0.2103 -0.3466  0.0029 -0.1652 -0.0001 -0.0374  0.0717  0.3461 -0.0019 -0.0113      0.0000  0.1544 -0.0086 -0.3248 -0.1416 -0.0203 -0.0017  0.7267  0.0586  0.0227
  o =  0.6270  v = -0.6109  0.0164  0.1889  0.0092  0.0001 -0.2482  0.3096 -0.0844  0.1100 -0.0884      0.0000 -0.0896 -0.1289  0.1915 -0.4733 -0.1139  0.1101 -0.1828  0.1605  0.1915
  o =  0.6285  v = -0.2676  0.0799 -0.5350  0.0480 -0.0003  0.1281 -0.1436 -0.0375 -0.3336  0.0698      0.0000  0.0088  0.4049 -0.0098 -0.2232  0.0809 -0.3342 -0.0567  0.3618 -0.1121
  o =  0.6326  v = -0.1758  0.2543  0.1687  0.1018 -0.0000  0.5484  0.1977 -0.0044  0.1238  0.2182      0.0000  0.0950 -0.1583 -0.2234 -0.1729  0.2260  0.1243 -0.0223 -0.0354 -0.5297
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6070  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0195
  0.0001  0.5574 -0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0000  0.0421  0.0016
 -0.0000 -0.0000  0.6092 -0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5569  0.0006     -0.0000 -0.0421 -0.0000  0.0000  0.0001
  0.0000 -0.0002  0.0000  0.0006  0.5664     -0.0195 -0.0016  0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0096  0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0035 -0.0000  0.0000 -0.0001     -0.0000  0.0003 -0.0163  0.0003 -0.0414
 -0.0000  0.0000 -0.0002 -0.0166 -0.0001      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0029 -0.0419      0.0096  0.0003 -0.0000  0.0003 -0.0001
  0.0000 -0.0001 -0.0001  0.0400 -0.0035      0.0001  0.0405 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0035  0.0000  0.0001 -0.0001      0.0000 -0.0003 -0.0166 -0.0003 -0.0405
  0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000  0.0000  0.0000
 -0.0000  0.0000 -0.0166 -0.0029  0.0400      0.0096 -0.0003  0.0000 -0.0003  0.0001
 -0.0000 -0.0001 -0.0001 -0.0419 -0.0035     -0.0001  0.0414  0.0000  0.0001 -0.0001
 
spin component  4
 
  0.6064 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0193
 -0.0001  0.5466 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0001 -0.0372  0.0016
 -0.0000 -0.0000  0.6087  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5470 -0.0005     -0.0000  0.0372 -0.0000 -0.0000  0.0001
 -0.0000  0.0001 -0.0000 -0.0005  0.5558      0.0193 -0.0016  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4723  v = -0.0077 -0.1734  0.0001 -0.0087 -0.0026 -0.0013 -0.5761 -0.0003 -0.0033  0.0085      0.0000 -0.0068 -0.0007  0.1527 -0.5101 -0.0002  0.0023 -0.0023 -0.5699 -0.1715
  o =  0.4751  v =  0.0042 -0.5506  0.0003 -0.0305 -0.0006 -0.0001  0.1645  0.0001 -0.0018  0.0303      0.0000 -0.0311 -0.0027  0.5570  0.1445  0.0001 -0.0012  0.0006  0.1875 -0.5484
  o =  0.5698  v = -0.0358 -0.0939 -0.0143  0.0110  0.0007  0.1517 -0.6070  0.0008  0.0166  0.0236      0.0000  0.0096 -0.4809  0.0833  0.0483 -0.0173  0.0180 -0.0066  0.5608  0.2034
  o =  0.5768  v =  0.2232  0.3531  0.0224  0.0492 -0.0001 -0.5432 -0.0534  0.0312 -0.0218  0.0366      0.0000 -0.0119 -0.1652 -0.2124 -0.2450 -0.0357 -0.0214  0.0713  0.2739 -0.5545
  o =  0.5792  v = -0.2768 -0.3889  0.0160 -0.0047 -0.0002 -0.1865 -0.1351 -0.0252 -0.0156  0.0356      0.0000  0.0402 -0.0284 -0.5579  0.2838 -0.0386 -0.0147 -0.5312 -0.0893 -0.1750
  o =  0.5828  v =  0.5786 -0.3321 -0.0028 -0.0210 -0.0001  0.1909  0.2336 -0.0298  0.0021  0.0039      0.0000  0.0256  0.0154 -0.1891 -0.4976 -0.0049  0.0025 -0.3345  0.2062  0.1546
  o =  0.6225  v = -0.0810  0.0952  0.0012 -0.0085  0.0009  0.3045  0.3466  0.0022  0.0002 -0.0146      0.0000 -0.0052 -0.7999 -0.0685 -0.0429 -0.0254  0.0006 -0.0217 -0.3056 -0.1738
  o =  0.6254  v = -0.2755  0.2572 -0.0408  0.0354 -0.0003  0.6629 -0.0695 -0.0407 -0.0206  0.0294      0.0000 -0.0057  0.3096 -0.1788 -0.1759  0.0453 -0.0205 -0.0800  0.2334 -0.4310
  o =  0.6272  v = -0.3259  0.3093  0.0270  0.0056  0.0003 -0.1931  0.1173 -0.0348  0.0140 -0.0275      0.0000 -0.0331 -0.0219  0.4463 -0.2402 -0.0375  0.0138 -0.6758  0.0869  0.1412
  o =  0.6305  v =  0.5905  0.3093 -0.0031  0.0190  0.0002  0.1845 -0.2377 -0.0323 -0.0020 -0.0031      0.0000 -0.0227  0.0275  0.1607  0.4879 -0.0039 -0.0020 -0.3618 -0.2072 -0.1570
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6067  0.0001 -0.0000  0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000  0.0194
  0.0001  0.5513 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0001  0.0390  0.0020
 -0.0000 -0.0000  0.6090 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5516  0.0004     -0.0000 -0.0390 -0.0000  0.0000  0.0005
 -0.0000 -0.0000 -0.0000  0.0004  0.5605     -0.0194 -0.0020 -0.0000 -0.0005 -0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0047 -0.0000 -0.0002 -0.0000      0.0000  0.0011 -0.0164  0.0004 -0.0408
 -0.0000  0.0000 -0.0002 -0.0164 -0.0001      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0164 -0.0037 -0.0403      0.0096  0.0004  0.0000  0.0012 -0.0000
  0.0000 -0.0000 -0.0001  0.0410 -0.0050      0.0001  0.0407 -0.0000 -0.0000  0.0015
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0047  0.0000 -0.0003 -0.0000     -0.0000 -0.0011 -0.0164 -0.0004 -0.0407
 -0.0000 -0.0000 -0.0002  0.0164 -0.0001     -0.0000  0.0164 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0164 -0.0037  0.0410      0.0096 -0.0004  0.0000 -0.0012  0.0000
  0.0000 -0.0000 -0.0001 -0.0403 -0.0050     -0.0001  0.0408  0.0000  0.0000 -0.0015
 
spin component  4
 
  0.6068 -0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5524  0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0001 -0.0398  0.0019
 -0.0000  0.0000  0.6090  0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5520 -0.0005     -0.0000  0.0398 -0.0000 -0.0000  0.0006
  0.0000  0.0000  0.0000 -0.0005  0.5614      0.0194 -0.0019  0.0000 -0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4730  v = -0.0014 -0.4172  0.0014 -0.1119 -0.0086  0.0016 -0.4158 -0.0007 -0.0150  0.1041      0.0000 -0.1053 -0.0023  0.3955 -0.3910  0.0005  0.0029 -0.0025 -0.3958 -0.3902
  o =  0.4753  v =  0.0044 -0.3828  0.0015 -0.1186 -0.0063  0.0046  0.4173  0.0007 -0.0130  0.1107      0.0000 -0.1246 -0.0022  0.4071  0.3902  0.0013  0.0005  0.0029  0.4366 -0.3586
  o =  0.5730  v = -0.2719 -0.5329  0.0962 -0.1220 -0.0004  0.2006 -0.3150 -0.0789 -0.1082 -0.0730      0.0000  0.0550 -0.1548 -0.3070  0.3362  0.0593 -0.1073 -0.3811  0.0213  0.2455
  o =  0.5748  v = -0.0530 -0.1422 -0.0973 -0.1712  0.0020 -0.2025  0.4357 -0.1582  0.1027 -0.0190      0.0000  0.1550  0.4355 -0.3340  0.0662  0.0162  0.0962 -0.2252 -0.4734 -0.2399
  o =  0.5781  v =  0.3836 -0.0982  0.1534 -0.0182  0.0001 -0.2983 -0.0042 -0.0642 -0.1448  0.0852      0.0000  0.1055 -0.2105 -0.3990 -0.3826 -0.0861 -0.1443 -0.2658  0.3861 -0.2983
  o =  0.5822  v = -0.4410  0.2775  0.0866  0.0843 -0.0000 -0.4731 -0.2928  0.0318 -0.0701  0.1289      0.0000  0.0340 -0.1483 -0.0963  0.3777 -0.1498 -0.0693  0.1111 -0.0515 -0.4055
  o =  0.6234  v = -0.4256  0.3328  0.1232  0.0647  0.0008  0.3383  0.2432 -0.0970  0.0530  0.0482      0.0000 -0.0183 -0.2771  0.1468 -0.2519  0.0835  0.0525 -0.5384 -0.0101 -0.1972
  o =  0.6247  v =  0.1112 -0.0750 -0.0270 -0.1920  0.0044  0.2470  0.2656  0.3283 -0.0085 -0.0757      0.0000  0.1239 -0.6220 -0.2150  0.0760 -0.1184 -0.0116  0.3126 -0.3269 -0.1622
  o =  0.6264  v = -0.4369 -0.0877 -0.2319 -0.0355  0.0001  0.3386 -0.0164  0.1226 -0.1208  0.0521      0.0000  0.0896  0.3053 -0.3152 -0.2947  0.0792 -0.1213  0.3789  0.3101 -0.2259
  o =  0.6299  v =  0.4442  0.2711 -0.1024  0.0802 -0.0004  0.4816 -0.2831 -0.0346 -0.0643  0.1231      0.0000  0.0353  0.1823 -0.0972  0.3636  0.1515 -0.0644 -0.1417 -0.0565 -0.3914
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039 -0.0002 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0200
 -0.0002  0.5503  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0001  0.0413 -0.0039
 -0.0001  0.0000  0.6073  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5501 -0.0004      0.0001 -0.0413  0.0000  0.0000 -0.0006
  0.0000  0.0000  0.0000 -0.0004  0.5608     -0.0200  0.0039 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0003  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0002
 -0.0099  0.0076 -0.0000  0.0002 -0.0000     -0.0000 -0.0009 -0.0169 -0.0006 -0.0440
  0.0000  0.0000  0.0004 -0.0167  0.0001     -0.0000  0.0167 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0169  0.0058 -0.0440      0.0099 -0.0006  0.0000 -0.0011 -0.0000
 -0.0000 -0.0001  0.0001  0.0448  0.0090     -0.0002  0.0451  0.0000 -0.0001 -0.0014
 
spin component  3
 
  0.0003 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0002
  0.0099  0.0076  0.0000  0.0002 -0.0001     -0.0000  0.0009 -0.0167  0.0006 -0.0451
  0.0000 -0.0000  0.0004  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0058  0.0448      0.0099  0.0006  0.0000  0.0011  0.0001
 -0.0000 -0.0000  0.0001 -0.0440  0.0090      0.0002  0.0440 -0.0000  0.0000  0.0014
 
spin component  4
 
  0.6043  0.0002 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0001 -0.0202
  0.0002  0.5556 -0.0000 -0.0002  0.0000     -0.0000  0.0000 -0.0001 -0.0441 -0.0040
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5558  0.0005      0.0001  0.0441  0.0000 -0.0000 -0.0006
 -0.0000  0.0000 -0.0000  0.0005  0.5675      0.0202  0.0040  0.0000  0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4670  v = -0.0012 -0.4975 -0.0012 -0.0674  0.0172  0.0039  0.3382 -0.0007  0.0232  0.0588      0.0000 -0.0609  0.0039  0.4733  0.3259  0.0007 -0.0119 -0.0027  0.3035 -0.4507
  o =  0.4701  v =  0.0037  0.3157  0.0007  0.0543  0.0075 -0.0066  0.4761 -0.0006  0.0044 -0.0490      0.0000  0.0595 -0.0028 -0.3536  0.4568 -0.0010 -0.0109 -0.0043  0.5006  0.2831
  o =  0.5715  v = -0.3344  0.5301  0.0239  0.0884  0.0009 -0.1824 -0.2744  0.0634 -0.0283  0.0417      0.0000 -0.0512 -0.1018  0.3332  0.3851 -0.0341 -0.0288  0.3996 -0.0659 -0.2129
  o =  0.5764  v = -0.1484 -0.1619  0.1122 -0.0290  0.0019 -0.3559 -0.3937 -0.0575 -0.1029  0.0500      0.0000  0.0708 -0.3327 -0.4568  0.1299 -0.0515 -0.1020 -0.3296  0.2259 -0.3553
  o =  0.5800  v =  0.4319  0.1234  0.1383  0.0303  0.0028  0.0982 -0.1816  0.0421 -0.1108 -0.0054      0.0000 -0.0427 -0.4451  0.2331 -0.3437  0.0100 -0.1105  0.2258  0.5296  0.0724
  o =  0.5852  v = -0.4159 -0.2486  0.0787 -0.0315  0.0015  0.5972 -0.2836 -0.0068 -0.0522 -0.0595      0.0000 -0.0215 -0.2565  0.0946  0.2568  0.0918 -0.0517 -0.1122  0.0500  0.3837
  o =  0.6224  v = -0.4616 -0.3439  0.0393 -0.0476  0.0005 -0.2888  0.2274  0.0814  0.0146 -0.0268      0.0000  0.0222 -0.1843 -0.1784 -0.2928 -0.0471  0.0150  0.5785  0.0457  0.1762
  o =  0.6256  v = -0.1360  0.1367  0.2119 -0.0263 -0.0005 -0.3626  0.2809 -0.0009  0.1148 -0.0714      0.0000 -0.0355 -0.4256  0.3731 -0.0864 -0.0930  0.1180 -0.4835 -0.1732  0.2706
  o =  0.6285  v = -0.4107  0.1037 -0.1538  0.0341 -0.0006 -0.1438 -0.1475 -0.0659 -0.0951 -0.0041      0.0000 -0.0427  0.4993  0.2295 -0.3349 -0.0072 -0.0977 -0.2613  0.4850  0.1044
  o =  0.6364  v = -0.3261  0.3151  0.0570  0.0391  0.0002  0.4584  0.3325 -0.0062  0.0468  0.0755      0.0000  0.0293 -0.1970 -0.1434 -0.3607  0.0690  0.0479 -0.1059  0.0038 -0.5024
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0200
 -0.0001  0.5491  0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0000  0.0411 -0.0015
 -0.0001  0.0000  0.6072  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5496 -0.0005      0.0000 -0.0411  0.0000 -0.0000 -0.0004
 -0.0000  0.0002  0.0000 -0.0005  0.5599     -0.0200  0.0015 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0034 -0.0000  0.0000 -0.0000     -0.0000 -0.0007 -0.0169 -0.0004 -0.0442
  0.0000  0.0000  0.0002 -0.0167  0.0000     -0.0000  0.0167 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169  0.0028 -0.0437      0.0099 -0.0003  0.0000 -0.0009 -0.0000
 -0.0000 -0.0001  0.0000  0.0453  0.0036     -0.0001  0.0449  0.0000 -0.0001 -0.0008
 
spin component  3
 
  0.0002 -0.0099  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0099  0.0001
  0.0099  0.0034  0.0000  0.0000 -0.0001     -0.0000  0.0007 -0.0167  0.0003 -0.0449
  0.0000 -0.0000  0.0002  0.0169  0.0000      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000  0.0000 -0.0167  0.0028  0.0453      0.0099  0.0004  0.0000  0.0009  0.0001
 -0.0000 -0.0000  0.0000 -0.0437  0.0036      0.0001  0.0442 -0.0000  0.0000  0.0008
 
spin component  4
 
  0.6043  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0202
  0.0001  0.5567 -0.0000 -0.0002 -0.0002     -0.0000 -0.0000 -0.0000 -0.0444 -0.0016
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5563  0.0005      0.0000  0.0444  0.0000  0.0000 -0.0004
  0.0000 -0.0002 -0.0000  0.0005  0.5684      0.0202  0.0016  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4674  v =  0.0008  0.5389  0.0010  0.1135 -0.0065 -0.0063 -0.2391  0.0004 -0.0109 -0.1008      0.0000  0.1098 -0.0019 -0.5303 -0.2330 -0.0013  0.0021  0.0009 -0.2220  0.4819
  o =  0.4699  v = -0.0020 -0.2260 -0.0002 -0.0572  0.0058  0.0044 -0.5316  0.0005  0.0069  0.0503      0.0000 -0.0609  0.0008  0.2447 -0.5154  0.0012 -0.0051  0.0021 -0.5392 -0.2012
  o =  0.5733  v = -0.1951  0.5566  0.0020  0.1550  0.0002 -0.0518 -0.0995  0.1447 -0.0039  0.0142      0.0000 -0.1432 -0.0098  0.5029  0.2119 -0.0101 -0.0044  0.5152 -0.0846 -0.0575
  o =  0.5785  v = -0.4923 -0.0296  0.1797 -0.0014  0.0010 -0.3086 -0.3854 -0.0477 -0.1544  0.0875      0.0000  0.0764 -0.2050 -0.2770  0.4219 -0.0965 -0.1543 -0.1765 -0.0347 -0.2808
  o =  0.5795  v =  0.3825  0.1079  0.3130  0.0539  0.0024 -0.1054 -0.1967  0.0306 -0.2551  0.0683      0.0000 -0.0022 -0.4261  0.0448 -0.3121 -0.0762 -0.2555  0.0936  0.5006 -0.0964
  o =  0.5830  v =  0.2460  0.2240 -0.1153  0.0403 -0.0013 -0.6390  0.2630  0.0030  0.0826  0.0830      0.0000  0.0331  0.2597 -0.1892 -0.1716 -0.1135  0.0830  0.0218 -0.1068 -0.4666
  o =  0.6237  v = -0.2626 -0.3837  0.0019 -0.1038  0.0000 -0.0807  0.0982  0.2066 -0.0019 -0.0092      0.0000  0.0954 -0.0232 -0.3345 -0.1808 -0.0174 -0.0016  0.7431  0.0682  0.0521
  o =  0.6272  v = -0.4407  0.0123  0.3183 -0.0148  0.0004 -0.3188  0.3514 -0.0407  0.1870 -0.0937      0.0000 -0.0678 -0.3087  0.2392 -0.3416 -0.1170  0.1885 -0.2180 -0.0118  0.2508
  o =  0.6280  v = -0.4460  0.0855 -0.3581  0.0542 -0.0004 -0.0020 -0.0886 -0.0622 -0.2198  0.0483      0.0000 -0.0161  0.4327  0.0942 -0.3631  0.0565 -0.2221 -0.1461  0.4452 -0.0057
  o =  0.6326  v = -0.2252  0.2686  0.0950  0.0478  0.0002  0.5643  0.2589 -0.0037  0.0693  0.1008      0.0000  0.0438 -0.2089 -0.2293 -0.2214  0.1038  0.0706 -0.0285 -0.0514 -0.5469
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6051 -0.0000 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5484 -0.0000 -0.0003 -0.0002      0.0000  0.0000 -0.0000  0.0403 -0.0005
 -0.0001 -0.0000  0.6074  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5483 -0.0000      0.0000 -0.0403 -0.0000  0.0000  0.0006
 -0.0000 -0.0002  0.0000 -0.0000  0.5556     -0.0196  0.0005 -0.0000 -0.0006 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0011 -0.0000 -0.0000  0.0001     -0.0000  0.0011 -0.0168 -0.0001 -0.0420
 -0.0000  0.0000  0.0001 -0.0165 -0.0000     -0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0168  0.0008 -0.0421      0.0097 -0.0001  0.0000  0.0013  0.0001
  0.0000 -0.0001 -0.0000  0.0431  0.0013     -0.0000  0.0432 -0.0000 -0.0001  0.0014
 
spin component  3
 
  0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0011  0.0000 -0.0000 -0.0001     -0.0000 -0.0011 -0.0165  0.0001 -0.0432
 -0.0000 -0.0000  0.0001  0.0168 -0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0165  0.0008  0.0431      0.0097  0.0001  0.0000 -0.0013  0.0001
  0.0000  0.0001 -0.0000 -0.0421  0.0013      0.0000  0.0420  0.0000 -0.0001 -0.0014
 
spin component  4
 
  0.6057  0.0000 -0.0001 -0.0001  0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0000  0.5578  0.0000 -0.0003  0.0002      0.0000 -0.0000 -0.0000 -0.0442 -0.0005
 -0.0001  0.0000  0.6079 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0003 -0.0000  0.5579  0.0000      0.0000  0.0442 -0.0000 -0.0000  0.0006
  0.0000  0.0002 -0.0000  0.0000  0.5658      0.0198  0.0005  0.0000 -0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4693  v =  0.0008  0.3320 -0.0011 -0.4877 -0.0191 -0.0043 -0.0875 -0.0001 -0.0141  0.4362      0.0000 -0.4875  0.0004 -0.3318 -0.0937  0.0063  0.0238  0.0001 -0.0901  0.2969
  o =  0.4716  v = -0.0007  0.0648 -0.0003 -0.0652  0.0122 -0.0013  0.5700  0.0010  0.0137  0.0574      0.0000 -0.0733 -0.0000 -0.0722  0.5695  0.0016 -0.0107 -0.0008  0.5697  0.0580
  o =  0.5728  v = -0.1160  0.3407  0.0071 -0.4706 -0.0002 -0.0015 -0.0584 -0.4391 -0.0069 -0.0083      0.0000  0.4613  0.0026  0.3394  0.1333  0.0085 -0.0060  0.3205 -0.0632  0.0008
  o =  0.5771  v = -0.6193 -0.0140 -0.0214  0.0421 -0.0001 -0.1059 -0.3058  0.0953  0.0168 -0.1000      0.0000 -0.1345 -0.0090 -0.1121  0.5907  0.0980  0.0163 -0.0674 -0.2901 -0.1084
  o =  0.5803  v =  0.1100  0.1392 -0.5181 -0.1099 -0.0000 -0.3187  0.0669 -0.0152  0.4197 -0.2301      0.0000 -0.0859  0.0261 -0.1079 -0.0956  0.2539  0.4184  0.0187  0.0242 -0.2888
  o =  0.5817  v = -0.1185 -0.1451 -0.4105  0.1554 -0.0006  0.3738  0.0163  0.0100  0.3125  0.3365      0.0000  0.1442  0.0789  0.1341  0.0912 -0.4006  0.3127 -0.0103 -0.1037  0.3144
  o =  0.6234  v =  0.2063  0.2163 -0.0134 -0.3177 -0.0002  0.0070 -0.0598  0.6638 -0.0083 -0.0116      0.0000  0.3059 -0.0055  0.2095  0.1318 -0.0172 -0.0077 -0.4532 -0.0666 -0.0061
  o =  0.6256  v =  0.7133 -0.0201  0.0205  0.0522 -0.0001  0.1287 -0.2560 -0.1719  0.0139 -0.0819      0.0000 -0.1293  0.0115 -0.1018  0.4972 -0.1206  0.0135  0.1151 -0.2431 -0.0878
  o =  0.6282  v = -0.0998  0.1202  0.6342 -0.0930  0.0007  0.2960  0.0646  0.0198  0.3929 -0.1834      0.0000 -0.0695 -0.0429 -0.0899 -0.0782 -0.2301  0.3929 -0.0262  0.0109 -0.2356
  o =  0.6298  v = -0.1248  0.1613 -0.3796 -0.1716 -0.0001  0.4013 -0.0018  0.0111 -0.2526 -0.3564      0.0000 -0.1547  0.0816 -0.1471 -0.1077 -0.4240 -0.2531 -0.0074  0.1062 -0.3376
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053  0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0195
  0.0001  0.5445 -0.0000 -0.0001 -0.0000     -0.0000  0.0000  0.0000  0.0373  0.0019
 -0.0001 -0.0000  0.6077 -0.0001  0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5449  0.0003     -0.0000 -0.0373  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0000  0.0003  0.5524     -0.0195 -0.0019 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0036 -0.0000 -0.0001  0.0002     -0.0000  0.0001 -0.0169  0.0005 -0.0416
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0030 -0.0413      0.0097  0.0004  0.0000  0.0001  0.0002
  0.0000 -0.0000 -0.0000  0.0439 -0.0041      0.0001  0.0436  0.0000 -0.0000  0.0002
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0036  0.0000 -0.0001 -0.0000     -0.0000 -0.0001 -0.0164 -0.0004 -0.0436
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0030  0.0439      0.0097 -0.0005  0.0000 -0.0001  0.0000
  0.0000  0.0002 -0.0000 -0.0413 -0.0041     -0.0001  0.0416 -0.0000 -0.0002 -0.0002
 
spin component  4
 
  0.6063 -0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5625  0.0000 -0.0004  0.0000     -0.0000  0.0000  0.0000 -0.0464  0.0021
 -0.0001  0.0000  0.6086  0.0001  0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5621 -0.0003     -0.0000  0.0464 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000 -0.0003  0.5706      0.0198 -0.0021  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4694  v =  0.0020 -0.5904  0.0003 -0.0518 -0.0100  0.0098 -0.1235 -0.0002 -0.0112  0.0438      0.0000 -0.0502 -0.0021  0.5854 -0.1276  0.0009  0.0085 -0.0004 -0.1034 -0.5090
  o =  0.4729  v = -0.0037 -0.1144  0.0000 -0.0235 -0.0115  0.0036  0.5550 -0.0000 -0.0112  0.0196      0.0000 -0.0238 -0.0006  0.1363  0.5793  0.0005  0.0114  0.0024  0.5598 -0.0970
  o =  0.5680  v = -0.1387 -0.6090  0.0031 -0.0160  0.0003  0.0259 -0.0861 -0.0124 -0.0050 -0.0028      0.0000  0.0147 -0.0037 -0.5751  0.1854 -0.0002 -0.0043 -0.4772 -0.0836  0.0367
  o =  0.5760  v =  0.5828 -0.0713 -0.0131  0.0021 -0.0002 -0.1624  0.3274 -0.0042  0.0144  0.0126      0.0000  0.0089  0.0215 -0.2322 -0.5737 -0.0125  0.0146 -0.1535  0.2856 -0.1789
  o =  0.5826  v =  0.1731 -0.1905  0.0600 -0.0263  0.0015  0.5213 -0.2572  0.0024 -0.0441 -0.0623      0.0000 -0.0248 -0.4296  0.1703 -0.1305  0.0727 -0.0442 -0.0165  0.3843  0.4465
  o =  0.5854  v =  0.1142 -0.1553  0.0296  0.0075 -0.0024  0.4657  0.4082 -0.0009 -0.0186  0.0218      0.0000  0.0120  0.5659  0.1437 -0.0740 -0.0294 -0.0194 -0.0039 -0.3375  0.3405
  o =  0.6216  v =  0.2912 -0.3391 -0.0084 -0.0024 -0.0000 -0.0640 -0.0879  0.0077 -0.0029  0.0005      0.0000  0.0031  0.0054 -0.3080  0.1662 -0.0038 -0.0025  0.8118 -0.0745  0.0331
  o =  0.6247  v = -0.6930 -0.0842  0.0203  0.0023 -0.0001  0.2082  0.2486  0.0020  0.0088  0.0083      0.0000  0.0054 -0.0254 -0.2063 -0.4541  0.0119  0.0089  0.2980  0.2266 -0.1310
  o =  0.6304  v =  0.1455  0.1824  0.0589  0.0228  0.0010  0.4677  0.2824 -0.0012  0.0391  0.0546      0.0000  0.0245 -0.5103 -0.1618  0.1274  0.0637  0.0414 -0.0125 -0.4077 -0.4037
  o =  0.6339  v =  0.1092  0.2045  0.0206 -0.0069 -0.0007  0.4552 -0.4187 -0.0029  0.0172 -0.0164      0.0000 -0.0085  0.4738 -0.1898  0.1087 -0.0170  0.0151 -0.0138  0.3132 -0.4376
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5581  0.0000 -0.0003  0.0000     -0.0000 -0.0000 -0.0000  0.0442 -0.0002
 -0.0001  0.0000  0.6081  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5580 -0.0001      0.0000 -0.0442  0.0000 -0.0000 -0.0002
 -0.0000  0.0000  0.0000 -0.0001  0.5661     -0.0198  0.0002 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0097  0.0005 -0.0000  0.0001  0.0001     -0.0000 -0.0003 -0.0166 -0.0000 -0.0436
  0.0000  0.0000  0.0000 -0.0168  0.0000      0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0166  0.0005 -0.0437      0.0097  0.0000  0.0000 -0.0004  0.0001
 -0.0000 -0.0001  0.0000  0.0428  0.0004     -0.0000  0.0430  0.0000 -0.0001 -0.0005
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097  0.0000
  0.0098  0.0005  0.0000  0.0001 -0.0001     -0.0000  0.0003 -0.0168 -0.0000 -0.0430
  0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0168  0.0005  0.0428      0.0098  0.0000  0.0000  0.0004  0.0001
 -0.0000  0.0001  0.0000 -0.0437  0.0004      0.0000  0.0436 -0.0000 -0.0001  0.0005
 
spin component  4
 
  0.6053  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0197
  0.0000  0.5488 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0408 -0.0002
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5489  0.0001      0.0000  0.0408  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0001  0.5568      0.0197  0.0002  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v = -0.0075  0.0297  0.0002  0.0361  0.0044  0.0002 -0.5955  0.0002  0.0040 -0.0361      0.0000  0.0336  0.0000 -0.0262 -0.5334  0.0002 -0.0056  0.0004 -0.5955  0.0292
  o =  0.4710  v =  0.0008  0.4015  0.0005  0.4133  0.0036  0.0004  0.0469 -0.0000  0.0018 -0.4130      0.0000  0.4128 -0.0001 -0.4004  0.0404  0.0005 -0.0061  0.0001  0.0476  0.4007
  o =  0.5736  v = -0.0060  0.0237  0.4645  0.0087  0.0019 -0.0402 -0.3314  0.0005 -0.4827  0.0165      0.0000  0.0061 -0.3154 -0.0165  0.0099 -0.0146 -0.4817  0.0031  0.3236 -0.0447
  o =  0.5782  v =  0.0623 -0.1643  0.0443 -0.2933 -0.0001  0.3189  0.0316 -0.0310 -0.0396 -0.5289      0.0000 -0.2366  0.0046  0.1291 -0.0603  0.5762 -0.0389 -0.0173  0.0234  0.2926
  o =  0.5809  v = -0.2912  0.3867 -0.0027  0.2442  0.0001  0.0179 -0.1062  0.3396  0.0003 -0.0501      0.0000 -0.2946  0.0060  0.4001  0.2564  0.0636  0.0005  0.4963 -0.1159  0.0131
  o =  0.5816  v =  0.6370  0.1930  0.0042  0.1403  0.0003 -0.0286  0.2382  0.1631 -0.0012  0.0299      0.0000 -0.1121 -0.0018  0.1711 -0.5429 -0.0357 -0.0011  0.2355  0.2414 -0.0239
  o =  0.6240  v = -0.0128 -0.0187  0.7881 -0.0112  0.0007 -0.0520  0.1176 -0.0007  0.3791 -0.0260      0.0000 -0.0134 -0.2390  0.0133 -0.0059 -0.0398  0.3798  0.0064 -0.1127  0.0340
  o =  0.6266  v =  0.0683  0.1462  0.0656  0.2573  0.0003  0.3601 -0.0266 -0.0419  0.0366  0.4697      0.0000  0.2118  0.0069 -0.1148  0.0489  0.6466  0.0364 -0.0304 -0.0193 -0.2613
  o =  0.6288  v = -0.1906 -0.3654  0.0006 -0.2332  0.0001  0.0152  0.0641  0.4074 -0.0007  0.0481      0.0000  0.2817  0.0078 -0.3792 -0.1540  0.0578 -0.0008  0.5894  0.0735 -0.0134
  o =  0.6298  v = -0.6814  0.1174 -0.0033  0.0912  0.0002  0.0279  0.2578 -0.1137 -0.0039  0.0349      0.0000 -0.0577  0.0020  0.0951 -0.5687  0.0416 -0.0038 -0.1616  0.2608 -0.0237
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059 -0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5596 -0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0000  0.0451 -0.0003
 -0.0001 -0.0000  0.6081  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5596 -0.0001      0.0000 -0.0451  0.0000  0.0000 -0.0004
  0.0000  0.0002 -0.0000 -0.0001  0.5677     -0.0198  0.0003 -0.0000  0.0004 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008 -0.0000 -0.0000  0.0001     -0.0000 -0.0006 -0.0165 -0.0000 -0.0436
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165  0.0005 -0.0435      0.0097  0.0000  0.0000 -0.0008  0.0001
 -0.0000 -0.0001  0.0000  0.0424  0.0007     -0.0000  0.0422  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000 -0.0000 -0.0001     -0.0000  0.0006 -0.0168 -0.0000 -0.0422
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0168  0.0005  0.0424      0.0097  0.0000  0.0000  0.0008  0.0001
 -0.0000  0.0001  0.0000 -0.0435  0.0007      0.0000  0.0436 -0.0000 -0.0001  0.0006
 
spin component  4
 
  0.6052  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5476  0.0000 -0.0002 -0.0002     -0.0000  0.0000 -0.0000 -0.0398 -0.0003
 -0.0001  0.0000  0.6075 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0000  0.5473  0.0001      0.0000  0.0398  0.0000 -0.0000 -0.0003
 -0.0000 -0.0002  0.0000  0.0001  0.5552      0.0196  0.0003  0.0000  0.0003  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v = -0.0088  0.0327  0.0001  0.0287 -0.0029  0.0003 -0.5982  0.0006 -0.0041 -0.0287      0.0000  0.0241  0.0001 -0.0287 -0.5273  0.0004  0.0023  0.0004 -0.5990  0.0327
  o =  0.4718  v =  0.0011  0.3984  0.0008  0.4129 -0.0032  0.0012  0.0441  0.0002 -0.0067 -0.4176      0.0000  0.4116  0.0000 -0.3984  0.0358  0.0012  0.0004 -0.0000  0.0438  0.4037
  o =  0.5721  v = -0.0093  0.0046  0.4510  0.0305 -0.0013 -0.0178  0.3193 -0.0019 -0.4920  0.0704      0.0000  0.0340  0.2972 -0.0150  0.0139 -0.0597 -0.4933 -0.0056 -0.3302 -0.0209
  o =  0.5775  v =  0.0576 -0.2676  0.0656 -0.1883 -0.0000  0.5256  0.0226 -0.0070 -0.0598 -0.3532      0.0000 -0.1716 -0.0047  0.2371 -0.0588  0.3747 -0.0608 -0.0155  0.0312  0.4957
  o =  0.5817  v = -0.5510  0.1766 -0.0002  0.2399  0.0002  0.0557 -0.2080  0.3288 -0.0025 -0.0253      0.0000 -0.2646 -0.0056  0.2181  0.4758  0.0341 -0.0028  0.2570 -0.1989  0.0423
  o =  0.5826  v =  0.4420  0.2550  0.0100  0.3242 -0.0001 -0.0160  0.1617  0.4277 -0.0065  0.0180      0.0000 -0.3089  0.0031  0.2422 -0.3640 -0.0212 -0.0067  0.3357  0.1568 -0.0143
  o =  0.6232  v = -0.0170 -0.0103  0.7724 -0.0273 -0.0011 -0.0530 -0.1371 -0.0047  0.3535 -0.0626      0.0000 -0.0331  0.3067  0.0221 -0.0076 -0.0994  0.3527 -0.0091  0.1435  0.0333
  o =  0.6258  v =  0.0721  0.2242  0.1134  0.1657 -0.0003  0.5970 -0.0200 -0.0161  0.0602  0.3134      0.0000  0.1511 -0.0063 -0.1984  0.0495  0.4478  0.0605 -0.0258 -0.0264 -0.4183
  o =  0.6296  v = -0.4486 -0.2068  0.0103 -0.2797 -0.0002  0.0507  0.1700  0.4463  0.0043  0.0260      0.0000  0.3056 -0.0057 -0.2500 -0.3741  0.0297  0.0045  0.3481  0.1628 -0.0436
  o =  0.6306  v =  0.5393 -0.2025  0.0101 -0.2560  0.0001 -0.0258 -0.2121  0.3593  0.0073 -0.0236      0.0000  0.2344  0.0031 -0.1818  0.4643 -0.0272  0.0075  0.2817 -0.2072  0.0221
     EDDAV:  cpu time   71.3493: real time   72.0819
       DOS:  cpu time    0.0492: real time    0.0494
    CHARGE:  cpu time    1.1753: real time    1.1862
    MIXING:  cpu time    0.0381: real time    0.0383
    --------------------------------------------
      LOOP:  cpu time   73.5250: real time   74.2764

 eigenvalue-minimisations  : 12632
 total energy-change (2. order) : 0.9610945E-02  (-0.1998128E-02)
 number of electron    1039.9999692 magnetization       0.0444022     -0.0010635     -0.0584670
 augmentation part       28.5310618 magnetization       0.0040416     -0.0003230     -0.0072739

 Broyden mixing:
  rms(total) = 0.22833E+00    rms(broyden)= 0.22833E+00
  rms(prec ) = 0.24069E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6387
  2.4697  2.4697  1.0343  1.0343  0.5767  0.5767  0.3945  0.3945  0.4808  0.4503
  0.1921  0.1649  0.1555  0.0951  0.1186  0.1251  0.1251

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.47223123
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.54517606
  PAW double counting   =     84302.83368449   -83123.90751176
  entropy T*S    EENTRO =        -0.15537783
  eigenvalues    EBANDS =     -6098.61107156
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.23999058 eV

  energy without entropy =    -1066.08461274  energy(sigma->0) =    -1066.18819797


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time    0.4710: real time    0.4760
    SETDIJ:  cpu time    0.4434: real time    0.4458
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0001 -0.0000  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0001  0.5444 -0.0001  0.0001 -0.0001      0.0000 -0.0000 -0.0000  0.0376 -0.0013
 -0.0000 -0.0001  0.6079  0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5448  0.0000      0.0000 -0.0376 -0.0000 -0.0000  0.0014
  0.0000 -0.0001  0.0000  0.0000  0.5526     -0.0195  0.0013 -0.0000 -0.0014  0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0023 -0.0000 -0.0003  0.0001     -0.0000  0.0021 -0.0169 -0.0003 -0.0418
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0000
 -0.0000 -0.0004  0.0169  0.0017 -0.0413      0.0097 -0.0002  0.0000  0.0025  0.0001
  0.0001  0.0001  0.0000  0.0438  0.0027     -0.0001  0.0434 -0.0001  0.0001  0.0030
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0023 -0.0000 -0.0004  0.0001     -0.0000 -0.0021 -0.0164  0.0002 -0.0434
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0017  0.0438      0.0097  0.0003  0.0000 -0.0025 -0.0001
  0.0001  0.0001  0.0000 -0.0413  0.0027      0.0001  0.0418  0.0000 -0.0001 -0.0030
 
spin component  4
 
  0.6065  0.0001 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0199
  0.0001  0.5620  0.0001 -0.0001  0.0001      0.0000  0.0000 -0.0000 -0.0466 -0.0014
 -0.0000  0.0001  0.6087 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5616  0.0000      0.0000  0.0466 -0.0000 -0.0000  0.0015
 -0.0000  0.0001  0.0000  0.0000  0.5698      0.0199  0.0014  0.0000 -0.0015 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v = -0.0016 -0.3781  0.0020  0.4600 -0.0029  0.0063  0.0946  0.0004 -0.0122 -0.3974      0.0000  0.4577 -0.0004  0.3758  0.1077 -0.0076 -0.0067 -0.0001  0.0973 -0.3264
  o =  0.4723  v =  0.0031 -0.0601  0.0004  0.0765  0.0062  0.0020 -0.5627 -0.0017  0.0041 -0.0650      0.0000  0.0922  0.0000  0.0739 -0.5807 -0.0024 -0.0081  0.0015 -0.5618 -0.0513
  o =  0.5682  v =  0.1320 -0.4140 -0.0013  0.4471  0.0000  0.0225  0.0810  0.3552 -0.0016  0.0170      0.0000 -0.4302  0.0007 -0.3862 -0.1760 -0.0127 -0.0010 -0.3244  0.0788  0.0306
  o =  0.5759  v = -0.5780 -0.0424 -0.0288  0.0386  0.0003 -0.1139 -0.2875  0.1052  0.0260 -0.1463      0.0000 -0.1686  0.0175 -0.1554  0.5763  0.1318  0.0263 -0.0996 -0.3224 -0.1267
  o =  0.5824  v = -0.1909 -0.1225  0.4021  0.1667 -0.0002  0.3342 -0.1108  0.0207 -0.3031  0.3655      0.0000  0.1311 -0.0514  0.1122  0.1468 -0.4227 -0.3037 -0.0049 -0.0330  0.2886
  o =  0.5851  v = -0.1073 -0.1100 -0.5817  0.0937  0.0000  0.3350 -0.0604  0.0072  0.3894  0.2073      0.0000  0.0887 -0.0388  0.1109  0.0713 -0.2776  0.3904 -0.0038 -0.0079  0.2500
  o =  0.6219  v =  0.2804  0.2282  0.0013 -0.2545 -0.0000  0.0468 -0.0769  0.6105 -0.0037 -0.0188      0.0000  0.2359 -0.0009  0.2050  0.1601 -0.0369 -0.0037 -0.5401 -0.0788 -0.0247
  o =  0.6248  v = -0.6954  0.0505 -0.0362 -0.0538 -0.0002 -0.1474  0.2215  0.2121 -0.0204  0.1052      0.0000  0.1507  0.0264  0.1356 -0.4526  0.1679 -0.0205 -0.1913  0.2492  0.0921
  o =  0.6305  v =  0.1652 -0.1155 -0.4864  0.1600  0.0002 -0.2984 -0.1181 -0.0278 -0.3258  0.3334      0.0000  0.1261  0.0714  0.1023  0.1423  0.3911 -0.3258  0.0137 -0.0220  0.2543
  o =  0.6336  v = -0.1052  0.1454 -0.5003 -0.1260  0.0006  0.3364  0.0711  0.0042 -0.3783 -0.2671      0.0000 -0.1150 -0.0274 -0.1406 -0.1029 -0.2839 -0.3784 -0.0012  0.0290 -0.3161
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6052  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5468  0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0000  0.0394  0.0016
 -0.0000  0.0000  0.6075 -0.0001  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5467  0.0003     -0.0000 -0.0394 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0003  0.5545     -0.0196 -0.0016 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0031  0.0000  0.0001 -0.0000     -0.0000  0.0000 -0.0169  0.0004 -0.0424
 -0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169 -0.0026 -0.0426      0.0097  0.0003  0.0000  0.0000 -0.0000
 -0.0000 -0.0000 -0.0000  0.0439 -0.0036      0.0001  0.0440  0.0000 -0.0000 -0.0001
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0031  0.0000  0.0001 -0.0000     -0.0000 -0.0000 -0.0165 -0.0003 -0.0440
 -0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0165 -0.0026  0.0439      0.0097 -0.0004  0.0000 -0.0000  0.0000
 -0.0000 -0.0000 -0.0000 -0.0426 -0.0036     -0.0001  0.0424 -0.0000  0.0000  0.0001
 
spin component  4
 
  0.6060 -0.0001 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0199
 -0.0001  0.5599 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0000 -0.0459  0.0017
 -0.0000 -0.0000  0.6081  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0000  0.5599 -0.0003     -0.0000  0.0459 -0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0000 -0.0003  0.5676      0.0199 -0.0017  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v =  0.0015 -0.5840  0.0001 -0.0173  0.0081  0.0080 -0.1407  0.0000  0.0074  0.0154      0.0000 -0.0173 -0.0018  0.5800 -0.1426  0.0002 -0.0078 -0.0005 -0.1234 -0.5159
  o =  0.4709  v = -0.0015 -0.1344 -0.0001  0.0099  0.0223  0.0034  0.5557  0.0001  0.0224 -0.0079      0.0000  0.0095 -0.0006  0.1533  0.5652 -0.0002 -0.0218  0.0020  0.5610 -0.1173
  o =  0.5708  v = -0.1555 -0.5903 -0.0019 -0.0134 -0.0001  0.0235 -0.0901 -0.0117  0.0025 -0.0004      0.0000  0.0133 -0.0056 -0.5609  0.1904 -0.0001  0.0017 -0.5094 -0.0833  0.0298
  o =  0.5769  v =  0.5779 -0.0536  0.0067 -0.0106  0.0000 -0.2124  0.3399 -0.0045 -0.0053 -0.0149      0.0000 -0.0022  0.0578 -0.2530 -0.5520  0.0144 -0.0058 -0.1634  0.2329 -0.2211
  o =  0.5815  v =  0.2211 -0.1966 -0.0164  0.0139  0.0010  0.4663 -0.2662 -0.0001  0.0125  0.0334      0.0000  0.0148 -0.4567  0.1425 -0.1766 -0.0382  0.0138 -0.0366  0.4384  0.4087
  o =  0.5839  v =  0.1263 -0.1812 -0.0061  0.0056 -0.0007  0.4897  0.4049  0.0026  0.0047  0.0103      0.0000  0.0032  0.5198  0.1555 -0.0892 -0.0135  0.0043 -0.0134 -0.3202  0.3769
  o =  0.6226  v =  0.2788 -0.3646  0.0042 -0.0075 -0.0001 -0.0586 -0.0915  0.0184  0.0026  0.0011      0.0000  0.0087  0.0133 -0.3331  0.1693  0.0007  0.0021  0.7944 -0.0712  0.0325
  o =  0.6256  v = -0.6653 -0.0663 -0.0033 -0.0081  0.0002  0.2567  0.2726  0.0068 -0.0022 -0.0093      0.0000 -0.0004 -0.0736 -0.2266 -0.4566 -0.0142 -0.0022  0.2813  0.1954 -0.1726
  o =  0.6295  v =  0.1997  0.1760 -0.0149 -0.0091  0.0001  0.4223  0.2788 -0.0023 -0.0099 -0.0233      0.0000 -0.0117 -0.5528 -0.1298  0.1667 -0.0280 -0.0097 -0.0317 -0.4425 -0.3522
  o =  0.6323  v =  0.1295  0.2209 -0.0007 -0.0089 -0.0001  0.4962 -0.3895  0.0027 -0.0004 -0.0156      0.0000 -0.0050  0.4540 -0.1915  0.1214 -0.0174 -0.0007 -0.0233  0.2723 -0.4512
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5595 -0.0000  0.0000  0.0002     -0.0000 -0.0000 -0.0000  0.0448 -0.0003
 -0.0000 -0.0000  0.6083  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5596 -0.0001      0.0000 -0.0448  0.0000 -0.0000 -0.0002
  0.0000  0.0002  0.0000 -0.0001  0.5674     -0.0198  0.0003 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0007 -0.0000 -0.0000  0.0000     -0.0000 -0.0004 -0.0165 -0.0000 -0.0429
  0.0000 -0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
 -0.0000 -0.0000  0.0165  0.0006 -0.0429      0.0097 -0.0000  0.0000 -0.0004  0.0000
 -0.0000  0.0000  0.0000  0.0416  0.0007     -0.0000  0.0415  0.0000  0.0001 -0.0002
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0007 -0.0000 -0.0000  0.0000     -0.0000  0.0004 -0.0168  0.0000 -0.0415
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0006  0.0416      0.0097  0.0000  0.0000  0.0004 -0.0001
 -0.0000  0.0000  0.0000 -0.0429  0.0007      0.0000  0.0429 -0.0000 -0.0000  0.0002
 
spin component  4
 
  0.6053  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5466  0.0000 -0.0001 -0.0001     -0.0000 -0.0000 -0.0000 -0.0385 -0.0003
 -0.0000  0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5464  0.0001      0.0000  0.0385  0.0000  0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5547      0.0195  0.0003  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4701  v = -0.0090  0.0274  0.0000  0.0099 -0.0032  0.0003 -0.5993  0.0003 -0.0039 -0.0098      0.0000  0.0077  0.0002 -0.0230 -0.5274  0.0002  0.0032  0.0005 -0.6003  0.0273
  o =  0.4726  v =  0.0008  0.5071  0.0005  0.2691 -0.0036  0.0015  0.0274  0.0000 -0.0062 -0.2724      0.0000  0.2688 -0.0004 -0.5075  0.0232  0.0007  0.0019 -0.0001  0.0306  0.5140
  o =  0.5706  v = -0.0023  0.0057  0.5104  0.0205  0.0004 -0.0147  0.1346 -0.0025 -0.5836  0.0509      0.0000  0.0252  0.1186 -0.0116  0.0035 -0.0411 -0.5847 -0.0029 -0.1370 -0.0184
  o =  0.5768  v =  0.0430 -0.3146  0.0335 -0.0670 -0.0002  0.6217 -0.0097  0.0057 -0.0314 -0.1411      0.0000 -0.0768 -0.0320  0.2983 -0.0452  0.1458 -0.0324 -0.0084  0.0509  0.6025
  o =  0.5814  v = -0.6153  0.1818  0.0008  0.1419  0.0001  0.0457 -0.2329  0.1846 -0.0014 -0.0043      0.0000 -0.1453 -0.0027  0.2168  0.5388  0.0062 -0.0018  0.2559 -0.2291  0.0365
  o =  0.5823  v = -0.3340 -0.3755 -0.0034 -0.2706  0.0002  0.0166 -0.1241 -0.3529  0.0025 -0.0119      0.0000  0.2596 -0.0015 -0.3630  0.2795  0.0144  0.0032 -0.4915 -0.1208  0.0132
  o =  0.6227  v =  0.0047  0.0120 -0.8455  0.0163  0.0002  0.0503 -0.0143  0.0061 -0.3688  0.0422      0.0000  0.0240  0.0310 -0.0178  0.0020  0.0694 -0.3693  0.0049  0.0126 -0.0307
  o =  0.6253  v = -0.0526 -0.2584 -0.0665 -0.0710  0.0001 -0.7294 -0.0119 -0.0047 -0.0340 -0.1461      0.0000 -0.0766  0.0552  0.2440 -0.0344 -0.2144 -0.0341  0.0134  0.0443  0.4975
  o =  0.6295  v = -0.5393 -0.2351  0.0056 -0.1857 -0.0001  0.0398  0.1995  0.2894  0.0026  0.0038      0.0000  0.1892 -0.0021 -0.2677 -0.4435  0.0042  0.0029  0.3878  0.1964 -0.0336
  o =  0.6302  v =  0.4630 -0.3036  0.0056 -0.2250  0.0001 -0.0221 -0.1780  0.3267  0.0028 -0.0132      0.0000  0.2125  0.0025 -0.2851  0.3910 -0.0153  0.0034  0.4395 -0.1751  0.0194
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064 -0.0000 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0000  0.5627  0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0000  0.0468 -0.0005
 -0.0000  0.0000  0.6087  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5626 -0.0000      0.0000 -0.0468  0.0000 -0.0000 -0.0006
 -0.0000  0.0000 -0.0000 -0.0000  0.5706     -0.0199  0.0005 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008  0.0000  0.0002 -0.0001     -0.0000 -0.0009 -0.0164 -0.0000 -0.0434
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0164  0.0005 -0.0433      0.0097 -0.0000  0.0000 -0.0012 -0.0001
 -0.0000 -0.0000  0.0000  0.0412  0.0008     -0.0000  0.0413  0.0000 -0.0001 -0.0013
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0001 -0.0000     -0.0000  0.0009 -0.0169  0.0000 -0.0413
  0.0000  0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0169  0.0005  0.0412      0.0097  0.0000  0.0000  0.0012  0.0001
 -0.0000 -0.0001  0.0000 -0.0433  0.0008      0.0000  0.0434 -0.0000  0.0001  0.0013
 
spin component  4
 
  0.6053  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5435 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0368 -0.0004
 -0.0000 -0.0000  0.6078 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5436  0.0000      0.0000  0.0368  0.0000 -0.0000 -0.0006
  0.0000 -0.0000  0.0000  0.0000  0.5519      0.0195  0.0004  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4695  v =  0.0109 -0.0193 -0.0001 -0.0418 -0.0029 -0.0003  0.6036 -0.0008 -0.0028  0.0430      0.0000 -0.0347  0.0001  0.0154  0.5157 -0.0006  0.0036 -0.0004  0.6032 -0.0197
  o =  0.4729  v = -0.0014 -0.2687 -0.0008 -0.4993 -0.0025 -0.0018 -0.0496  0.0001  0.0009  0.5216      0.0000 -0.4998 -0.0005  0.2687 -0.0362 -0.0035  0.0065  0.0000 -0.0446 -0.2804
  o =  0.5673  v =  0.0020  0.0246  0.1197 -0.0207  0.0010 -0.0353 -0.5942 -0.0018 -0.1520 -0.0449      0.0000 -0.0188 -0.4708 -0.0188 -0.0022  0.0330 -0.1507  0.0026  0.5972 -0.0482
  o =  0.5757  v = -0.0690  0.1758 -0.0476  0.2853 -0.0002 -0.3291 -0.0564  0.0090  0.0472  0.5238      0.0000  0.2667 -0.0226 -0.1699  0.0769 -0.5255  0.0473  0.0027 -0.0117 -0.3278
  o =  0.5829  v = -0.6806  0.0654  0.0063  0.0969 -0.0002  0.0439 -0.2363  0.1672 -0.0060 -0.0534      0.0000 -0.1492  0.0013  0.0971  0.5726  0.0720 -0.0058  0.1105 -0.2377  0.0322
  o =  0.5848  v = -0.2156 -0.2610 -0.0010 -0.3941 -0.0001  0.0101 -0.0727 -0.5770  0.0024 -0.0071      0.0000  0.3878 -0.0027 -0.2543  0.1639  0.0102  0.0017 -0.3804 -0.0705  0.0073
  o =  0.6216  v = -0.0060 -0.0007  0.5738 -0.0299 -0.0004 -0.0161 -0.2541 -0.0027  0.2267 -0.0629      0.0000 -0.0313  0.6474  0.0078 -0.0025 -0.1103  0.2263 -0.0039  0.2568  0.0091
  o =  0.6245  v =  0.0890  0.1418  0.1025  0.2236 -0.0002  0.4156 -0.0469 -0.0135  0.0488  0.4188      0.0000  0.2100  0.0458 -0.1378  0.0548  0.6443  0.0488 -0.0043 -0.0037 -0.2700
  o =  0.6311  v = -0.6394 -0.0908  0.0094 -0.1318  0.0001  0.0379  0.2415  0.2298  0.0053  0.0555      0.0000  0.1866  0.0015 -0.1246 -0.5575  0.0616  0.0052  0.1556  0.2438 -0.0341
  o =  0.6329  v = -0.2620  0.2693 -0.0034  0.3967  0.0001  0.0129  0.1098 -0.5274 -0.0017  0.0135      0.0000 -0.3841 -0.0017  0.2578 -0.2416  0.0141 -0.0011 -0.3561  0.1065 -0.0120
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6072  0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5575  0.0000 -0.0001 -0.0002      0.0000 -0.0000  0.0001  0.0431  0.0018
 -0.0001  0.0000  0.6094 -0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5575  0.0005     -0.0000 -0.0431 -0.0000  0.0000  0.0002
 -0.0000 -0.0002  0.0000  0.0005  0.5661     -0.0196 -0.0018 -0.0000 -0.0002 -0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0036 -0.0000  0.0000  0.0002     -0.0000  0.0003 -0.0163  0.0003 -0.0416
 -0.0000  0.0000 -0.0002 -0.0166 -0.0001      0.0000  0.0166  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0030 -0.0417      0.0096  0.0004  0.0000  0.0004  0.0002
  0.0000 -0.0000 -0.0001  0.0403 -0.0037      0.0001  0.0405 -0.0000 -0.0000  0.0001
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0036  0.0000  0.0001 -0.0000     -0.0000 -0.0003 -0.0166 -0.0004 -0.0405
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000 -0.0000  0.0000
 -0.0000  0.0000 -0.0166 -0.0030  0.0403      0.0096 -0.0003  0.0000 -0.0004  0.0000
 -0.0000  0.0002 -0.0001 -0.0417 -0.0037     -0.0001  0.0416  0.0000 -0.0002 -0.0001
 
spin component  4
 
  0.6065 -0.0001 -0.0001 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5463 -0.0000 -0.0002  0.0002      0.0000 -0.0000  0.0001 -0.0377  0.0016
 -0.0001 -0.0000  0.6089  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5462 -0.0005     -0.0000  0.0377 -0.0000 -0.0000  0.0001
  0.0000  0.0002 -0.0000 -0.0005  0.5554      0.0194 -0.0016  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4715  v = -0.0082 -0.1657  0.0001 -0.0152  0.0027 -0.0015 -0.5789 -0.0003  0.0021  0.0151      0.0000 -0.0132 -0.0005  0.1439 -0.5098 -0.0002 -0.0037 -0.0025 -0.5736 -0.1642
  o =  0.4744  v =  0.0039 -0.5522  0.0004 -0.0432  0.0014  0.0002  0.1568  0.0000 -0.0003  0.0428      0.0000 -0.0431 -0.0026  0.5583  0.1376  0.0000 -0.0033  0.0006  0.1796 -0.5496
  o =  0.5697  v = -0.0320 -0.0962  0.1400 -0.0139  0.0017  0.1543 -0.5797  0.0026 -0.1712 -0.0369      0.0000 -0.0174 -0.4573  0.0854  0.0440  0.0274 -0.1707 -0.0065  0.5366  0.2072
  o =  0.5765  v =  0.2499  0.3686  0.0239  0.0176  0.0005 -0.5236 -0.0410  0.0156 -0.0229  0.0014      0.0000 -0.0156 -0.1639 -0.1837 -0.2785 -0.0010 -0.0233  0.0926  0.2889 -0.5415
  o =  0.5797  v = -0.3275 -0.3171  0.0040 -0.0457  0.0002 -0.2458 -0.1698 -0.0559 -0.0047  0.0057      0.0000  0.0515 -0.0469 -0.5370  0.3292 -0.0082 -0.0052 -0.4864 -0.0920 -0.2257
  o =  0.5829  v =  0.5335 -0.3789  0.0060 -0.0381  0.0001  0.1755  0.2210 -0.0491 -0.0037 -0.0002      0.0000  0.0392  0.0206 -0.2477 -0.4572 -0.0016 -0.0038 -0.4027  0.1840  0.1410
  o =  0.6226  v = -0.0830  0.1011  0.1759  0.0041  0.0018  0.3228  0.3339  0.0059  0.0702  0.0186      0.0000  0.0131 -0.7729 -0.0731 -0.0434  0.0328  0.0720 -0.0233 -0.2922 -0.1841
  o =  0.6253  v =  0.3128 -0.2637  0.0418 -0.0125  0.0004 -0.6410  0.0656  0.0259  0.0205 -0.0003      0.0000  0.0118 -0.3271  0.1537  0.1979 -0.0010  0.0212  0.1134 -0.2482  0.4118
  o =  0.6277  v = -0.3755  0.2570  0.0140  0.0345  0.0000 -0.2539  0.1503 -0.0667  0.0061 -0.0075      0.0000 -0.0421 -0.0503  0.4413 -0.2807 -0.0085  0.0065 -0.6153  0.0889  0.1884
  o =  0.6307  v =  0.5466  0.3500  0.0062  0.0324 -0.0000  0.1713 -0.2260 -0.0524  0.0044 -0.0015      0.0000 -0.0349  0.0352  0.2113  0.4521 -0.0015  0.0045 -0.4323 -0.1865 -0.1459
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0001 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0001  0.5513 -0.0000 -0.0001 -0.0000      0.0000 -0.0000  0.0001  0.0399  0.0022
 -0.0001 -0.0000  0.6092 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5513  0.0006     -0.0000 -0.0399 -0.0000  0.0000  0.0007
  0.0000 -0.0000 -0.0000  0.0006  0.5604     -0.0195 -0.0022 -0.0000 -0.0007  0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0050 -0.0000 -0.0002  0.0001     -0.0000  0.0012 -0.0165  0.0004 -0.0410
 -0.0000  0.0000 -0.0003 -0.0164 -0.0001      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0165 -0.0040 -0.0408      0.0096  0.0003  0.0000  0.0015  0.0001
  0.0000 -0.0001 -0.0001  0.0411 -0.0051      0.0001  0.0411 -0.0000 -0.0000  0.0018
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0050  0.0000 -0.0003 -0.0001     -0.0000 -0.0012 -0.0164 -0.0003 -0.0411
 -0.0000 -0.0000 -0.0003  0.0165 -0.0001     -0.0000  0.0165 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0164 -0.0040  0.0411      0.0096 -0.0004  0.0000 -0.0015  0.0000
  0.0000  0.0001 -0.0001 -0.0408 -0.0051     -0.0001  0.0410  0.0000 -0.0001 -0.0018
 
spin component  4
 
  0.6069 -0.0001 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0195
 -0.0001  0.5524  0.0000 -0.0002  0.0000      0.0000  0.0000  0.0001 -0.0407  0.0022
 -0.0001  0.0000  0.6092  0.0001  0.0000     -0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5524 -0.0005     -0.0000  0.0407 -0.0000 -0.0000  0.0007
 -0.0000  0.0000  0.0000 -0.0005  0.5611      0.0195 -0.0022  0.0000 -0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4719  v = -0.0013 -0.4149  0.0018 -0.1554  0.0150  0.0020 -0.4045 -0.0007  0.0073  0.1449      0.0000 -0.1488 -0.0024  0.3931 -0.3810  0.0008 -0.0229 -0.0024 -0.3843 -0.3857
  o =  0.4742  v =  0.0049 -0.3710  0.0016 -0.1194  0.0045  0.0046  0.4280  0.0008 -0.0022  0.1115      0.0000 -0.1266 -0.0022  0.3959  0.3992  0.0014 -0.0112  0.0029  0.4473 -0.3465
  o =  0.5730  v =  0.2950  0.5008 -0.1160  0.1506 -0.0005 -0.2170  0.3255  0.0921  0.1308  0.1037      0.0000 -0.0572  0.1516  0.2565 -0.3634 -0.0835  0.1302  0.3432 -0.0047 -0.2660
  o =  0.5752  v = -0.0478 -0.1780 -0.1771 -0.1520  0.0003 -0.2356  0.3615 -0.1624  0.1838  0.0325      0.0000  0.1780  0.3617 -0.4022  0.0606 -0.0283  0.1780 -0.2777 -0.3894 -0.2740
  o =  0.5785  v = -0.3718  0.1007 -0.1959  0.0411 -0.0011  0.2660  0.0548  0.0831  0.1819 -0.0696      0.0000 -0.1159  0.2572  0.3691  0.3640  0.0730  0.1814  0.2549 -0.4172  0.2595
  o =  0.5824  v =  0.4383 -0.2892 -0.1021 -0.0889 -0.0007  0.4636  0.2987 -0.0339  0.0830 -0.1341      0.0000 -0.0341  0.1590  0.0730 -0.3712  0.1572  0.0822 -0.1328  0.0409  0.3942
  o =  0.6236  v = -0.4528  0.3139  0.1564  0.0756  0.0008  0.3638  0.2468 -0.1056  0.0664  0.0665      0.0000 -0.0125 -0.2693  0.1139 -0.2672  0.1162  0.0663 -0.4827  0.0018 -0.2122
  o =  0.6250  v =  0.1093 -0.0769  0.0502 -0.2148  0.0056  0.2909  0.2329  0.3785  0.0294 -0.0679      0.0000  0.1528 -0.5503 -0.2452  0.0768 -0.1071  0.0266  0.3443 -0.2931 -0.1923
  o =  0.6269  v =  0.4141  0.0866  0.2775  0.0578 -0.0002 -0.2962  0.0531 -0.1496  0.1470 -0.0358      0.0000 -0.0974 -0.3597  0.2911  0.2851 -0.0543  0.1482 -0.3488 -0.3368  0.1996
  o =  0.6303  v = -0.4381 -0.2829  0.1186 -0.0838  0.0003 -0.4658  0.2912  0.0375  0.0742 -0.1276      0.0000 -0.0356 -0.1956  0.0760 -0.3613 -0.1559  0.0747  0.1674  0.0471  0.3823
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6040 -0.0003 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0001  0.0199
 -0.0003  0.5502  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001  0.0409 -0.0046
 -0.0001  0.0000  0.6075  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5504 -0.0004      0.0001 -0.0409  0.0000 -0.0000 -0.0006
  0.0000  0.0000  0.0000 -0.0004  0.5608     -0.0199  0.0046 -0.0000  0.0006 -0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0098  0.0086 -0.0000  0.0002  0.0001     -0.0000 -0.0010 -0.0168 -0.0007 -0.0438
  0.0000  0.0000  0.0005 -0.0167  0.0002     -0.0000  0.0167 -0.0001 -0.0000  0.0000
  0.0000  0.0003  0.0168  0.0065 -0.0434      0.0098 -0.0006  0.0000 -0.0011  0.0001
 -0.0000  0.0000  0.0002  0.0448  0.0102     -0.0003  0.0447  0.0000  0.0000 -0.0016
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0099  0.0086  0.0000  0.0003  0.0000     -0.0000  0.0010 -0.0167  0.0006 -0.0447
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0065  0.0448      0.0099  0.0007  0.0000  0.0011 -0.0000
 -0.0000  0.0001  0.0002 -0.0434  0.0102      0.0003  0.0438 -0.0000 -0.0001  0.0016
 
spin component  4
 
  0.6043  0.0003 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0001 -0.0201
  0.0003  0.5551 -0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0001 -0.0434 -0.0047
 -0.0001 -0.0000  0.6077 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5548  0.0004      0.0001  0.0434  0.0000  0.0000 -0.0007
  0.0000  0.0000 -0.0000  0.0004  0.5673      0.0201  0.0047  0.0000  0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4674  v =  0.0011  0.4830  0.0011  0.0580 -0.0163 -0.0033 -0.3626  0.0007 -0.0217 -0.0510      0.0000  0.0516 -0.0043 -0.4542 -0.3482 -0.0005  0.0111  0.0033 -0.3247  0.4390
  o =  0.4707  v = -0.0042 -0.3372 -0.0011 -0.0566  0.0004  0.0070 -0.4586  0.0006  0.0053  0.0510      0.0000 -0.0621  0.0034  0.3786 -0.4381  0.0010  0.0041  0.0047 -0.4884 -0.3040
  o =  0.5704  v = -0.3384  0.5227  0.0354  0.0708  0.0002 -0.2105 -0.3052  0.0451 -0.0423  0.0414      0.0000 -0.0336 -0.1159  0.2871  0.4067 -0.0329 -0.0417  0.3600 -0.0557 -0.2552
  o =  0.5760  v =  0.0708  0.2010 -0.1763 -0.0462 -0.0027  0.3124  0.3665 -0.0005  0.1624 -0.1050      0.0000 -0.0374  0.3296  0.4582 -0.0571  0.1032  0.1682  0.3428 -0.2637  0.3207
  o =  0.5797  v = -0.4223 -0.1432 -0.1348 -0.0299 -0.0014 -0.1432  0.1557 -0.0399  0.1112  0.0036      0.0000  0.0417  0.4069 -0.2918  0.3415 -0.0079  0.1111 -0.2678 -0.5076 -0.1118
  o =  0.5857  v =  0.4363  0.2462 -0.0678  0.0353 -0.0006 -0.5945  0.2830  0.0171  0.0442  0.0553      0.0000  0.0135  0.2540 -0.0866 -0.2628 -0.0876  0.0435  0.1175 -0.0448 -0.3710
  o =  0.6216  v =  0.4856  0.3227 -0.0564  0.0360 -0.0008  0.3363 -0.2366 -0.0588 -0.0218  0.0266      0.0000 -0.0104  0.2113  0.1369  0.2956  0.0474 -0.0217 -0.5363 -0.0400 -0.1975
  o =  0.6252  v =  0.0629 -0.1547 -0.3805  0.1581  0.0063  0.2740 -0.2001 -0.1893 -0.1975  0.1539      0.0000 -0.0279  0.3364 -0.3293  0.0325  0.2039 -0.2048  0.4683  0.1454 -0.2033
  o =  0.6281  v =  0.4050 -0.1227  0.1606 -0.0337  0.0002  0.1755  0.1260  0.0667  0.0965  0.0021      0.0000  0.0411 -0.4689 -0.2714  0.3230  0.0055  0.0979  0.3176 -0.4553 -0.1272
  o =  0.6371  v = -0.3286  0.3180  0.0506  0.0452  0.0004  0.4444  0.3408 -0.0135  0.0431  0.0741      0.0000  0.0218 -0.1967 -0.1387 -0.3734  0.0658  0.0435 -0.1084  0.0060 -0.4993
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5476  0.0000 -0.0002  0.0002     -0.0000 -0.0000 -0.0000  0.0398 -0.0014
 -0.0001  0.0000  0.6073  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5476 -0.0005      0.0000 -0.0398  0.0000  0.0000 -0.0007
  0.0000  0.0002 -0.0000 -0.0005  0.5586     -0.0199  0.0014 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0001  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0099  0.0030 -0.0000  0.0001  0.0000     -0.0000 -0.0011 -0.0169 -0.0003 -0.0435
  0.0000  0.0000  0.0002 -0.0166  0.0000     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0026 -0.0434      0.0098 -0.0003  0.0000 -0.0013  0.0001
 -0.0000 -0.0001  0.0000  0.0448  0.0032     -0.0001  0.0449  0.0000 -0.0001 -0.0014
 
spin component  3
 
  0.0001 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0099  0.0030  0.0000  0.0001 -0.0001     -0.0000  0.0011 -0.0166  0.0003 -0.0449
  0.0000 -0.0000  0.0002  0.0169  0.0000      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0026  0.0448      0.0099  0.0003  0.0000  0.0013  0.0001
 -0.0000  0.0000  0.0000 -0.0434  0.0032      0.0001  0.0435 -0.0000 -0.0001  0.0014
 
spin component  4
 
  0.6044  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5577 -0.0000 -0.0001 -0.0003     -0.0000  0.0000 -0.0000 -0.0447 -0.0014
 -0.0001 -0.0000  0.6078 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5577  0.0006      0.0000  0.0447  0.0000 -0.0000 -0.0006
 -0.0000 -0.0003  0.0000  0.0006  0.5694      0.0201  0.0014  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4677  v = -0.0011 -0.5253 -0.0015 -0.2309 -0.0164  0.0072  0.1792 -0.0003 -0.0099  0.2040      0.0000 -0.2283  0.0014  0.5191  0.1788  0.0031  0.0231 -0.0007  0.1669 -0.4632
  o =  0.4705  v =  0.0009  0.1667  0.0004  0.0565 -0.0042 -0.0038  0.5516 -0.0009 -0.0061 -0.0489      0.0000  0.0639 -0.0004 -0.1846  0.5420 -0.0015  0.0024 -0.0020  0.5559  0.1461
  o =  0.5715  v = -0.1542  0.5335  0.0019  0.2453  0.0001 -0.0216 -0.0776  0.2180 -0.0043  0.0155      0.0000 -0.2315 -0.0028  0.5084  0.1777 -0.0120 -0.0047  0.4764 -0.0753 -0.0262
  o =  0.5781  v = -0.5975 -0.0314  0.0953 -0.0195  0.0003 -0.2277 -0.3358 -0.0675 -0.0840  0.0883      0.0000  0.0980 -0.0871 -0.2201  0.5179 -0.0948 -0.0835 -0.1415 -0.1833 -0.2123
  o =  0.5802  v =  0.2473  0.1167  0.4162  0.0517  0.0012 -0.2450 -0.2152  0.0138 -0.3344  0.0949      0.0000  0.0224 -0.3855 -0.0490 -0.1946 -0.1098 -0.3331  0.0421  0.4033 -0.2124
  o =  0.5832  v =  0.1847  0.2053 -0.2369  0.0815 -0.0008 -0.5968  0.2226  0.0060  0.1683  0.1768      0.0000  0.0734  0.2326 -0.1765 -0.1267 -0.2420  0.1682  0.0182 -0.1075 -0.4361
  o =  0.6228  v = -0.2336 -0.3440  0.0033 -0.1558 -0.0001 -0.0431  0.0787  0.3312 -0.0018 -0.0113      0.0000  0.1450 -0.0087 -0.3192 -0.1555 -0.0207 -0.0017  0.7297  0.0651  0.0259
  o =  0.6267  v = -0.6128  0.0270  0.1574  0.0131  0.0001 -0.2556  0.3047 -0.0913  0.0908 -0.0867      0.0000 -0.0921 -0.1218  0.2057 -0.4707 -0.1128  0.0909 -0.2071  0.1655  0.1953
  o =  0.6284  v = -0.2512  0.0938 -0.5086  0.0499 -0.0004  0.1639 -0.1670 -0.0363 -0.3184  0.0758      0.0000  0.0123  0.4311 -0.0224 -0.2108  0.0878 -0.3191 -0.0572  0.3735 -0.1428
  o =  0.6326  v = -0.1752  0.2524  0.1856  0.1013 -0.0000  0.5370  0.2151 -0.0061  0.1371  0.2138      0.0000  0.0916 -0.1802 -0.2184 -0.1736  0.2200  0.1377 -0.0245 -0.0521 -0.5219
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6071  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5580 -0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0001  0.0439  0.0018
 -0.0000 -0.0000  0.6094 -0.0000  0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0000  0.5575  0.0006     -0.0000 -0.0439 -0.0000 -0.0000  0.0001
  0.0000 -0.0002  0.0000  0.0006  0.5667     -0.0197 -0.0018 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0000 -0.0096  0.0001
 -0.0097 -0.0037 -0.0000  0.0001 -0.0001     -0.0000  0.0003 -0.0164  0.0003 -0.0423
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0164 -0.0031 -0.0428      0.0097  0.0003 -0.0000  0.0003 -0.0001
  0.0000 -0.0001 -0.0001  0.0408 -0.0037      0.0001  0.0414 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0037  0.0000  0.0001 -0.0001      0.0000 -0.0003 -0.0167 -0.0003 -0.0414
 -0.0000 -0.0000 -0.0002  0.0164 -0.0001     -0.0000  0.0164 -0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0031  0.0408      0.0096 -0.0003  0.0000 -0.0003  0.0001
 -0.0000 -0.0001 -0.0001 -0.0428 -0.0037     -0.0001  0.0423  0.0000  0.0001 -0.0001
 
spin component  4
 
  0.6065 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0195
 -0.0001  0.5467 -0.0000  0.0000  0.0002      0.0000 -0.0000  0.0001 -0.0387  0.0017
 -0.0000 -0.0000  0.6089  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5471 -0.0006     -0.0000  0.0387 -0.0000  0.0000  0.0001
 -0.0000  0.0002 -0.0000 -0.0006  0.5556      0.0195 -0.0017  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4702  v = -0.0079 -0.1759  0.0001 -0.0077 -0.0025 -0.0013 -0.5760 -0.0003 -0.0032  0.0076      0.0000 -0.0058 -0.0007  0.1545 -0.5086 -0.0002  0.0021 -0.0023 -0.5695 -0.1737
  o =  0.4731  v =  0.0042 -0.5502  0.0003 -0.0296 -0.0012  0.0002  0.1666  0.0001 -0.0026  0.0293      0.0000 -0.0300 -0.0027  0.5568  0.1460  0.0001 -0.0002  0.0007  0.1900 -0.5473
  o =  0.5706  v = -0.0442 -0.1095 -0.0070  0.0108  0.0007  0.1794 -0.5986  0.0008  0.0076  0.0226      0.0000  0.0095 -0.4817  0.0970  0.0583 -0.0173  0.0088 -0.0077  0.5434  0.2329
  o =  0.5772  v = -0.2245 -0.3354 -0.0248 -0.0407 -0.0001  0.5408  0.0808 -0.0251  0.0239 -0.0322      0.0000  0.0078  0.1947  0.2186  0.2427  0.0320  0.0237 -0.0596 -0.2992  0.5424
  o =  0.5801  v =  0.3485  0.3461 -0.0156  0.0122  0.0001  0.2011  0.1623  0.0294  0.0146 -0.0261      0.0000 -0.0383  0.0314  0.5200 -0.3429  0.0296  0.0141  0.5027  0.1132  0.1815
  o =  0.5836  v = -0.5459  0.3708  0.0017  0.0240  0.0001 -0.1774 -0.2144  0.0354 -0.0013 -0.0047      0.0000 -0.0296 -0.0150  0.2436  0.4523  0.0064 -0.0016  0.4074 -0.1872 -0.1381
  o =  0.6230  v =  0.0951 -0.1081 -0.0113  0.0077 -0.0009 -0.3436 -0.3474 -0.0013 -0.0044  0.0138      0.0000  0.0053  0.7752  0.0811  0.0513  0.0233 -0.0049  0.0211  0.2985  0.1997
  o =  0.6259  v = -0.2737  0.2492 -0.0450  0.0319 -0.0003  0.6401 -0.0920 -0.0350 -0.0229  0.0272      0.0000 -0.0043  0.3503 -0.1799 -0.1777  0.0412 -0.0229 -0.0703  0.2573 -0.4233
  o =  0.6282  v =  0.3803 -0.2893 -0.0258 -0.0097 -0.0002  0.2032 -0.1421  0.0367 -0.0138  0.0230      0.0000  0.0327  0.0272 -0.4382  0.2888  0.0303 -0.0137  0.6279 -0.1050 -0.1541
  o =  0.6315  v = -0.5473 -0.3492  0.0018 -0.0219 -0.0002 -0.1700  0.2289  0.0364  0.0013  0.0044      0.0000  0.0268 -0.0277 -0.2077 -0.4669  0.0052  0.0012  0.4139  0.1976  0.1496
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6068  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0196
  0.0001  0.5519 -0.0000 -0.0000 -0.0000      0.0000 -0.0000  0.0001  0.0412  0.0023
 -0.0000 -0.0000  0.6091 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0000 -0.0001  0.5523  0.0005     -0.0000 -0.0412 -0.0000  0.0000  0.0006
 -0.0000 -0.0000 -0.0000  0.0005  0.5608     -0.0196 -0.0023 -0.0000 -0.0006  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0052 -0.0000 -0.0002 -0.0000      0.0000  0.0012 -0.0166  0.0004 -0.0423
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0166 -0.0041 -0.0418      0.0097  0.0004  0.0000  0.0013 -0.0000
  0.0000 -0.0000 -0.0001  0.0426 -0.0054      0.0001  0.0422 -0.0000 -0.0000  0.0017
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0052  0.0000 -0.0003 -0.0000     -0.0000 -0.0012 -0.0165 -0.0004 -0.0422
 -0.0000 -0.0000 -0.0003  0.0166 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0002 -0.0165 -0.0041  0.0426      0.0097 -0.0004  0.0000 -0.0013  0.0000
  0.0000 -0.0000 -0.0001 -0.0418 -0.0054     -0.0001  0.0423  0.0000  0.0000 -0.0017
 
spin component  4
 
  0.6069 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5531  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0001 -0.0421  0.0022
 -0.0000  0.0000  0.6092  0.0001  0.0000     -0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5527 -0.0005     -0.0000  0.0421 -0.0000 -0.0000  0.0007
  0.0000  0.0000  0.0000 -0.0005  0.5618      0.0196 -0.0022  0.0000 -0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v = -0.0014 -0.4157  0.0014 -0.1172 -0.0037  0.0017 -0.4166 -0.0007 -0.0104  0.1091      0.0000 -0.1106 -0.0023  0.3932 -0.3917  0.0005 -0.0026 -0.0025 -0.3961 -0.3881
  o =  0.4723  v =  0.0045 -0.3839  0.0015 -0.1167 -0.0040  0.0047  0.4166  0.0007 -0.0106  0.1089      0.0000 -0.1230 -0.0022  0.4088  0.3892  0.0013 -0.0022  0.0029  0.4367 -0.3591
  o =  0.5740  v =  0.3125  0.5004 -0.1003  0.1180  0.0003 -0.2410  0.3280  0.0721  0.1088  0.0861      0.0000 -0.0389  0.1560  0.2387 -0.3700 -0.0727  0.1081  0.3476  0.0008 -0.2834
  o =  0.5764  v = -0.0817 -0.1673 -0.1443 -0.1461  0.0014 -0.2258  0.3778 -0.1533  0.1430  0.0094      0.0000  0.1527  0.4113 -0.3701  0.0944 -0.0084  0.1381 -0.2681 -0.4387 -0.2520
  o =  0.5794  v =  0.3691 -0.1442  0.1751 -0.0363  0.0002 -0.2711 -0.0391 -0.0780 -0.1577  0.0668      0.0000  0.1070 -0.2428 -0.4070 -0.3481 -0.0719 -0.1575 -0.3092  0.3899 -0.2562
  o =  0.5833  v = -0.4413  0.2801  0.1030  0.0839 -0.0000 -0.4803 -0.3018  0.0372 -0.0794  0.1220      0.0000  0.0281 -0.1786 -0.0804  0.3578 -0.1497 -0.0787  0.1281 -0.0246 -0.3900
  o =  0.6242  v =  0.4531 -0.3286 -0.1302 -0.0679 -0.0006 -0.3654 -0.2492  0.0912 -0.0581 -0.0578      0.0000  0.0125  0.2550 -0.1210  0.2762 -0.0971 -0.0577  0.4873 -0.0075  0.2196
  o =  0.6258  v =  0.1280 -0.0936  0.0786 -0.1694  0.0038  0.2723  0.2570  0.2903  0.0438 -0.0467      0.0000  0.1267 -0.5871 -0.2553  0.0916 -0.0706  0.0412  0.3550 -0.3308 -0.1871
  o =  0.6277  v = -0.4036 -0.1192 -0.2393 -0.0468  0.0002  0.3013 -0.0372  0.1302 -0.1314  0.0438      0.0000  0.0934  0.3190 -0.3329 -0.2853  0.0640 -0.1319  0.4030  0.3232 -0.2101
  o =  0.6315  v =  0.4245  0.2843 -0.1113  0.0837 -0.0004  0.4647 -0.3012 -0.0372 -0.0740  0.1238      0.0000  0.0324  0.1980 -0.0900  0.3660  0.1446 -0.0741 -0.1494 -0.0405 -0.3976
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0002 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0002  0.5502  0.0000 -0.0003  0.0000     -0.0000  0.0000 -0.0001  0.0410 -0.0042
 -0.0001  0.0000  0.6072  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5500 -0.0005      0.0001 -0.0410  0.0000 -0.0000 -0.0006
  0.0000  0.0000  0.0000 -0.0005  0.5605     -0.0199  0.0042 -0.0000  0.0006  0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0099  0.0081 -0.0000  0.0002  0.0000     -0.0000 -0.0010 -0.0169 -0.0007 -0.0437
  0.0000  0.0000  0.0004 -0.0167  0.0002     -0.0000  0.0167 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0169  0.0062 -0.0438      0.0098 -0.0006  0.0000 -0.0012  0.0000
 -0.0000 -0.0002  0.0002  0.0446  0.0094     -0.0003  0.0450  0.0000 -0.0002 -0.0015
 
spin component  3
 
  0.0004 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0099  0.0081  0.0000  0.0002 -0.0002     -0.0000  0.0010 -0.0167  0.0006 -0.0450
  0.0000 -0.0000  0.0004  0.0169  0.0002      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0062  0.0446      0.0099  0.0007  0.0000  0.0012  0.0002
 -0.0000  0.0000  0.0002 -0.0438  0.0094      0.0003  0.0437 -0.0000 -0.0000  0.0015
 
spin component  4
 
  0.6042  0.0002 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0001 -0.0201
  0.0002  0.5558 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0001 -0.0440 -0.0043
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5560  0.0005      0.0001  0.0440  0.0000  0.0000 -0.0007
 -0.0000 -0.0000 -0.0000  0.0005  0.5675      0.0201  0.0043  0.0000  0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4673  v = -0.0013 -0.4946 -0.0014 -0.0753  0.0116  0.0038  0.3419 -0.0006  0.0180  0.0665      0.0000 -0.0694  0.0041  0.4687  0.3302  0.0007 -0.0056 -0.0029  0.3057 -0.4482
  o =  0.4706  v =  0.0037  0.3179  0.0009  0.0550  0.0066 -0.0068  0.4728 -0.0007  0.0029 -0.0498      0.0000  0.0609 -0.0030 -0.3582  0.4550 -0.0010 -0.0106 -0.0046  0.4991  0.2852
  o =  0.5710  v = -0.3366  0.5267  0.0270  0.0932  0.0011 -0.1869 -0.2829  0.0646 -0.0322  0.0459      0.0000 -0.0517 -0.1034  0.3207  0.3951 -0.0371 -0.0329  0.3857 -0.0673 -0.2226
  o =  0.5762  v = -0.1370 -0.1696  0.1090 -0.0417  0.0015 -0.3550 -0.3868 -0.0685 -0.1007  0.0452      0.0000  0.0791 -0.3263 -0.4649  0.1190 -0.0463 -0.0988 -0.3358  0.2253 -0.3576
  o =  0.5801  v =  0.4309  0.1275  0.1402  0.0333  0.0028  0.0921 -0.1812  0.0440 -0.1121 -0.0021      0.0000 -0.0430 -0.4459  0.2345 -0.3411  0.0061 -0.1118  0.2302  0.5286  0.0667
  o =  0.5854  v = -0.4161 -0.2485  0.0806 -0.0299  0.0015  0.5972 -0.2856 -0.0060 -0.0529 -0.0572      0.0000 -0.0211 -0.2646  0.0912  0.2531  0.0895 -0.0524 -0.1154  0.0550  0.3787
  o =  0.6219  v = -0.4749 -0.3342  0.0447 -0.0489  0.0005 -0.3021  0.2295  0.0839  0.0164 -0.0290      0.0000  0.0211 -0.1881 -0.1642 -0.2957 -0.0517  0.0169  0.5641  0.0474  0.1808
  o =  0.6253  v = -0.1246  0.1436  0.2129 -0.0228 -0.0005 -0.3632  0.2688 -0.0070  0.1148 -0.0718      0.0000 -0.0389 -0.4138  0.3791 -0.0765 -0.0936  0.1179 -0.4993 -0.1684  0.2701
  o =  0.6284  v = -0.4052  0.1093 -0.1572  0.0376 -0.0006 -0.1344 -0.1514 -0.0694 -0.0973 -0.0005      0.0000 -0.0431  0.5023  0.2292 -0.3312 -0.0029 -0.0999 -0.2646  0.4867  0.0961
  o =  0.6366  v = -0.3223  0.3185  0.0584  0.0380  0.0001  0.4528  0.3388 -0.0055  0.0486  0.0742      0.0000  0.0292 -0.2022 -0.1402 -0.3607  0.0671  0.0496 -0.1088 -0.0021 -0.5018
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5489  0.0000 -0.0003  0.0002     -0.0000 -0.0000 -0.0001  0.0406 -0.0017
 -0.0001  0.0000  0.6071  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5494 -0.0006      0.0000 -0.0406  0.0000 -0.0000 -0.0005
 -0.0000  0.0002  0.0000 -0.0006  0.5595     -0.0199  0.0017 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0037 -0.0000  0.0001  0.0000     -0.0000 -0.0008 -0.0169 -0.0004 -0.0439
  0.0000  0.0000  0.0002 -0.0167  0.0000     -0.0000  0.0166 -0.0000 -0.0000  0.0000
  0.0000  0.0000  0.0169  0.0031 -0.0433      0.0098 -0.0003  0.0000 -0.0009  0.0000
 -0.0000 -0.0002  0.0001  0.0450  0.0039     -0.0001  0.0446  0.0000 -0.0002 -0.0009
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0001
  0.0099  0.0037  0.0000  0.0000 -0.0002     -0.0000  0.0008 -0.0166  0.0003 -0.0446
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0167  0.0031  0.0450      0.0099  0.0004  0.0000  0.0009  0.0002
 -0.0000  0.0000  0.0000 -0.0433  0.0039      0.0001  0.0439 -0.0000 -0.0000  0.0009
 
spin component  4
 
  0.6042  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0201
  0.0001  0.5571 -0.0000 -0.0002 -0.0003     -0.0000 -0.0000 -0.0001 -0.0442 -0.0018
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5566  0.0006      0.0000  0.0442  0.0000  0.0000 -0.0004
  0.0000 -0.0003 -0.0000  0.0006  0.5684      0.0201  0.0018  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4679  v =  0.0010  0.5391  0.0010  0.1136 -0.0039 -0.0064 -0.2398  0.0004 -0.0086 -0.1011      0.0000  0.1103 -0.0021 -0.5298 -0.2346 -0.0013 -0.0007  0.0010 -0.2210  0.4815
  o =  0.4705  v = -0.0018 -0.2261 -0.0003 -0.0553  0.0073  0.0046 -0.5304  0.0005  0.0089  0.0485      0.0000 -0.0597  0.0009  0.2469 -0.5163  0.0012 -0.0063  0.0023 -0.5389 -0.2011
  o =  0.5727  v =  0.2076 -0.5584 -0.0044 -0.1542 -0.0001  0.0575  0.1085 -0.1395  0.0065 -0.0178      0.0000  0.1386  0.0107 -0.4972 -0.2298  0.0132  0.0070 -0.5041  0.0919  0.0651
  o =  0.5782  v = -0.4829 -0.0407  0.1726 -0.0046  0.0009 -0.3142 -0.3783 -0.0525 -0.1496  0.0911      0.0000  0.0822 -0.1953 -0.2953  0.4169 -0.0991 -0.1493 -0.1916 -0.0411 -0.2893
  o =  0.5795  v = -0.3817 -0.1183 -0.3050 -0.0580 -0.0023  0.1252  0.1958 -0.0304  0.2486 -0.0782      0.0000 -0.0018  0.4249 -0.0416  0.3113  0.0871  0.2490 -0.0978 -0.4997  0.1143
  o =  0.5832  v =  0.2456  0.2210 -0.1184  0.0361 -0.0014 -0.6303  0.2786  0.0018  0.0842  0.0759      0.0000  0.0311  0.2848 -0.1844 -0.1696 -0.1045  0.0847  0.0228 -0.1241 -0.4571
  o =  0.6232  v = -0.2909 -0.3768  0.0066 -0.1010  0.0001 -0.0938  0.1073  0.2022  0.0001 -0.0120      0.0000  0.0898 -0.0253 -0.3203 -0.1971 -0.0221  0.0004  0.7362  0.0751  0.0596
  o =  0.6268  v = -0.4620  0.0297  0.2810 -0.0082  0.0004 -0.3300  0.3355 -0.0527  0.1632 -0.0934      0.0000 -0.0742 -0.2724  0.2626 -0.3544 -0.1177  0.1645 -0.2563  0.0195  0.2566
  o =  0.6278  v =  0.4118 -0.0977  0.3660 -0.0601  0.0004 -0.0405  0.1181  0.0618  0.2241 -0.0635      0.0000  0.0086 -0.4601 -0.0758  0.3356 -0.0749  0.2265  0.1409 -0.4484  0.0410
  o =  0.6326  v = -0.2237  0.2672  0.0988  0.0440  0.0001  0.5548  0.2773 -0.0023  0.0724  0.0943      0.0000  0.0417 -0.2325 -0.2251 -0.2214  0.0967  0.0739 -0.0306 -0.0696 -0.5403
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6051 -0.0000 -0.0001  0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5479 -0.0000 -0.0003 -0.0002      0.0000 -0.0000 -0.0000  0.0396 -0.0005
 -0.0001 -0.0000  0.6074  0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0000
  0.0001 -0.0003  0.0000  0.5478 -0.0000      0.0000 -0.0396 -0.0000 -0.0000  0.0007
 -0.0000 -0.0002  0.0000 -0.0000  0.5554     -0.0196  0.0005 -0.0000 -0.0007 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0012 -0.0000 -0.0000  0.0002     -0.0000  0.0011 -0.0168 -0.0001 -0.0416
 -0.0000  0.0000  0.0001 -0.0166 -0.0000     -0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0168  0.0008 -0.0417      0.0097 -0.0001  0.0000  0.0014  0.0001
  0.0000 -0.0002 -0.0000  0.0428  0.0013     -0.0000  0.0430 -0.0000 -0.0002  0.0014
 
spin component  3
 
  0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0012  0.0000 -0.0000 -0.0002     -0.0000 -0.0011 -0.0165  0.0001 -0.0430
 -0.0000 -0.0000  0.0001  0.0168 -0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0166  0.0008  0.0428      0.0097  0.0001  0.0000 -0.0014  0.0002
  0.0000  0.0002 -0.0000 -0.0417  0.0013      0.0000  0.0416  0.0000 -0.0001 -0.0014
 
spin component  4
 
  0.6057  0.0000 -0.0001 -0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0000  0.5576  0.0000 -0.0003  0.0002      0.0000  0.0000 -0.0000 -0.0438 -0.0006
 -0.0001  0.0000  0.6079 -0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0003 -0.0000  0.5578  0.0000      0.0000  0.0438 -0.0000 -0.0000  0.0007
  0.0000  0.0002 -0.0000  0.0000  0.5659      0.0198  0.0006  0.0000 -0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v =  0.0009  0.3361 -0.0011 -0.4850 -0.0204 -0.0044 -0.0888 -0.0001 -0.0151  0.4331      0.0000 -0.4848  0.0004 -0.3356 -0.0954  0.0064  0.0253  0.0001 -0.0914  0.2998
  o =  0.4721  v = -0.0007  0.0680 -0.0004 -0.0642  0.0059 -0.0014  0.5698  0.0010  0.0073  0.0565      0.0000 -0.0727 -0.0000 -0.0756  0.5696  0.0016 -0.0043 -0.0008  0.5694  0.0607
  o =  0.5720  v = -0.1102  0.3384  0.0075 -0.4773 -0.0003  0.0005 -0.0564 -0.4353 -0.0074 -0.0074      0.0000  0.4688  0.0027  0.3390  0.1301  0.0075 -0.0064  0.3116 -0.0616  0.0029
  o =  0.5768  v = -0.6159 -0.0095 -0.0196  0.0400 -0.0001 -0.1074 -0.3077  0.0917  0.0155 -0.0994      0.0000 -0.1319 -0.0088 -0.1103  0.5941  0.0961  0.0149 -0.0633 -0.2922 -0.1115
  o =  0.5799  v =  0.1021  0.1325 -0.5368 -0.1007  0.0001 -0.2980  0.0575 -0.0151  0.4397 -0.2090      0.0000 -0.0759  0.0175 -0.1005 -0.0898  0.2274  0.4385  0.0187  0.0282 -0.2740
  o =  0.5816  v = -0.1261 -0.1568 -0.3811  0.1586 -0.0004  0.3988  0.0023  0.0115  0.2914  0.3426      0.0000  0.1455  0.0643  0.1421  0.0977 -0.4053  0.2918 -0.0124 -0.0957  0.3375
  o =  0.6231  v = -0.2043 -0.2102  0.0151  0.3139  0.0002 -0.0051  0.0581 -0.6727  0.0093  0.0109      0.0000 -0.3029  0.0057 -0.2046 -0.1283  0.0163  0.0087  0.4523  0.0648  0.0049
  o =  0.6254  v = -0.7176  0.0173 -0.0205 -0.0510  0.0000 -0.1317  0.2546  0.1706 -0.0139  0.0798      0.0000  0.1263 -0.0115  0.0997 -0.4944  0.1195 -0.0135 -0.1122  0.2420  0.0885
  o =  0.6280  v = -0.0955  0.1152  0.6518 -0.0863  0.0007  0.2849  0.0561  0.0216  0.3990 -0.1677      0.0000 -0.0616 -0.0329 -0.0843 -0.0740 -0.2125  0.3989 -0.0274  0.0153 -0.2245
  o =  0.6298  v = -0.1281  0.1685 -0.3603 -0.1716 -0.0001  0.4197  0.0069  0.0115 -0.2388 -0.3560      0.0000 -0.1538  0.0707 -0.1523 -0.1104 -0.4254 -0.2393 -0.0089  0.1000 -0.3516
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053  0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0195
  0.0001  0.5444 -0.0000 -0.0001 -0.0000     -0.0000  0.0000  0.0001  0.0375  0.0020
 -0.0001 -0.0000  0.6078 -0.0001  0.0000     -0.0000 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5447  0.0002     -0.0000 -0.0375  0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0000  0.0002  0.5521     -0.0195 -0.0020 -0.0000 -0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0098  0.0001
 -0.0097 -0.0037 -0.0000 -0.0001  0.0002     -0.0000  0.0001 -0.0169  0.0005 -0.0417
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0030 -0.0414      0.0097  0.0004  0.0000  0.0001  0.0002
  0.0000 -0.0001 -0.0000  0.0440 -0.0042      0.0001  0.0437  0.0000 -0.0000  0.0003
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0037  0.0000 -0.0001 -0.0001     -0.0000 -0.0001 -0.0164 -0.0004 -0.0437
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0030  0.0440      0.0098 -0.0005  0.0000 -0.0001  0.0000
  0.0000  0.0002 -0.0000 -0.0414 -0.0042     -0.0001  0.0417 -0.0000 -0.0002 -0.0003
 
spin component  4
 
  0.6064 -0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0199
 -0.0001  0.5622  0.0000 -0.0004  0.0000     -0.0000  0.0000  0.0000 -0.0468  0.0021
 -0.0001  0.0000  0.6086  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5618 -0.0003     -0.0000  0.0468  0.0000 -0.0000  0.0001
 -0.0000  0.0000  0.0000 -0.0003  0.5704      0.0199 -0.0021  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v =  0.0019 -0.5899  0.0003 -0.0516 -0.0111  0.0098 -0.1239 -0.0002 -0.0123  0.0436      0.0000 -0.0500 -0.0021  0.5857 -0.1277  0.0009  0.0096 -0.0004 -0.1038 -0.5089
  o =  0.4722  v = -0.0033 -0.1144  0.0000 -0.0253 -0.0139  0.0036  0.5553 -0.0000 -0.0138  0.0210      0.0000 -0.0256 -0.0006  0.1366  0.5779  0.0005  0.0137  0.0024  0.5605 -0.0971
  o =  0.5680  v =  0.1449  0.6079 -0.0035  0.0219 -0.0003 -0.0275  0.0905  0.0166  0.0054  0.0043      0.0000 -0.0192  0.0042  0.5715 -0.1934 -0.0010  0.0049  0.4757  0.0869 -0.0385
  o =  0.5758  v =  0.5776 -0.0775 -0.0143  0.0010 -0.0002 -0.1632  0.3265 -0.0060  0.0156  0.0145      0.0000  0.0115  0.0215 -0.2401 -0.5733 -0.0140  0.0158 -0.1598  0.2841 -0.1811
  o =  0.5825  v =  0.1766 -0.1928  0.0649 -0.0285  0.0015  0.5249 -0.2500  0.0029 -0.0479 -0.0687      0.0000 -0.0278 -0.4209  0.1718 -0.1337  0.0799 -0.0480 -0.0169  0.3796  0.4507
  o =  0.5854  v =  0.1128 -0.1534  0.0297  0.0081 -0.0024  0.4575  0.4118 -0.0006 -0.0186  0.0223      0.0000  0.0119  0.5723  0.1408 -0.0730 -0.0301 -0.0195 -0.0041 -0.3420  0.3345
  o =  0.6217  v = -0.3076  0.3373  0.0094  0.0053 -0.0000  0.0688  0.0933 -0.0138  0.0032  0.0005      0.0000 -0.0050 -0.0066  0.3038 -0.1754  0.0057  0.0027 -0.8045  0.0784 -0.0353
  o =  0.6247  v =  0.6879  0.0921 -0.0215 -0.0014  0.0000 -0.2088 -0.2450 -0.0047 -0.0092 -0.0095      0.0000 -0.0073  0.0253  0.2134  0.4483 -0.0138 -0.0094 -0.3158 -0.2234  0.1303
  o =  0.6305  v =  0.1483  0.1845  0.0653  0.0249  0.0011  0.4739  0.2757 -0.0007  0.0434  0.0602      0.0000  0.0272 -0.5028 -0.1635  0.1300  0.0703  0.0456 -0.0126 -0.4030 -0.4078
  o =  0.6340  v = -0.1079 -0.2024 -0.0180  0.0065  0.0008 -0.4493  0.4232  0.0024 -0.0151  0.0148      0.0000  0.0075 -0.4805  0.1866 -0.1073  0.0154 -0.0130  0.0147 -0.3190  0.4312
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5582  0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0448 -0.0002
 -0.0001  0.0000  0.6081  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5581 -0.0001      0.0000 -0.0448  0.0000 -0.0000 -0.0002
 -0.0000 -0.0000  0.0000 -0.0001  0.5662     -0.0199  0.0002 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0005 -0.0000  0.0001  0.0001     -0.0000 -0.0004 -0.0166 -0.0000 -0.0439
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0166  0.0005 -0.0440      0.0098  0.0000  0.0000 -0.0004  0.0001
 -0.0000 -0.0002  0.0000  0.0430  0.0004     -0.0000  0.0432  0.0000 -0.0002 -0.0006
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0005  0.0000  0.0001 -0.0002     -0.0000  0.0004 -0.0169 -0.0000 -0.0432
  0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0169  0.0005  0.0430      0.0098  0.0000  0.0000  0.0004  0.0002
 -0.0000  0.0001  0.0000 -0.0440  0.0004      0.0000  0.0439 -0.0000 -0.0001  0.0006
 
spin component  4
 
  0.6052  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0197
  0.0000  0.5486 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0411 -0.0002
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5487  0.0001      0.0000  0.0411  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0001  0.5566      0.0197  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4682  v = -0.0076  0.0306  0.0001  0.0382  0.0037  0.0002 -0.5956  0.0002  0.0034 -0.0383      0.0000  0.0356 -0.0000 -0.0271 -0.5327  0.0002 -0.0048  0.0004 -0.5955  0.0302
  o =  0.4703  v =  0.0009  0.3945  0.0005  0.4196  0.0037  0.0004  0.0494 -0.0000  0.0018 -0.4193      0.0000  0.4193 -0.0001 -0.3937  0.0424  0.0005 -0.0062  0.0001  0.0499  0.3938
  o =  0.5736  v = -0.0075  0.0243  0.5036  0.0116  0.0014 -0.0406 -0.2633 -0.0002 -0.5222  0.0244      0.0000  0.0105 -0.2494 -0.0163  0.0117 -0.0219 -0.5213  0.0035  0.2538 -0.0450
  o =  0.5782  v =  0.0643 -0.1649  0.0479 -0.2944 -0.0000  0.3149  0.0327 -0.0319 -0.0427 -0.5300      0.0000 -0.2365  0.0049  0.1241 -0.0623  0.5784 -0.0420 -0.0206  0.0241  0.2884
  o =  0.5811  v = -0.3634  0.3561 -0.0034  0.2274 -0.0000  0.0242 -0.1318  0.3252  0.0006 -0.0555      0.0000 -0.2828  0.0065  0.3741  0.3161  0.0709  0.0008  0.4660 -0.1424  0.0181
  o =  0.5817  v =  0.6016  0.2329  0.0054  0.1688  0.0002 -0.0256  0.2235  0.2055 -0.0024  0.0244      0.0000 -0.1461 -0.0009  0.2136 -0.5080 -0.0290 -0.0023  0.2914  0.2251 -0.0213
  o =  0.6241  v = -0.0147 -0.0189  0.8011 -0.0129  0.0005 -0.0519  0.0934 -0.0013  0.3862 -0.0304      0.0000 -0.0159 -0.1873  0.0130 -0.0070 -0.0465  0.3867  0.0068 -0.0874  0.0338
  o =  0.6267  v =  0.0712  0.1466  0.0699  0.2595  0.0004  0.3557 -0.0275 -0.0442  0.0391  0.4711      0.0000  0.2110  0.0067 -0.1117  0.0509  0.6472  0.0390 -0.0334 -0.0203 -0.2586
  o =  0.6291  v = -0.2193 -0.3621  0.0005 -0.2287  0.0000  0.0177  0.0750  0.3989 -0.0008  0.0530      0.0000  0.2818  0.0084 -0.3781 -0.1791  0.0631 -0.0010  0.5785  0.0851 -0.0158
  o =  0.6300  v = -0.6696  0.1347 -0.0047  0.1027  0.0002  0.0277  0.2557 -0.1302 -0.0048  0.0342      0.0000 -0.0699  0.0010  0.1124 -0.5637  0.0404 -0.0046 -0.1862  0.2576 -0.0237
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0001 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5591 -0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0000  0.0445 -0.0003
 -0.0001 -0.0000  0.6082  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0000  0.5591 -0.0001      0.0000 -0.0445  0.0000  0.0000 -0.0004
  0.0000  0.0002 -0.0000 -0.0001  0.5673     -0.0198  0.0003 -0.0000  0.0004 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0007 -0.0000 -0.0000  0.0002     -0.0000 -0.0006 -0.0165  0.0000 -0.0431
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0165  0.0005 -0.0430      0.0097  0.0000  0.0000 -0.0008  0.0002
 -0.0000 -0.0001  0.0000  0.0419  0.0007     -0.0000  0.0416  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0007  0.0000 -0.0000 -0.0001     -0.0000  0.0006 -0.0168 -0.0000 -0.0416
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0168  0.0005  0.0419      0.0097 -0.0000  0.0000  0.0008  0.0001
 -0.0000  0.0002  0.0000 -0.0430  0.0007      0.0000  0.0431 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6052  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0196
  0.0000  0.5471  0.0000 -0.0003 -0.0002     -0.0000  0.0000 -0.0000 -0.0390 -0.0003
 -0.0001  0.0000  0.6075 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5469  0.0001      0.0000  0.0390  0.0000 -0.0000 -0.0004
 -0.0000 -0.0002  0.0000  0.0001  0.5547      0.0196  0.0003  0.0000  0.0004  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v = -0.0088  0.0328  0.0001  0.0287 -0.0033  0.0003 -0.5981  0.0006 -0.0045 -0.0287      0.0000  0.0242  0.0001 -0.0290 -0.5275  0.0004  0.0029  0.0004 -0.5989  0.0330
  o =  0.4723  v =  0.0011  0.3975  0.0007  0.4135 -0.0035  0.0012  0.0443  0.0002 -0.0068 -0.4185      0.0000  0.4124  0.0001 -0.3975  0.0360  0.0012  0.0006 -0.0000  0.0439  0.4030
  o =  0.5712  v = -0.0101  0.0082  0.4717  0.0279 -0.0010 -0.0237  0.2660 -0.0024 -0.5282  0.0658      0.0000  0.0324  0.2425 -0.0184  0.0152 -0.0543 -0.5294 -0.0055 -0.2781 -0.0288
  o =  0.5769  v =  0.0564 -0.2696  0.0631 -0.1944 -0.0000  0.5151  0.0243 -0.0086 -0.0586 -0.3621      0.0000 -0.1747 -0.0029  0.2354 -0.0589  0.3765 -0.0596 -0.0172  0.0296  0.4958
  o =  0.5812  v = -0.5009  0.2001 -0.0003  0.2742  0.0002  0.0547 -0.1929  0.3657 -0.0023 -0.0247      0.0000 -0.2983 -0.0048  0.2417  0.4419  0.0327 -0.0025  0.2820 -0.1848  0.0422
  o =  0.5821  v =  0.4893  0.2364  0.0113  0.3039 -0.0001 -0.0188  0.1824  0.3910 -0.0075  0.0199      0.0000 -0.2867  0.0030  0.2214 -0.4121 -0.0235 -0.0077  0.3030  0.1775 -0.0166
  o =  0.6228  v = -0.0181 -0.0119  0.7943 -0.0252 -0.0011 -0.0604 -0.1148 -0.0055  0.3541 -0.0591      0.0000 -0.0319  0.2652  0.0242 -0.0079 -0.0959  0.3534 -0.0096  0.1216  0.0372
  o =  0.6254  v =  0.0706  0.2204  0.1144  0.1668 -0.0002  0.5963 -0.0207 -0.0168  0.0593  0.3152      0.0000  0.1518 -0.0030 -0.1934  0.0473  0.4595  0.0595 -0.0276 -0.0236 -0.4094
  o =  0.6291  v = -0.4072 -0.2172  0.0113 -0.2973 -0.0001  0.0488  0.1510  0.4817  0.0047  0.0238      0.0000  0.3210 -0.0053 -0.2584 -0.3322  0.0275  0.0049  0.3703  0.1445 -0.0414
  o =  0.6301  v = -0.5789  0.1805 -0.0111  0.2308 -0.0001  0.0277  0.2229 -0.3275 -0.0079  0.0249      0.0000 -0.2077 -0.0028  0.1584 -0.4888  0.0291 -0.0081 -0.2531  0.2185 -0.0234
     EDDAV:  cpu time   74.3519: real time   75.1279
       DOS:  cpu time    0.0464: real time    0.0520
    CHARGE:  cpu time    1.1613: real time    1.1720
    MIXING:  cpu time    0.0366: real time    0.0368
    --------------------------------------------
      LOOP:  cpu time   76.5107: real time   77.3105

 eigenvalue-minimisations  : 13320
 total energy-change (2. order) : 0.5980852E-03  (-0.6092575E-03)
 number of electron    1039.9999692 magnetization       0.0460748     -0.0010142     -0.0599966
 augmentation part       28.5430627 magnetization       0.0086733      0.0002623     -0.0157056

 Broyden mixing:
  rms(total) = 0.20274E+00    rms(broyden)= 0.20274E+00
  rms(prec ) = 0.21629E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6358
  2.4205  2.4205  1.2912  1.0105  0.6745  0.6745  0.5206  0.5206  0.4023  0.4023
  0.1912  0.1628  0.1590  0.0951  0.1297  0.1297  0.1200  0.1200

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.51517946
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.60200293
  PAW double counting   =     84321.22681783   -83142.43152767
  entropy T*S    EENTRO =        -0.15509520
  eigenvalues    EBANDS =     -6098.49375117
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.23939249 eV

  energy without entropy =    -1066.08429729  energy(sigma->0) =    -1066.18769409


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  24)  ---------------------------------------


    POTLOK:  cpu time    0.4709: real time    0.4758
    SETDIJ:  cpu time    0.4471: real time    0.4495
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055 -0.0001 -0.0000  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0001  0.5443 -0.0001  0.0001 -0.0001      0.0000  0.0000 -0.0000  0.0376 -0.0013
 -0.0000 -0.0001  0.6079  0.0000  0.0000     -0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5445  0.0000      0.0000 -0.0376 -0.0000 -0.0000  0.0014
  0.0000 -0.0001  0.0000  0.0000  0.5524     -0.0195  0.0013 -0.0000 -0.0014 -0.0000
 
spin component  2
 
  0.0001  0.0098 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0098 -0.0001
 -0.0097  0.0023 -0.0000 -0.0003  0.0001     -0.0000  0.0021 -0.0170 -0.0003 -0.0417
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0001 -0.0000 -0.0001
 -0.0000 -0.0004  0.0170  0.0017 -0.0413      0.0097 -0.0002  0.0000  0.0025  0.0001
  0.0001  0.0001  0.0000  0.0437  0.0027     -0.0001  0.0434 -0.0001  0.0001  0.0030
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0098  0.0023 -0.0000 -0.0004  0.0001     -0.0000 -0.0021 -0.0164  0.0002 -0.0434
 -0.0000 -0.0000  0.0001  0.0170  0.0000      0.0000  0.0170 -0.0001 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0017  0.0437      0.0098  0.0003  0.0000 -0.0025 -0.0001
  0.0001  0.0001  0.0000 -0.0413  0.0027      0.0001  0.0417  0.0001 -0.0001 -0.0030
 
spin component  4
 
  0.6065  0.0001 -0.0000 -0.0001 -0.0000     -0.0000 -0.0000  0.0000 -0.0000 -0.0199
  0.0001  0.5619  0.0001 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0468 -0.0014
 -0.0000  0.0001  0.6087 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5614  0.0000      0.0000  0.0468 -0.0000  0.0000  0.0015
 -0.0000  0.0001  0.0000  0.0000  0.5697      0.0199  0.0014  0.0000 -0.0015 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v = -0.0016 -0.3754  0.0020  0.4623 -0.0029  0.0063  0.0961  0.0004 -0.0123 -0.3986      0.0000  0.4592 -0.0004  0.3734  0.1094 -0.0077 -0.0068 -0.0001  0.0992 -0.3238
  o =  0.4721  v =  0.0029 -0.0608  0.0004  0.0783  0.0058  0.0020 -0.5625 -0.0017  0.0038 -0.0664      0.0000  0.0941 -0.0000  0.0746 -0.5799 -0.0025 -0.0077  0.0015 -0.5620 -0.0518
  o =  0.5680  v =  0.1334 -0.4078 -0.0016  0.4527  0.0001  0.0211  0.0820  0.3579 -0.0013  0.0187      0.0000 -0.4351  0.0004 -0.3812 -0.1788 -0.0137 -0.0008 -0.3183  0.0802  0.0288
  o =  0.5757  v = -0.5754 -0.0421 -0.0276  0.0411  0.0004 -0.1135 -0.2877  0.1078  0.0250 -0.1480      0.0000 -0.1726  0.0175 -0.1551  0.5770  0.1324  0.0253 -0.0988 -0.3222 -0.1271
  o =  0.5824  v =  0.1923  0.1247 -0.3927 -0.1686  0.0001 -0.3359  0.1146 -0.0205  0.2967 -0.3713      0.0000 -0.1337  0.0556 -0.1118 -0.1481  0.4278  0.2974  0.0063  0.0303 -0.2911
  o =  0.5851  v =  0.1058  0.1077  0.5888 -0.0924  0.0001 -0.3260  0.0533 -0.0070 -0.3938 -0.2048      0.0000 -0.0879  0.0290 -0.1074 -0.0703  0.2743 -0.3951  0.0047  0.0138 -0.2433
  o =  0.6218  v =  0.2877  0.2237  0.0008 -0.2555 -0.0000  0.0463 -0.0786  0.6154 -0.0040 -0.0199      0.0000  0.2362 -0.0010  0.2007  0.1637 -0.0390 -0.0040 -0.5319 -0.0807 -0.0242
  o =  0.6248  v = -0.6941  0.0513 -0.0349 -0.0571 -0.0003 -0.1473  0.2209  0.2204 -0.0197  0.1050      0.0000  0.1540  0.0252  0.1356 -0.4497  0.1691 -0.0199 -0.1935  0.2466  0.0914
  o =  0.6305  v =  0.1666 -0.1186 -0.4768  0.1617  0.0002 -0.3054 -0.1207 -0.0280 -0.3185  0.3377      0.0000  0.1279  0.0745  0.1036  0.1434  0.3973 -0.3187  0.0149 -0.0205  0.2594
  o =  0.6336  v = -0.1031  0.1415 -0.5090 -0.1251  0.0007  0.3265  0.0612  0.0040 -0.3849 -0.2656      0.0000 -0.1146 -0.0156 -0.1358 -0.1011 -0.2826 -0.3852 -0.0014  0.0370 -0.3065
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6053  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5463  0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0000  0.0387  0.0017
 -0.0000  0.0000  0.6076 -0.0001  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5463  0.0003     -0.0000 -0.0387 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0003  0.5542     -0.0196 -0.0017 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0032  0.0000  0.0001 -0.0000     -0.0000  0.0000 -0.0169  0.0004 -0.0419
  0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169 -0.0027 -0.0420      0.0097  0.0003  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0433 -0.0037      0.0001  0.0435  0.0000 -0.0001 -0.0002
 
spin component  3
 
 -0.0002 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0032  0.0000  0.0001 -0.0001     -0.0000 -0.0000 -0.0165 -0.0003 -0.0435
 -0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0165 -0.0027  0.0433      0.0097 -0.0004  0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0420 -0.0037     -0.0001  0.0419 -0.0000  0.0000  0.0002
 
spin component  4
 
  0.6061 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5594 -0.0000  0.0000  0.0001      0.0000 -0.0000  0.0000 -0.0453  0.0018
 -0.0000 -0.0000  0.6082  0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5594 -0.0003     -0.0000  0.0453 -0.0000  0.0000  0.0000
  0.0000  0.0001 -0.0000 -0.0003  0.5673      0.0198 -0.0018  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v = -0.0016  0.5836 -0.0001  0.0139 -0.0084 -0.0080  0.1439 -0.0000 -0.0078 -0.0125      0.0000  0.0141  0.0019 -0.5790  0.1457 -0.0001  0.0081  0.0005  0.1260  0.5152
  o =  0.4716  v =  0.0015  0.1372  0.0001 -0.0113 -0.0229 -0.0034 -0.5551 -0.0001 -0.0230  0.0090      0.0000 -0.0108  0.0006 -0.1567 -0.5642  0.0002  0.0225 -0.0021 -0.5602  0.1198
  o =  0.5700  v = -0.1509 -0.5950 -0.0011 -0.0174 -0.0001  0.0233 -0.0892 -0.0143  0.0019 -0.0017      0.0000  0.0160 -0.0053 -0.5654  0.1901  0.0010  0.0009 -0.5003 -0.0829  0.0305
  o =  0.5764  v =  0.5695 -0.0502  0.0058 -0.0129  0.0000 -0.2133  0.3453 -0.0059 -0.0046 -0.0169      0.0000 -0.0017  0.0605 -0.2547 -0.5557  0.0160 -0.0051 -0.1591  0.2315 -0.2268
  o =  0.5810  v =  0.2189 -0.1898 -0.0180  0.0143  0.0010  0.4387 -0.2842  0.0009  0.0140  0.0323      0.0000  0.0134 -0.4716  0.1349 -0.1786 -0.0361  0.0153 -0.0366  0.4589  0.3936
  o =  0.5835  v =  0.1358 -0.1906  0.0037  0.0095 -0.0006  0.5054  0.3974  0.0032 -0.0022  0.0184      0.0000  0.0064  0.4937  0.1633 -0.0981 -0.0236 -0.0025 -0.0144 -0.3046  0.3972
  o =  0.6223  v = -0.2843  0.3574 -0.0033  0.0095  0.0001  0.0609  0.0918 -0.0229 -0.0021 -0.0006      0.0000 -0.0101 -0.0142  0.3256 -0.1691  0.0003 -0.0016 -0.7986  0.0707 -0.0330
  o =  0.6252  v =  0.6687  0.0663  0.0026  0.0098 -0.0002 -0.2608 -0.2688 -0.0091  0.0018  0.0106      0.0000 -0.0002  0.0753  0.2256  0.4496  0.0165  0.0019 -0.2874 -0.1922  0.1712
  o =  0.6290  v = -0.1990 -0.1670  0.0165  0.0094 -0.0002 -0.4087 -0.2859  0.0013  0.0106  0.0225      0.0000  0.0107  0.5737  0.1218 -0.1627  0.0275  0.0105  0.0315  0.4460  0.3338
  o =  0.6318  v = -0.1377 -0.2248 -0.0045  0.0119  0.0002 -0.5134  0.3767 -0.0030 -0.0034  0.0216      0.0000  0.0075 -0.4410  0.1939 -0.1270  0.0244 -0.0031  0.0251 -0.2543  0.4586
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6062 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5595 -0.0000  0.0000  0.0002     -0.0000 -0.0000 -0.0000  0.0450 -0.0004
 -0.0000 -0.0000  0.6084  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5596 -0.0001      0.0000 -0.0450  0.0000 -0.0000 -0.0002
  0.0000  0.0002  0.0000 -0.0001  0.5675     -0.0198  0.0004 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008 -0.0000 -0.0000  0.0001     -0.0000 -0.0004 -0.0165 -0.0000 -0.0431
  0.0000 -0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0165  0.0006 -0.0431      0.0097 -0.0000  0.0000 -0.0004  0.0001
 -0.0000  0.0000  0.0000  0.0418  0.0007     -0.0000  0.0417  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008 -0.0000 -0.0001  0.0000     -0.0000  0.0004 -0.0169  0.0000 -0.0417
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0006  0.0418      0.0097  0.0000  0.0000  0.0004 -0.0000
 -0.0000  0.0001  0.0000 -0.0431  0.0007      0.0000  0.0431 -0.0000 -0.0001  0.0002
 
spin component  4
 
  0.6054  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5464  0.0000 -0.0001 -0.0001     -0.0000  0.0000 -0.0000 -0.0384 -0.0003
 -0.0000  0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5463  0.0001      0.0000  0.0384  0.0000  0.0000 -0.0002
 -0.0000 -0.0001 -0.0000  0.0001  0.5546      0.0196  0.0003  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v = -0.0089  0.0296  0.0000  0.0083 -0.0031  0.0003 -0.5993  0.0003 -0.0036 -0.0082      0.0000  0.0061  0.0001 -0.0252 -0.5277  0.0002  0.0032  0.0005 -0.5998  0.0296
  o =  0.4722  v =  0.0008  0.5221  0.0005  0.2378 -0.0043  0.0016  0.0289  0.0000 -0.0068 -0.2412      0.0000  0.2379 -0.0004 -0.5223  0.0247  0.0007  0.0028 -0.0000  0.0324  0.5298
  o =  0.5704  v =  0.0036 -0.0037 -0.4987 -0.0214 -0.0001  0.0115 -0.1732  0.0024  0.5744 -0.0521      0.0000 -0.0255 -0.1519  0.0101 -0.0051  0.0417  0.5752  0.0031  0.1772  0.0145
  o =  0.5768  v = -0.0429  0.3165 -0.0320  0.0581  0.0003 -0.6270  0.0109 -0.0035  0.0299  0.1193      0.0000  0.0637  0.0333 -0.3016  0.0452 -0.1235  0.0309  0.0077 -0.0522 -0.6067
  o =  0.5816  v =  0.6033 -0.1975  0.0003 -0.1499 -0.0001 -0.0456  0.2282 -0.1951  0.0005  0.0038      0.0000  0.1527  0.0032 -0.2322 -0.5266 -0.0056  0.0009 -0.2767  0.2237 -0.0361
  o =  0.5825  v = -0.3582 -0.3705 -0.0043 -0.2600  0.0001  0.0186 -0.1330 -0.3411  0.0033 -0.0095      0.0000  0.2510 -0.0020 -0.3568  0.2990  0.0116  0.0040 -0.4854 -0.1289  0.0147
  o =  0.6227  v =  0.0061  0.0086 -0.8447  0.0182  0.0001  0.0405  0.0299  0.0055 -0.3660  0.0455      0.0000  0.0254 -0.0716 -0.0154  0.0028  0.0751 -0.3662  0.0059 -0.0323 -0.0246
  o =  0.6254  v = -0.0522 -0.2609 -0.0633 -0.0627  0.0001 -0.7368 -0.0135 -0.0024 -0.0324 -0.1272      0.0000 -0.0660  0.0580  0.2474 -0.0339 -0.1867 -0.0326  0.0125  0.0455  0.5028
  o =  0.6297  v = -0.5096 -0.2552  0.0052 -0.1960 -0.0001  0.0381  0.1891  0.3036  0.0021  0.0032      0.0000  0.1987 -0.0022 -0.2868 -0.4200  0.0032  0.0026  0.4167  0.1857 -0.0324
  o =  0.6305  v =  0.4934 -0.2916  0.0066 -0.2098  0.0002 -0.0244 -0.1906  0.3039  0.0035 -0.0113      0.0000  0.1990  0.0033 -0.2709  0.4179 -0.0131  0.0041  0.4182 -0.1867  0.0217
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6065 -0.0000 -0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0000  0.5627  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0472 -0.0005
 -0.0000  0.0000  0.6088  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5625 -0.0000      0.0000 -0.0472  0.0000 -0.0000 -0.0007
 -0.0000  0.0000 -0.0000 -0.0000  0.5706     -0.0199  0.0005 -0.0000  0.0007 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0098  0.0008  0.0000  0.0002 -0.0000     -0.0000 -0.0010 -0.0164 -0.0000 -0.0436
  0.0000  0.0000  0.0000 -0.0170  0.0000     -0.0000  0.0170 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0164  0.0005 -0.0436      0.0097 -0.0000  0.0000 -0.0012 -0.0000
 -0.0000 -0.0001  0.0000  0.0414  0.0008     -0.0000  0.0415  0.0000 -0.0001 -0.0014
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0001 -0.0001     -0.0000  0.0010 -0.0170  0.0000 -0.0415
  0.0000  0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0170  0.0005  0.0414      0.0097  0.0000  0.0000  0.0012  0.0001
 -0.0000 -0.0000  0.0000 -0.0436  0.0008      0.0000  0.0436 -0.0000  0.0000  0.0014
 
spin component  4
 
  0.6053  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5434 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0370 -0.0004
 -0.0000 -0.0000  0.6078 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5434  0.0000      0.0000  0.0370  0.0000 -0.0000 -0.0006
  0.0000 -0.0000  0.0000  0.0000  0.5517      0.0195  0.0004  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v =  0.0109 -0.0179 -0.0001 -0.0437 -0.0029 -0.0003  0.6032 -0.0008 -0.0030  0.0449      0.0000 -0.0365  0.0001  0.0144  0.5156 -0.0006  0.0036 -0.0004  0.6033 -0.0183
  o =  0.4722  v = -0.0014 -0.2483 -0.0008 -0.5099 -0.0027 -0.0016 -0.0511  0.0001  0.0006  0.5320      0.0000 -0.5102 -0.0006  0.2486 -0.0372 -0.0035  0.0065  0.0001 -0.0456 -0.2590
  o =  0.5673  v =  0.0014  0.0127 -0.1143 -0.0280  0.0010 -0.0152 -0.5959 -0.0004  0.1442 -0.0644      0.0000 -0.0293 -0.4719 -0.0067 -0.0022  0.0473  0.1452  0.0032  0.5986 -0.0207
  o =  0.5756  v =  0.0692 -0.1688  0.0478 -0.2900  0.0003  0.3121  0.0597 -0.0086 -0.0474 -0.5342      0.0000 -0.2724  0.0256  0.1593 -0.0774  0.5349 -0.0474 -0.0045  0.0088  0.3115
  o =  0.5830  v =  0.6824 -0.0603 -0.0054 -0.0959  0.0002 -0.0429  0.2359 -0.1669  0.0053  0.0545      0.0000  0.1492 -0.0023 -0.0912 -0.5731 -0.0737  0.0051 -0.1033  0.2388 -0.0314
  o =  0.5849  v =  0.2114  0.2486  0.0015  0.4011  0.0001 -0.0071  0.0707  0.5902 -0.0028  0.0075      0.0000 -0.3945  0.0023  0.2439 -0.1600 -0.0108 -0.0021  0.3655  0.0692 -0.0051
  o =  0.6217  v =  0.0066  0.0079 -0.6899  0.0287  0.0004  0.0415  0.2040  0.0036 -0.2723  0.0618      0.0000  0.0316 -0.5211 -0.0147  0.0028  0.1083 -0.2720  0.0033 -0.2069 -0.0236
  o =  0.6245  v = -0.0891 -0.1354 -0.1042 -0.2272  0.0002 -0.3940  0.0504  0.0127 -0.0494 -0.4268      0.0000 -0.2145 -0.0535  0.1292 -0.0545 -0.6575 -0.0495  0.0065  0.0000  0.2556
  o =  0.6313  v = -0.6417 -0.0842  0.0087 -0.1306  0.0001  0.0368  0.2422  0.2281  0.0048  0.0566      0.0000  0.1863  0.0025 -0.1171 -0.5603  0.0626  0.0047  0.1450  0.2457 -0.0333
  o =  0.6331  v = -0.2550  0.2588 -0.0042  0.4068  0.0001  0.0102  0.1071 -0.5379 -0.0022  0.0140      0.0000 -0.3939 -0.0011  0.2498 -0.2361  0.0145 -0.0015 -0.3419  0.1045 -0.0093
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6073  0.0001 -0.0001  0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5581  0.0000 -0.0001 -0.0002      0.0000 -0.0000  0.0001  0.0446  0.0020
 -0.0001  0.0000  0.6096 -0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5581  0.0006     -0.0000 -0.0446 -0.0000  0.0000  0.0002
 -0.0000 -0.0002  0.0000  0.0006  0.5663     -0.0196 -0.0020 -0.0000 -0.0002 -0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0038 -0.0000  0.0001  0.0001     -0.0000  0.0003 -0.0164  0.0003 -0.0422
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0164 -0.0032 -0.0423      0.0097  0.0004  0.0000  0.0004  0.0001
  0.0000 -0.0000 -0.0001  0.0410 -0.0039      0.0001  0.0412 -0.0000 -0.0000  0.0002
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0038  0.0000  0.0001 -0.0000     -0.0000 -0.0003 -0.0167 -0.0004 -0.0412
 -0.0000 -0.0000 -0.0002  0.0164 -0.0001     -0.0000  0.0164 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0032  0.0410      0.0096 -0.0003  0.0000 -0.0004  0.0000
  0.0000  0.0001 -0.0001 -0.0423 -0.0039     -0.0001  0.0422  0.0000 -0.0001 -0.0002
 
spin component  4
 
  0.6066 -0.0001 -0.0001 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5463 -0.0000 -0.0002  0.0002      0.0000 -0.0000  0.0001 -0.0389  0.0018
 -0.0001 -0.0000  0.6090  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5463 -0.0006     -0.0000  0.0389 -0.0000 -0.0000  0.0001
  0.0000  0.0002 -0.0000 -0.0006  0.5552      0.0194 -0.0018  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4699  v = -0.0083 -0.1673  0.0001 -0.0144  0.0021 -0.0014 -0.5792 -0.0003  0.0015  0.0143      0.0000 -0.0124 -0.0006  0.1451 -0.5085 -0.0002 -0.0031 -0.0025 -0.5735 -0.1655
  o =  0.4728  v =  0.0040 -0.5518  0.0005 -0.0456  0.0001  0.0004  0.1581  0.0000 -0.0019  0.0451      0.0000 -0.0455 -0.0026  0.5580  0.1382  0.0000 -0.0019  0.0006  0.1815 -0.5485
  o =  0.5704  v = -0.0399 -0.1133  0.1189 -0.0116  0.0017  0.1830 -0.5786  0.0028 -0.1429 -0.0314      0.0000 -0.0153 -0.4615  0.0997  0.0538  0.0239 -0.1421 -0.0080  0.5268  0.2392
  o =  0.5768  v =  0.2516  0.3514  0.0274  0.0132  0.0006 -0.5185 -0.0690  0.0115 -0.0260  0.0008      0.0000 -0.0117 -0.1930 -0.1899 -0.2777 -0.0004 -0.0264  0.0814  0.3156 -0.5295
  o =  0.5804  v = -0.3970 -0.2676  0.0036 -0.0420  0.0002 -0.2595 -0.1991 -0.0513 -0.0044  0.0029      0.0000  0.0447 -0.0527 -0.4916  0.3868 -0.0051 -0.0050 -0.4436 -0.1128 -0.2315
  o =  0.5837  v = -0.4890  0.4125 -0.0051  0.0426 -0.0002 -0.1532 -0.1974  0.0559  0.0031  0.0016      0.0000 -0.0425 -0.0186  0.3032  0.4044  0.0002  0.0034  0.4743 -0.1633 -0.1187
  o =  0.6230  v =  0.0983 -0.1156 -0.1535 -0.0033 -0.0018 -0.3660 -0.3337 -0.0054 -0.0621 -0.0167      0.0000 -0.0121  0.7503  0.0858  0.0523 -0.0289 -0.0638  0.0245  0.2838  0.2115
  o =  0.6257  v = -0.3109  0.2537 -0.0472  0.0104 -0.0003  0.6165 -0.0891 -0.0215 -0.0233 -0.0001      0.0000 -0.0101  0.3718 -0.1537 -0.1991  0.0004 -0.0240 -0.1025  0.2724 -0.4009
  o =  0.6284  v =  0.4306 -0.2288 -0.0136 -0.0329  0.0000  0.2623 -0.1770  0.0603 -0.0059  0.0053      0.0000  0.0382  0.0584 -0.4239  0.3291  0.0053 -0.0063  0.5596 -0.1051 -0.2001
  o =  0.6316  v =  0.4966  0.3869  0.0062  0.0366 -0.0000  0.1500 -0.2124 -0.0563  0.0041 -0.0007      0.0000 -0.0383  0.0339  0.2619  0.4224 -0.0005  0.0043 -0.4838 -0.1742 -0.1321
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069  0.0001 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0001  0.5516 -0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0001  0.0412  0.0024
 -0.0001 -0.0000  0.6093 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5516  0.0006     -0.0000 -0.0412 -0.0000  0.0000  0.0008
  0.0000 -0.0001 -0.0000  0.0006  0.5603     -0.0195 -0.0024 -0.0000 -0.0008  0.0000
 
spin component  2
 
 -0.0002  0.0096 -0.0000 -0.0000  0.0001      0.0001  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0054 -0.0000 -0.0003  0.0001     -0.0000  0.0014 -0.0166  0.0004 -0.0417
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0166 -0.0043 -0.0415      0.0096  0.0004  0.0000  0.0016  0.0001
  0.0000 -0.0000 -0.0001  0.0419 -0.0054      0.0001  0.0418 -0.0000 -0.0000  0.0019
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0054  0.0000 -0.0003 -0.0000     -0.0000 -0.0014 -0.0165 -0.0004 -0.0418
 -0.0000 -0.0000 -0.0003  0.0166 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0043  0.0419      0.0097 -0.0004  0.0000 -0.0016  0.0000
  0.0001  0.0001 -0.0001 -0.0415 -0.0054     -0.0001  0.0417  0.0000 -0.0001 -0.0019
 
spin component  4
 
  0.6070 -0.0001 -0.0001 -0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5528  0.0000 -0.0001  0.0001      0.0000  0.0000  0.0001 -0.0422  0.0025
 -0.0001  0.0000  0.6093  0.0001  0.0000     -0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0001  0.5528 -0.0006     -0.0000  0.0422 -0.0000 -0.0000  0.0008
 -0.0000  0.0001  0.0000 -0.0006  0.5612      0.0196 -0.0025  0.0000 -0.0008 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4703  v = -0.0014 -0.4156  0.0018 -0.1595  0.0171  0.0021 -0.4030 -0.0007  0.0092  0.1485      0.0000 -0.1528 -0.0024  0.3931 -0.3791  0.0009 -0.0255 -0.0025 -0.3823 -0.3854
  o =  0.4726  v =  0.0050 -0.3692  0.0016 -0.1196  0.0048  0.0048  0.4296  0.0008 -0.0020  0.1113      0.0000 -0.1271 -0.0022  0.3950  0.4001  0.0015 -0.0118  0.0030  0.4492 -0.3438
  o =  0.5733  v = -0.3236 -0.4759  0.1107 -0.1451  0.0005  0.2457 -0.3352 -0.0843 -0.1238 -0.1119      0.0000  0.0437 -0.1483 -0.2022  0.3927  0.0915 -0.1232 -0.3105 -0.0154  0.2975
  o =  0.5760  v = -0.0735 -0.1958 -0.1906 -0.1313 -0.0000 -0.2521  0.3131 -0.1546  0.1917  0.0521      0.0000  0.1737  0.3338 -0.4292  0.0876 -0.0467  0.1871 -0.3075 -0.3630 -0.2842
  o =  0.5793  v =  0.3581 -0.1383  0.2109 -0.0562  0.0013 -0.2336 -0.0830 -0.0939 -0.1911  0.0546      0.0000  0.1173 -0.2833 -0.3710 -0.3398 -0.0599 -0.1907 -0.2835  0.4235 -0.2203
  o =  0.5830  v = -0.4312  0.2947  0.1196  0.0908  0.0008 -0.4638 -0.3087  0.0401 -0.0948  0.1296      0.0000  0.0281 -0.1849 -0.0583  0.3550 -0.1561 -0.0939  0.1485 -0.0159 -0.3833
  o =  0.6239  v =  0.4792 -0.3039 -0.1519 -0.0775 -0.0007 -0.3880 -0.2477  0.1024 -0.0649 -0.0728      0.0000  0.0085  0.2504 -0.0891  0.2843 -0.1258 -0.0648  0.4398 -0.0177  0.2277
  o =  0.6256  v = -0.1294  0.0951 -0.1285  0.1858 -0.0048 -0.3162 -0.2126 -0.3362 -0.0686  0.0373      0.0000 -0.1510  0.5095  0.2823 -0.0931  0.0589 -0.0662 -0.3910  0.2859  0.2137
  o =  0.6277  v = -0.3900 -0.1125 -0.2805 -0.0704  0.0002  0.2601 -0.0719  0.1609 -0.1526  0.0263      0.0000  0.1012  0.3752 -0.2981 -0.2753  0.0397 -0.1540  0.3683  0.3470 -0.1787
  o =  0.6311  v =  0.4210  0.2932 -0.1314  0.0872 -0.0004  0.4538 -0.3050 -0.0418 -0.0848  0.1271      0.0000  0.0316  0.2150 -0.0659  0.3567  0.1512 -0.0853 -0.1788 -0.0288 -0.3823
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6039 -0.0003 -0.0001 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0001  0.0199
 -0.0003  0.5502  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001  0.0406 -0.0048
 -0.0001  0.0000  0.6074  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5504 -0.0005      0.0001 -0.0406  0.0000 -0.0000 -0.0007
 -0.0000  0.0000  0.0000 -0.0005  0.5606     -0.0199  0.0048 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0004  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0098 -0.0003
 -0.0098  0.0090 -0.0000  0.0003  0.0000     -0.0000 -0.0011 -0.0168 -0.0007 -0.0435
  0.0000  0.0000  0.0005 -0.0166  0.0002     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0003  0.0168  0.0068 -0.0430      0.0098 -0.0007  0.0000 -0.0012  0.0000
 -0.0000  0.0001  0.0002  0.0444  0.0106     -0.0003  0.0443  0.0000  0.0001 -0.0017
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0098  0.0090  0.0000  0.0003  0.0001     -0.0000  0.0011 -0.0166  0.0007 -0.0443
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0003 -0.0166  0.0068  0.0444      0.0098  0.0007  0.0000  0.0012 -0.0001
 -0.0000  0.0000  0.0002 -0.0430  0.0106      0.0003  0.0435 -0.0000 -0.0000  0.0017
 
spin component  4
 
  0.6042  0.0003 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0001 -0.0200
  0.0003  0.5552 -0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0001 -0.0433 -0.0049
 -0.0001 -0.0000  0.6077 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5549  0.0005      0.0001  0.0433  0.0000  0.0000 -0.0007
  0.0000  0.0000 -0.0000  0.0005  0.5672      0.0200  0.0049  0.0000  0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4679  v =  0.0011  0.4818  0.0012  0.0506 -0.0243 -0.0033 -0.3662  0.0009 -0.0298 -0.0433      0.0000  0.0427 -0.0044 -0.4516 -0.3513 -0.0004  0.0191  0.0034 -0.3267  0.4377
  o =  0.4713  v = -0.0044 -0.3400 -0.0011 -0.0571 -0.0021  0.0072 -0.4553  0.0007  0.0028  0.0515      0.0000 -0.0629  0.0036  0.3831 -0.4351  0.0011  0.0069  0.0049 -0.4869 -0.3064
  o =  0.5698  v = -0.3403  0.5187  0.0336  0.0700  0.0002 -0.2148 -0.3128  0.0439 -0.0409  0.0409      0.0000 -0.0333 -0.1167  0.2738  0.4164 -0.0319 -0.0402  0.3469 -0.0573 -0.2654
  o =  0.5758  v =  0.0599  0.2096 -0.1870 -0.0694 -0.0035  0.3065  0.3514 -0.0182  0.1726 -0.1205      0.0000 -0.0263  0.3152  0.4629 -0.0465  0.1173  0.1810  0.3477 -0.2564  0.3178
  o =  0.5797  v = -0.4173 -0.1499 -0.1356 -0.0302 -0.0015 -0.1364  0.1581 -0.0415  0.1120  0.0055      0.0000  0.0442  0.4084 -0.2949  0.3377 -0.0103  0.1120 -0.2737 -0.5076 -0.1057
  o =  0.5858  v =  0.4363  0.2467 -0.0728  0.0373 -0.0006 -0.5919  0.2852  0.0196  0.0470  0.0566      0.0000  0.0127  0.2602 -0.0827 -0.2608 -0.0902  0.0463  0.1211 -0.0489 -0.3669
  o =  0.6212  v = -0.4976 -0.3139  0.0536 -0.0345  0.0009 -0.3491  0.2372  0.0577  0.0200 -0.0256      0.0000  0.0098 -0.2139 -0.1245 -0.2974 -0.0467  0.0200  0.5221  0.0419  0.2012
  o =  0.6250  v =  0.0540 -0.1515 -0.4202  0.2074  0.0087  0.2421 -0.1608 -0.2633 -0.2150  0.1829      0.0000 -0.0528  0.2716 -0.3047  0.0264  0.2437 -0.2243  0.4433  0.1133 -0.1786
  o =  0.6279  v =  0.3991 -0.1300  0.1628 -0.0348  0.0001  0.1665  0.1302  0.0702  0.0974  0.0032      0.0000  0.0436 -0.4727 -0.2724  0.3176  0.0070  0.0990  0.3247 -0.4551 -0.1190
  o =  0.6372  v =  0.3260 -0.3203 -0.0547 -0.0481 -0.0004 -0.4399 -0.3458  0.0155 -0.0469 -0.0763      0.0000 -0.0210  0.2020  0.1346  0.3727 -0.0674 -0.0473  0.1118 -0.0003  0.4969
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0001  0.5473  0.0000 -0.0002  0.0002     -0.0000  0.0000 -0.0000  0.0395 -0.0015
 -0.0001  0.0000  0.6072  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5474 -0.0006      0.0000 -0.0395  0.0000 -0.0000 -0.0007
  0.0000  0.0002 -0.0000 -0.0006  0.5582     -0.0198  0.0015 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0001  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0098 -0.0001
 -0.0098  0.0033 -0.0000  0.0001 -0.0000     -0.0000 -0.0012 -0.0169 -0.0004 -0.0431
  0.0000  0.0000  0.0002 -0.0165  0.0001     -0.0000  0.0165 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0028 -0.0430      0.0098 -0.0003  0.0000 -0.0014 -0.0000
 -0.0000 -0.0000  0.0001  0.0445  0.0034     -0.0001  0.0446  0.0000 -0.0000 -0.0014
 
spin component  3
 
  0.0001 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0033  0.0000  0.0001 -0.0000     -0.0000  0.0012 -0.0165  0.0003 -0.0446
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0165  0.0028  0.0445      0.0098  0.0004  0.0000  0.0014  0.0000
 -0.0000 -0.0000  0.0001 -0.0430  0.0034      0.0001  0.0431 -0.0000  0.0000  0.0014
 
spin component  4
 
  0.6043  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5581 -0.0000 -0.0001 -0.0003     -0.0000 -0.0000 -0.0000 -0.0446 -0.0016
 -0.0001 -0.0000  0.6077 -0.0001  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5581  0.0006      0.0000  0.0446  0.0000  0.0000 -0.0007
 -0.0000 -0.0003  0.0000  0.0006  0.5695      0.0201  0.0016  0.0000  0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4683  v = -0.0012 -0.5275 -0.0016 -0.2281 -0.0159  0.0074  0.1792 -0.0003 -0.0089  0.2009      0.0000 -0.2251  0.0015  0.5207  0.1791  0.0032  0.0230 -0.0007  0.1657 -0.4637
  o =  0.4711  v =  0.0008  0.1663  0.0004  0.0555 -0.0034 -0.0040  0.5511 -0.0009 -0.0051 -0.0479      0.0000  0.0632 -0.0005 -0.1856  0.5429 -0.0015  0.0016 -0.0022  0.5558  0.1453
  o =  0.5711  v =  0.1639 -0.5390 -0.0014 -0.2332 -0.0001  0.0236  0.0841 -0.2044  0.0038 -0.0149      0.0000  0.2202  0.0030 -0.5113 -0.1917  0.0112  0.0041 -0.4736  0.0815  0.0290
  o =  0.5778  v =  0.5895  0.0393 -0.0842  0.0200 -0.0004  0.2331  0.3349  0.0680  0.0749 -0.0893      0.0000 -0.0995  0.0848  0.2347 -0.5159  0.0948  0.0744  0.1526  0.1849  0.2201
  o =  0.5802  v =  0.2500  0.1302  0.3943  0.0537  0.0014 -0.2763 -0.2159  0.0147 -0.3163  0.0981      0.0000  0.0227 -0.3882 -0.0571 -0.1963 -0.1133 -0.3151  0.0457  0.4058 -0.2395
  o =  0.5834  v = -0.1833 -0.1997  0.2591 -0.0809  0.0008  0.5796 -0.2366 -0.0079 -0.1829 -0.1730      0.0000 -0.0707 -0.2553  0.1691  0.1248  0.2380 -0.1827 -0.0193  0.1234  0.4212
  o =  0.6225  v =  0.2578  0.3417 -0.0029  0.1450  0.0000  0.0495 -0.0863 -0.3129  0.0022  0.0110      0.0000 -0.1346  0.0097  0.3134  0.1697  0.0207  0.0021 -0.7323 -0.0714 -0.0296
  o =  0.6263  v =  0.6119 -0.0385 -0.1337 -0.0154 -0.0001  0.2623 -0.2972  0.0960 -0.0762  0.0856      0.0000  0.0935  0.1142 -0.2196  0.4646  0.1127 -0.0763  0.2332 -0.1688 -0.1979
  o =  0.6283  v =  0.2415 -0.1079  0.4845 -0.0520  0.0004 -0.1995  0.1801  0.0366  0.3037 -0.0807      0.0000 -0.0144 -0.4456  0.0343  0.2034 -0.0935  0.3045  0.0586 -0.3795  0.1732
  o =  0.6326  v = -0.1738  0.2488  0.2056  0.1011  0.0001  0.5240  0.2310 -0.0078  0.1525  0.2104      0.0000  0.0886 -0.2014 -0.2119 -0.1731  0.2158  0.1531 -0.0266 -0.0685 -0.5110
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6072  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5580  0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0001  0.0445  0.0019
 -0.0000  0.0000  0.6095 -0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5574  0.0007     -0.0000 -0.0445 -0.0000 -0.0000  0.0001
  0.0000 -0.0002  0.0000  0.0007  0.5663     -0.0197 -0.0019 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0097 -0.0039 -0.0000  0.0001 -0.0001     -0.0000  0.0003 -0.0164  0.0003 -0.0421
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0164 -0.0033 -0.0426      0.0097  0.0003 -0.0000  0.0003 -0.0000
  0.0000 -0.0001 -0.0001  0.0406 -0.0038      0.0001  0.0412 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0039  0.0000  0.0001 -0.0001     -0.0000 -0.0003 -0.0167 -0.0003 -0.0412
 -0.0000 -0.0000 -0.0002  0.0164 -0.0001     -0.0000  0.0164 -0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0033  0.0406      0.0096 -0.0003  0.0000 -0.0003  0.0001
 -0.0000 -0.0001 -0.0001 -0.0426 -0.0038     -0.0001  0.0421  0.0000  0.0000 -0.0001
 
spin component  4
 
  0.6066 -0.0001 -0.0000 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5464 -0.0000  0.0000  0.0002      0.0000 -0.0000  0.0001 -0.0388  0.0019
 -0.0000 -0.0000  0.6090  0.0001 -0.0000      0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5468 -0.0006     -0.0000  0.0388 -0.0000  0.0000  0.0001
 -0.0000  0.0002 -0.0000 -0.0006  0.5550      0.0194 -0.0019  0.0000 -0.0001  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4701  v = -0.0082 -0.1793  0.0001 -0.0061 -0.0029 -0.0013 -0.5758 -0.0002 -0.0036  0.0060      0.0000 -0.0044 -0.0007  0.1571 -0.5065 -0.0002  0.0025 -0.0024 -0.5689 -0.1768
  o =  0.4728  v =  0.0043 -0.5495  0.0003 -0.0293 -0.0026  0.0005  0.1696  0.0001 -0.0041  0.0288      0.0000 -0.0295 -0.0027  0.5565  0.1483  0.0001  0.0013  0.0007  0.1935 -0.5454
  o =  0.5704  v = -0.0510 -0.1243  0.0042  0.0093  0.0007  0.2004 -0.5943  0.0006 -0.0057  0.0196      0.0000  0.0085 -0.4705  0.1100  0.0680 -0.0150 -0.0046 -0.0084  0.5303  0.2614
  o =  0.5768  v =  0.2248  0.3287  0.0279  0.0373  0.0001 -0.5240 -0.1038  0.0219 -0.0274  0.0307      0.0000 -0.0058 -0.2165 -0.2173 -0.2474 -0.0301 -0.0271  0.0557  0.3259 -0.5343
  o =  0.5800  v = -0.3916 -0.3096  0.0157 -0.0098  0.0000 -0.2150 -0.1848 -0.0246 -0.0146  0.0229      0.0000  0.0326 -0.0356 -0.4956  0.3869 -0.0258 -0.0143 -0.4646 -0.1279 -0.1951
  o =  0.5836  v = -0.5067  0.4023  0.0005  0.0236  0.0001 -0.1632 -0.2006  0.0354 -0.0004 -0.0054      0.0000 -0.0299 -0.0144  0.2859  0.4196  0.0074 -0.0006  0.4558 -0.1733 -0.1268
  o =  0.6229  v =  0.1125 -0.1223 -0.0235  0.0066 -0.0009 -0.3934 -0.3366 -0.0004 -0.0094  0.0121      0.0000  0.0050  0.7488  0.0936  0.0601  0.0206 -0.0099  0.0228  0.2795  0.2264
  o =  0.6257  v = -0.2722  0.2349 -0.0536  0.0297 -0.0004  0.6180 -0.1166 -0.0318 -0.0266  0.0264      0.0000 -0.0029  0.4031 -0.1741 -0.1737  0.0405 -0.0267 -0.0642  0.2780 -0.4028
  o =  0.6281  v = -0.4338  0.2591  0.0262  0.0081  0.0002 -0.2161  0.1620 -0.0317  0.0139 -0.0202      0.0000 -0.0283 -0.0327  0.4168 -0.3270 -0.0267  0.0139 -0.5874  0.1190  0.1637
  o =  0.6316  v = -0.5116 -0.3780  0.0004 -0.0218 -0.0002 -0.1562  0.2150  0.0371  0.0004  0.0053      0.0000  0.0277 -0.0289 -0.2482 -0.4349  0.0063  0.0003  0.4668  0.1832  0.1377
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0195
  0.0001  0.5515 -0.0000 -0.0001 -0.0000      0.0000  0.0000  0.0001  0.0411  0.0025
 -0.0000 -0.0000  0.6092 -0.0001 -0.0000      0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5519  0.0005     -0.0000 -0.0411 -0.0000  0.0000  0.0007
 -0.0000 -0.0000 -0.0000  0.0005  0.5600     -0.0195 -0.0025 -0.0000 -0.0007  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0054  0.0000 -0.0003 -0.0000      0.0000  0.0013 -0.0166  0.0004 -0.0417
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
 -0.0000 -0.0003  0.0166 -0.0043 -0.0411      0.0096  0.0004  0.0000  0.0014 -0.0000
  0.0000 -0.0000 -0.0001  0.0420 -0.0056      0.0001  0.0415 -0.0000 -0.0000  0.0017
 
spin component  3
 
 -0.0002 -0.0097 -0.0000 -0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0096 -0.0001
  0.0097 -0.0054  0.0000 -0.0003 -0.0000     -0.0000 -0.0013 -0.0165 -0.0004 -0.0415
 -0.0000  0.0000 -0.0003  0.0166 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0043  0.0420      0.0097 -0.0004  0.0000 -0.0014  0.0000
  0.0000 -0.0000 -0.0001 -0.0411 -0.0056     -0.0001  0.0417  0.0000  0.0000 -0.0017
 
spin component  4
 
  0.6069 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000  0.0000  0.0000 -0.0196
 -0.0001  0.5527  0.0000 -0.0000  0.0000      0.0000 -0.0000  0.0001 -0.0420  0.0025
 -0.0000  0.0000  0.6093  0.0001  0.0000     -0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5523 -0.0006     -0.0000  0.0420 -0.0000 -0.0000  0.0007
  0.0000  0.0000  0.0000 -0.0006  0.5611      0.0196 -0.0025  0.0000 -0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4704  v = -0.0016 -0.4132  0.0015 -0.1252  0.0042  0.0019 -0.4181 -0.0007 -0.0027  0.1165      0.0000 -0.1186 -0.0024  0.3898 -0.3921  0.0006 -0.0112 -0.0026 -0.3970 -0.3842
  o =  0.4727  v =  0.0048 -0.3858  0.0015 -0.1141 -0.0011  0.0049  0.4157  0.0008 -0.0077  0.1063      0.0000 -0.1210 -0.0023  0.4113  0.3872  0.0014 -0.0054  0.0030  0.4368 -0.3597
  o =  0.5731  v = -0.3252 -0.4846  0.0973 -0.1204 -0.0003  0.2554 -0.3368 -0.0681 -0.1086 -0.0960      0.0000  0.0325 -0.1475 -0.1987  0.3967  0.0786 -0.1080 -0.3120 -0.0176  0.3097
  o =  0.5760  v = -0.1000 -0.1815 -0.1653 -0.1272  0.0011 -0.2320  0.3453 -0.1412  0.1660  0.0315      0.0000  0.1519  0.3806 -0.3931  0.1165 -0.0279  0.1622 -0.2821 -0.4242 -0.2634
  o =  0.5790  v =  0.3473 -0.1747  0.1784 -0.0506  0.0003 -0.2438 -0.0621 -0.0865 -0.1636  0.0557      0.0000  0.1112 -0.2565 -0.4174 -0.3328 -0.0594 -0.1637 -0.3265  0.3990 -0.2337
  o =  0.5830  v = -0.4284  0.2888  0.1108  0.0853 -0.0000 -0.4716 -0.3161  0.0403 -0.0867  0.1190      0.0000  0.0239 -0.1962 -0.0714  0.3535 -0.1434 -0.0863  0.1368 -0.0059 -0.3898
  o =  0.6237  v =  0.4857 -0.3079 -0.1281 -0.0664 -0.0006 -0.3961 -0.2452  0.0872 -0.0551 -0.0621      0.0000  0.0071  0.2433 -0.0897  0.2866 -0.1075 -0.0547  0.4464 -0.0222  0.2306
  o =  0.6256  v =  0.1564 -0.0963  0.1300 -0.1532  0.0036  0.2942  0.2296  0.2764  0.0686 -0.0301      0.0000  0.1247 -0.5599 -0.2687  0.1098 -0.0471  0.0664  0.3780 -0.3195 -0.1994
  o =  0.6274  v = -0.3813 -0.1416 -0.2468 -0.0633  0.0005  0.2737 -0.0553  0.1510 -0.1326  0.0295      0.0000  0.0964  0.3396 -0.3335 -0.2650  0.0449 -0.1332  0.4312  0.3220 -0.1869
  o =  0.6310  v =  0.4175  0.2884 -0.1235  0.0831 -0.0003  0.4627 -0.3100 -0.0408 -0.0804  0.1182      0.0000  0.0277  0.2251 -0.0779  0.3539  0.1405 -0.0806 -0.1658 -0.0202 -0.3889
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0003 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0003  0.5503  0.0000 -0.0003  0.0001     -0.0000 -0.0000 -0.0001  0.0409 -0.0045
 -0.0001  0.0000  0.6071  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5500 -0.0005      0.0001 -0.0409  0.0000 -0.0000 -0.0007
  0.0000  0.0001  0.0000 -0.0005  0.5603     -0.0199  0.0045 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0004  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0098 -0.0003
 -0.0098  0.0085 -0.0000  0.0002  0.0001     -0.0000 -0.0011 -0.0168 -0.0007 -0.0434
  0.0000  0.0000  0.0005 -0.0167  0.0002     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0168  0.0065 -0.0436      0.0098 -0.0006  0.0000 -0.0013  0.0001
 -0.0000 -0.0003  0.0002  0.0444  0.0098     -0.0003  0.0447  0.0000 -0.0002 -0.0016
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0098  0.0085  0.0000  0.0002 -0.0003     -0.0000  0.0011 -0.0166  0.0006 -0.0447
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0065  0.0444      0.0098  0.0007  0.0000  0.0013  0.0002
 -0.0000  0.0001  0.0002 -0.0436  0.0098      0.0003  0.0434 -0.0000 -0.0001  0.0016
 
spin component  4
 
  0.6041  0.0002 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0001 -0.0200
  0.0002  0.5560 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0001 -0.0440 -0.0046
 -0.0001 -0.0000  0.6074 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5562  0.0005      0.0001  0.0440  0.0000  0.0000 -0.0007
 -0.0000 -0.0000 -0.0000  0.0005  0.5674      0.0200  0.0046  0.0000  0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4676  v =  0.0014  0.4939  0.0014  0.0751 -0.0115 -0.0039 -0.3445  0.0006 -0.0179 -0.0665      0.0000  0.0693 -0.0043 -0.4666 -0.3326 -0.0007  0.0052  0.0031 -0.3067  0.4468
  o =  0.4710  v = -0.0038 -0.3194 -0.0010 -0.0547 -0.0066  0.0070 -0.4708  0.0008 -0.0025  0.0496      0.0000 -0.0615  0.0032  0.3618 -0.4533  0.0011  0.0112  0.0048 -0.4987 -0.2862
  o =  0.5705  v = -0.3427  0.5189  0.0300  0.0986  0.0013 -0.1954 -0.2934  0.0663 -0.0361  0.0509      0.0000 -0.0522 -0.1053  0.3002  0.4087 -0.0408 -0.0370  0.3676 -0.0704 -0.2368
  o =  0.5761  v =  0.1233  0.1809 -0.1007  0.0611 -0.0008  0.3551  0.3742  0.0851  0.0938 -0.0372      0.0000 -0.0913  0.3163  0.4762 -0.1056  0.0380  0.0903  0.3466 -0.2218  0.3597
  o =  0.5802  v = -0.4278 -0.1350 -0.1407 -0.0375 -0.0027 -0.0787  0.1845 -0.0467  0.1121 -0.0024      0.0000  0.0433  0.4502 -0.2335  0.3367 -0.0007  0.1117 -0.2355 -0.5283 -0.0549
  o =  0.5855  v =  0.4140  0.2487 -0.0822  0.0282 -0.0016 -0.5952  0.2903  0.0055  0.0534  0.0544      0.0000  0.0203  0.2771 -0.0870 -0.2489 -0.0860  0.0531  0.1192 -0.0636 -0.3737
  o =  0.6215  v =  0.4912  0.3234 -0.0499  0.0507 -0.0005  0.3187 -0.2319 -0.0872 -0.0180  0.0316      0.0000 -0.0203  0.1908  0.1472  0.3006  0.0571 -0.0186 -0.5429 -0.0505 -0.1874
  o =  0.6251  v =  0.1105 -0.1527 -0.2084  0.0166  0.0004  0.3640 -0.2546  0.0174 -0.1124  0.0712      0.0000  0.0441  0.3985 -0.3877  0.0648  0.0927 -0.1153  0.5182  0.1634 -0.2703
  o =  0.6284  v =  0.3978 -0.1175  0.1585 -0.0423  0.0005  0.1198  0.1584  0.0737  0.0983 -0.0042      0.0000  0.0435 -0.5076 -0.2274  0.3263 -0.0026  0.1010  0.2682 -0.4895 -0.0834
  o =  0.6367  v = -0.3181  0.3215  0.0596  0.0367  0.0000  0.4476  0.3465 -0.0049  0.0500  0.0722      0.0000  0.0285 -0.2105 -0.1359 -0.3594  0.0647  0.0511 -0.1125 -0.0111 -0.5001
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0001  0.5488  0.0000 -0.0003  0.0002     -0.0000  0.0000 -0.0001  0.0406 -0.0019
 -0.0001  0.0000  0.6071  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5493 -0.0007      0.0000 -0.0406  0.0000 -0.0000 -0.0005
 -0.0000  0.0002  0.0000 -0.0007  0.5592     -0.0198  0.0019 -0.0000  0.0005 -0.0000
 
spin component  2
 
  0.0002  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0041 -0.0000  0.0001  0.0001     -0.0000 -0.0009 -0.0169 -0.0004 -0.0437
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0000  0.0169  0.0034 -0.0431      0.0098 -0.0003  0.0000 -0.0010  0.0001
 -0.0000 -0.0003  0.0001  0.0449  0.0043     -0.0001  0.0445  0.0000 -0.0003 -0.0010
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0041  0.0000  0.0000 -0.0003     -0.0000  0.0009 -0.0166  0.0003 -0.0445
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0034  0.0449      0.0099  0.0004  0.0000  0.0010  0.0003
 -0.0000  0.0001  0.0001 -0.0431  0.0043      0.0001  0.0437 -0.0000 -0.0001  0.0010
 
spin component  4
 
  0.6042  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0200
  0.0001  0.5575 -0.0000 -0.0002 -0.0003     -0.0000 -0.0000 -0.0001 -0.0445 -0.0020
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5570  0.0007      0.0000  0.0445  0.0000  0.0000 -0.0005
  0.0000 -0.0003 -0.0000  0.0007  0.5685      0.0200  0.0020  0.0000  0.0005  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4680  v =  0.0011  0.5380  0.0011  0.1222  0.0018 -0.0066 -0.2398  0.0003 -0.0033 -0.1089      0.0000  0.1195 -0.0022 -0.5280 -0.2350 -0.0014 -0.0068  0.0011 -0.2196  0.4792
  o =  0.4707  v = -0.0018 -0.2254 -0.0005 -0.0544  0.0099  0.0048 -0.5300  0.0006  0.0120  0.0475      0.0000 -0.0592  0.0010  0.2481 -0.5168  0.0012 -0.0084  0.0025 -0.5392 -0.1999
  o =  0.5725  v = -0.2270  0.5572  0.0072  0.1501  0.0001 -0.0660 -0.1207  0.1323 -0.0096  0.0225      0.0000 -0.1298 -0.0123  0.4863  0.2527 -0.0174 -0.0102  0.4947 -0.1012 -0.0752
  o =  0.5782  v = -0.4818 -0.0609  0.1560 -0.0105  0.0008 -0.3175 -0.3616 -0.0590 -0.1356  0.0910      0.0000  0.0878 -0.1734 -0.3194  0.4164 -0.0985 -0.1353 -0.2164 -0.0608 -0.2938
  o =  0.5797  v = -0.3710 -0.1319 -0.2987 -0.0621 -0.0022  0.1650  0.2010 -0.0286  0.2415 -0.0910      0.0000 -0.0085  0.4276 -0.0274  0.2995  0.1026  0.2417 -0.0984 -0.4928  0.1481
  o =  0.5834  v =  0.2412  0.2156 -0.1255  0.0305 -0.0015 -0.6179  0.2975 -0.0001  0.0881  0.0669      0.0000  0.0286  0.3196 -0.1772 -0.1640 -0.0933  0.0885  0.0238 -0.1485 -0.4424
  o =  0.6230  v = -0.3231 -0.3718  0.0127 -0.0974  0.0001 -0.1094  0.1185  0.1925  0.0027 -0.0158      0.0000  0.0824 -0.0277 -0.3064 -0.2173 -0.0284  0.0031  0.7233  0.0836  0.0689
  o =  0.6266  v = -0.4736  0.0517  0.2438 -0.0005  0.0004 -0.3360  0.3169 -0.0650  0.1413 -0.0913      0.0000 -0.0801 -0.2338  0.2881 -0.3617 -0.1153  0.1422 -0.2992  0.0478  0.2599
  o =  0.6279  v = -0.3792  0.1116 -0.3656  0.0654 -0.0005  0.0883 -0.1432 -0.0592 -0.2256  0.0794      0.0000  0.0001  0.4781  0.0547 -0.3121  0.0933 -0.2280 -0.1337  0.4503 -0.0812
  o =  0.6328  v = -0.2191  0.2653  0.1042  0.0390  0.0001  0.5416  0.2988 -0.0000  0.0773  0.0867      0.0000  0.0397 -0.2596 -0.2202 -0.2196  0.0879  0.0788 -0.0326 -0.0930 -0.5328
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6052 -0.0000 -0.0001  0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0197
 -0.0000  0.5478 -0.0000 -0.0003 -0.0002      0.0000  0.0000 -0.0000  0.0395 -0.0006
 -0.0001 -0.0000  0.6075  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001 -0.0003  0.0000  0.5477 -0.0000      0.0000 -0.0395 -0.0000 -0.0000  0.0007
 -0.0000 -0.0002  0.0000 -0.0000  0.5554     -0.0197  0.0006 -0.0000 -0.0007 -0.0000
 
spin component  2
 
  0.0001  0.0098 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0098 -0.0000
 -0.0097  0.0012 -0.0000 -0.0000  0.0001     -0.0000  0.0012 -0.0169 -0.0002 -0.0419
 -0.0000  0.0000  0.0001 -0.0166 -0.0000     -0.0000  0.0166  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0169  0.0009 -0.0420      0.0097 -0.0001  0.0000  0.0015  0.0001
  0.0000 -0.0001 -0.0000  0.0432  0.0014     -0.0000  0.0433 -0.0000 -0.0001  0.0015
 
spin component  3
 
  0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0098  0.0012  0.0000 -0.0000 -0.0001     -0.0000 -0.0012 -0.0166  0.0001 -0.0433
 -0.0000 -0.0000  0.0001  0.0169 -0.0000      0.0000  0.0169 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0166  0.0009  0.0432      0.0098  0.0002  0.0000 -0.0015  0.0001
  0.0000  0.0001 -0.0000 -0.0420  0.0014      0.0000  0.0419  0.0000 -0.0001 -0.0015
 
spin component  4
 
  0.6058  0.0000 -0.0001 -0.0001  0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0199
  0.0000  0.5578  0.0000 -0.0003  0.0003      0.0000 -0.0000 -0.0000 -0.0441 -0.0006
 -0.0001  0.0000  0.6080 -0.0000 -0.0000      0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0003 -0.0000  0.5580  0.0000      0.0000  0.0441 -0.0000  0.0000  0.0007
  0.0000  0.0003 -0.0000  0.0000  0.5664      0.0199  0.0006  0.0000 -0.0007  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4695  v =  0.0009  0.3391 -0.0012 -0.4827 -0.0216 -0.0044 -0.0899 -0.0001 -0.0161  0.4308      0.0000 -0.4825  0.0004 -0.3387 -0.0967  0.0063  0.0266  0.0001 -0.0924  0.3024
  o =  0.4717  v = -0.0009  0.0706 -0.0004 -0.0634  0.0021 -0.0015  0.5693  0.0011  0.0036  0.0558      0.0000 -0.0723 -0.0000 -0.0783  0.5699  0.0016 -0.0004 -0.0008  0.5689  0.0628
  o =  0.5718  v = -0.1102  0.3355  0.0071 -0.4814 -0.0003 -0.0008 -0.0561 -0.4364 -0.0069 -0.0086      0.0000  0.4718  0.0031  0.3347  0.1306  0.0086 -0.0059  0.3068 -0.0622  0.0014
  o =  0.5770  v = -0.6180 -0.0079 -0.0249  0.0414 -0.0001 -0.1102 -0.3078  0.0929  0.0202 -0.0978      0.0000 -0.1320 -0.0097 -0.1107  0.5913  0.0950  0.0196 -0.0630 -0.2905 -0.1138
  o =  0.5802  v =  0.1063  0.1306 -0.5462 -0.0939  0.0002 -0.2972  0.0506 -0.0147  0.4432 -0.1946      0.0000 -0.0697  0.0077 -0.0989 -0.0923  0.2137  0.4419  0.0184  0.0376 -0.2706
  o =  0.5820  v = -0.1269 -0.1586 -0.3745  0.1566 -0.0004  0.4121  0.0002  0.0110  0.2822  0.3401      0.0000  0.1449  0.0616  0.1454  0.0965 -0.4083  0.2827 -0.0116 -0.0925  0.3437
  o =  0.6232  v = -0.2005 -0.2084  0.0146  0.3145  0.0003 -0.0062  0.0566 -0.6769  0.0093  0.0109      0.0000 -0.3032  0.0061 -0.2023 -0.1257  0.0166  0.0086  0.4500  0.0636  0.0054
  o =  0.6256  v = -0.7158  0.0149 -0.0268 -0.0503  0.0000 -0.1346  0.2569  0.1675 -0.0175  0.0791      0.0000  0.1249 -0.0131  0.0994 -0.4966  0.1180 -0.0170 -0.1089  0.2425  0.0909
  o =  0.6284  v = -0.0975  0.1130  0.6588 -0.0795  0.0007  0.2773  0.0471  0.0220  0.4074 -0.1529      0.0000 -0.0546 -0.0162 -0.0823 -0.0763 -0.1917  0.4071 -0.0272  0.0266 -0.2206
  o =  0.6303  v = -0.1281  0.1736 -0.3422 -0.1726  0.0000  0.4281  0.0105  0.0108 -0.2306 -0.3594      0.0000 -0.1554  0.0654 -0.1582 -0.1122 -0.4230 -0.2311 -0.0082  0.0982 -0.3641
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054  0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0195
  0.0001  0.5443 -0.0000 -0.0001  0.0000     -0.0000 -0.0000  0.0001  0.0376  0.0020
 -0.0001 -0.0000  0.6078 -0.0001  0.0000     -0.0000 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5444  0.0002     -0.0000 -0.0376  0.0000 -0.0000  0.0001
  0.0000  0.0000  0.0000  0.0002  0.5519     -0.0195 -0.0020 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0098 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0098  0.0001
 -0.0097 -0.0037 -0.0000 -0.0001  0.0002     -0.0000  0.0002 -0.0170  0.0005 -0.0417
  0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0030 -0.0413      0.0097  0.0004  0.0000  0.0001  0.0002
  0.0000 -0.0000 -0.0000  0.0440 -0.0043      0.0001  0.0437  0.0000 -0.0000  0.0003
 
spin component  3
 
 -0.0002 -0.0097  0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0098 -0.0037  0.0000 -0.0001 -0.0000     -0.0000 -0.0002 -0.0164 -0.0004 -0.0437
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0170 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0030  0.0440      0.0098 -0.0005  0.0000 -0.0001  0.0000
  0.0000  0.0002 -0.0000 -0.0413 -0.0043     -0.0001  0.0417 -0.0000 -0.0002 -0.0003
 
spin component  4
 
  0.6064 -0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0199
 -0.0001  0.5620  0.0000 -0.0004 -0.0000     -0.0000  0.0000  0.0000 -0.0470  0.0022
 -0.0001  0.0000  0.6087  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5615 -0.0003     -0.0000  0.0470  0.0000 -0.0000  0.0001
 -0.0000 -0.0000  0.0000 -0.0003  0.5702      0.0199 -0.0022  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4686  v = -0.0019  0.5897 -0.0003  0.0542  0.0118 -0.0098  0.1246  0.0002  0.0131 -0.0457      0.0000  0.0524  0.0022 -0.5855  0.1281 -0.0010 -0.0100  0.0004  0.1043  0.5083
  o =  0.4718  v =  0.0030  0.1145 -0.0000  0.0270  0.0160 -0.0037 -0.5556  0.0000  0.0158 -0.0223      0.0000  0.0273  0.0006 -0.1370 -0.5768 -0.0006 -0.0158 -0.0024 -0.5608  0.0971
  o =  0.5678  v =  0.1503  0.6069 -0.0031  0.0243 -0.0003 -0.0282  0.0942  0.0187  0.0051  0.0037      0.0000 -0.0223  0.0044  0.5693 -0.2011 -0.0005  0.0045  0.4728  0.0903 -0.0396
  o =  0.5755  v =  0.5718 -0.0828 -0.0132  0.0014 -0.0002 -0.1642  0.3257 -0.0067  0.0148  0.0168      0.0000  0.0133  0.0211 -0.2478 -0.5731 -0.0161  0.0150 -0.1649  0.2835 -0.1841
  o =  0.5824  v =  0.1793 -0.1955  0.0694 -0.0299  0.0016  0.5268 -0.2450  0.0018 -0.0514 -0.0701      0.0000 -0.0275 -0.4142  0.1719 -0.1363  0.0811 -0.0515 -0.0185  0.3769  0.4547
  o =  0.5854  v = -0.1126  0.1527 -0.0117 -0.0044  0.0025 -0.4519 -0.4153  0.0014  0.0067 -0.0148      0.0000 -0.0090 -0.5769 -0.1386  0.0731  0.0199  0.0077  0.0049  0.3456 -0.3310
  o =  0.6217  v =  0.3242 -0.3341 -0.0090 -0.0065  0.0001 -0.0728 -0.0981  0.0170 -0.0030 -0.0005      0.0000  0.0063  0.0072 -0.2988  0.1843 -0.0055 -0.0024  0.7978 -0.0823  0.0370
  o =  0.6246  v = -0.6828 -0.0992  0.0205  0.0017 -0.0000  0.2105  0.2407  0.0059  0.0086  0.0112      0.0000  0.0087 -0.0248 -0.2201 -0.4415  0.0166  0.0088  0.3335  0.2202 -0.1301
  o =  0.6305  v =  0.1508  0.1868  0.0705  0.0260  0.0010  0.4799  0.2697 -0.0019  0.0467  0.0612      0.0000  0.0269 -0.4970 -0.1639  0.1320  0.0718  0.0489 -0.0139 -0.3987 -0.4111
  o =  0.6341  v = -0.1074 -0.2007 -0.0049  0.0024  0.0008 -0.4446  0.4270  0.0028 -0.0050  0.0069      0.0000  0.0044 -0.4867  0.1833 -0.1066  0.0071 -0.0028  0.0160 -0.3236  0.4256
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6058 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5578  0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0443 -0.0002
 -0.0001  0.0000  0.6081  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5577 -0.0001      0.0000 -0.0443  0.0000 -0.0000 -0.0002
 -0.0000 -0.0000  0.0000 -0.0001  0.5659     -0.0198  0.0002 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0006 -0.0000  0.0001  0.0001     -0.0000 -0.0004 -0.0166 -0.0000 -0.0434
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0166  0.0005 -0.0435      0.0097  0.0000  0.0000 -0.0004  0.0001
 -0.0000 -0.0002  0.0000  0.0425  0.0004     -0.0000  0.0427  0.0000 -0.0002 -0.0006
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0098  0.0006  0.0000  0.0001 -0.0002     -0.0000  0.0004 -0.0168 -0.0000 -0.0427
  0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0166  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0168  0.0005  0.0425      0.0097  0.0000  0.0000  0.0004  0.0002
 -0.0000  0.0001  0.0000 -0.0435  0.0004      0.0000  0.0434 -0.0000 -0.0001  0.0006
 
spin component  4
 
  0.6052  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0197
  0.0000  0.5480 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0000 -0.0404 -0.0002
 -0.0001 -0.0000  0.6076 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5481  0.0001      0.0000  0.0404  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0001  0.5560      0.0197  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4688  v = -0.0078  0.0319  0.0002  0.0405  0.0033  0.0002 -0.5957  0.0002  0.0028 -0.0405      0.0000  0.0377 -0.0000 -0.0283 -0.5317  0.0002 -0.0044  0.0004 -0.5957  0.0315
  o =  0.4708  v =  0.0009  0.3861  0.0005  0.4271  0.0034  0.0004  0.0521 -0.0000  0.0013 -0.4268      0.0000  0.4266 -0.0001 -0.3852  0.0446  0.0005 -0.0059  0.0001  0.0525  0.3854
  o =  0.5728  v = -0.0058  0.0269  0.4509  0.0089  0.0020 -0.0441 -0.3421  0.0001 -0.4804  0.0174      0.0000  0.0069 -0.3178 -0.0185  0.0097 -0.0151 -0.4792  0.0037  0.3345 -0.0503
  o =  0.5776  v =  0.0663 -0.1648  0.0484 -0.2953  0.0000  0.3105  0.0348 -0.0292 -0.0441 -0.5353      0.0000 -0.2410  0.0055  0.1271 -0.0659  0.5707 -0.0433 -0.0184  0.0251  0.2911
  o =  0.5807  v = -0.3611  0.3577 -0.0022  0.2304 -0.0001  0.0243 -0.1331  0.3227 -0.0004 -0.0550      0.0000 -0.2853  0.0068  0.3762  0.3207  0.0689 -0.0002  0.4598 -0.1444  0.0185
  o =  0.5813  v =  0.5948  0.2359  0.0032  0.1728  0.0002 -0.0270  0.2249  0.2053 -0.0008  0.0277      0.0000 -0.1470 -0.0008  0.2152 -0.5119 -0.0326 -0.0006  0.2895  0.2262 -0.0227
  o =  0.6236  v = -0.0123 -0.0202  0.8052 -0.0131  0.0004 -0.0571  0.0951 -0.0018  0.3780 -0.0315      0.0000 -0.0168 -0.1976  0.0142 -0.0052 -0.0492  0.3784  0.0071 -0.0907  0.0364
  o =  0.6261  v =  0.0744  0.1420  0.0754  0.2539  0.0004  0.3594 -0.0285 -0.0410  0.0410  0.4647      0.0000  0.2103  0.0080 -0.1130  0.0518  0.6536  0.0409 -0.0290 -0.0201 -0.2552
  o =  0.6287  v = -0.2456 -0.3558  0.0014 -0.2224 -0.0000  0.0167  0.0828  0.3943 -0.0003  0.0504      0.0000  0.2730  0.0090 -0.3709 -0.1970  0.0611 -0.0006  0.5786  0.0934 -0.0150
  o =  0.6296  v = -0.6673  0.1474 -0.0020  0.1105  0.0002  0.0290  0.2505 -0.1442 -0.0030  0.0348      0.0000 -0.0772  0.0002  0.1245 -0.5518  0.0418 -0.0028 -0.2089  0.2514 -0.0244
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5592 -0.0000 -0.0002  0.0002     -0.0000  0.0000 -0.0000  0.0449 -0.0004
 -0.0001 -0.0000  0.6082  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5593 -0.0001      0.0000 -0.0449  0.0000  0.0000 -0.0004
  0.0000  0.0002 -0.0000 -0.0001  0.5676     -0.0199  0.0004 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0000  0.0098  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0098 -0.0000
 -0.0098  0.0007 -0.0000 -0.0000  0.0001     -0.0000 -0.0007 -0.0165  0.0000 -0.0437
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000 -0.0000  0.0166  0.0005 -0.0436      0.0098  0.0000  0.0000 -0.0008  0.0002
 -0.0000 -0.0001  0.0000  0.0424  0.0007     -0.0000  0.0422  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0098  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0098  0.0000
  0.0098  0.0007  0.0000 -0.0000 -0.0001     -0.0000  0.0007 -0.0169 -0.0000 -0.0422
  0.0000 -0.0000  0.0000  0.0166  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0005  0.0424      0.0098 -0.0000  0.0000  0.0008  0.0001
 -0.0000  0.0001  0.0000 -0.0436  0.0007      0.0000  0.0437 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6052  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0196
  0.0000  0.5470  0.0000 -0.0003 -0.0002     -0.0000 -0.0000 -0.0000 -0.0391 -0.0004
 -0.0001  0.0000  0.6076 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5468  0.0001      0.0000  0.0391  0.0000 -0.0000 -0.0004
 -0.0000 -0.0002  0.0000  0.0001  0.5547      0.0196  0.0004  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v = -0.0086  0.0330  0.0001  0.0287 -0.0036  0.0003 -0.5976  0.0006 -0.0048 -0.0288      0.0000  0.0242  0.0001 -0.0294 -0.5287  0.0004  0.0031  0.0004 -0.5982  0.0333
  o =  0.4713  v =  0.0011  0.3972  0.0007  0.4131 -0.0036  0.0014  0.0446  0.0002 -0.0069 -0.4193      0.0000  0.4120  0.0001 -0.3970  0.0363  0.0014  0.0009 -0.0000  0.0440  0.4038
  o =  0.5712  v = -0.0088  0.0063  0.4614  0.0274 -0.0012 -0.0211  0.2892 -0.0024 -0.5161  0.0644      0.0000  0.0318  0.2630 -0.0173  0.0135 -0.0533 -0.5172 -0.0059 -0.2999 -0.0255
  o =  0.5772  v =  0.0553 -0.2676  0.0613 -0.1915 -0.0001  0.5199  0.0240 -0.0061 -0.0562 -0.3598      0.0000 -0.1765 -0.0024  0.2359 -0.0570  0.3799 -0.0572 -0.0159  0.0283  0.4927
  o =  0.5815  v = -0.4576  0.2177  0.0015  0.3042  0.0001  0.0505 -0.1739  0.4066 -0.0037 -0.0203      0.0000 -0.3241 -0.0042  0.2553  0.3980  0.0279 -0.0039  0.3058 -0.1667  0.0377
  o =  0.5824  v =  0.5389  0.2124  0.0104  0.2784 -0.0002 -0.0245  0.1979  0.3605 -0.0065  0.0225      0.0000 -0.2585  0.0031  0.1936 -0.4467 -0.0277 -0.0067  0.2726  0.1928 -0.0205
  o =  0.6230  v = -0.0162 -0.0103  0.7921 -0.0232 -0.0011 -0.0562 -0.1194 -0.0057  0.3537 -0.0552      0.0000 -0.0301  0.2740  0.0234 -0.0069 -0.0894  0.3528 -0.0102  0.1252  0.0347
  o =  0.6258  v =  0.0689  0.2222  0.1060  0.1684 -0.0002  0.5920 -0.0212 -0.0145  0.0558  0.3196      0.0000  0.1555 -0.0014 -0.1952  0.0465  0.4598  0.0561 -0.0272 -0.0225 -0.4119
  o =  0.6295  v = -0.3419 -0.2316  0.0128 -0.3261 -0.0001  0.0441  0.1283  0.5168  0.0058  0.0194      0.0000  0.3457 -0.0049 -0.2697 -0.2819  0.0220  0.0060  0.3854  0.1223 -0.0379
  o =  0.6307  v = -0.6125  0.1548 -0.0093  0.2019 -0.0002  0.0314  0.2397 -0.2769 -0.0069  0.0277      0.0000 -0.1760 -0.0028  0.1288 -0.5255  0.0317 -0.0072 -0.2079  0.2353 -0.0273
     EDDAV:  cpu time   75.8745: real time   76.6089
       DOS:  cpu time    0.0487: real time    0.0489
    CHARGE:  cpu time    1.1992: real time    1.2096
    MIXING:  cpu time    0.0368: real time    0.0372
    --------------------------------------------
      LOOP:  cpu time   78.0773: real time   78.8299

 eigenvalue-minimisations  : 13600
 total energy-change (2. order) : 0.1960266E-02  (-0.4191811E-03)
 number of electron    1039.9999692 magnetization       0.0469492     -0.0011831     -0.0614469
 augmentation part       28.5475294 magnetization       0.0149525      0.0007594     -0.0151771

 Broyden mixing:
  rms(total) = 0.14337E+00    rms(broyden)= 0.14337E+00
  rms(prec ) = 0.15670E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6461
  2.3617  2.3617  1.5005  1.1710  0.7192  0.7192  0.5770  0.5770  0.3941  0.3941
  0.3988  0.1896  0.1689  0.1528  0.0951  0.1299  0.1193  0.1229  0.1229

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.44948372
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.63395343
  PAW double counting   =     84336.67729804   -83157.99159933
  entropy T*S    EENTRO =        -0.15503440
  eigenvalues    EBANDS =     -6098.47990552
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.23743222 eV

  energy without entropy =    -1066.08239783  energy(sigma->0) =    -1066.18575409


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  25)  ---------------------------------------


    POTLOK:  cpu time    0.4740: real time    0.4791
    SETDIJ:  cpu time    0.4329: real time    0.4353
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6056 -0.0001 -0.0000  0.0001  0.0000     -0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0001  0.5442 -0.0001  0.0001 -0.0001      0.0000  0.0000 -0.0000  0.0371 -0.0013
 -0.0000 -0.0001  0.6080  0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5444 -0.0000      0.0000 -0.0371 -0.0000  0.0000  0.0015
  0.0000 -0.0001  0.0000 -0.0000  0.5524     -0.0195  0.0013 -0.0000 -0.0015  0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0024 -0.0000 -0.0003  0.0001     -0.0000  0.0022 -0.0169 -0.0003 -0.0418
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0002 -0.0000 -0.0001
 -0.0000 -0.0004  0.0169  0.0018 -0.0415      0.0097 -0.0002  0.0000  0.0026  0.0001
  0.0001  0.0001  0.0000  0.0438  0.0027     -0.0001  0.0435 -0.0001  0.0001  0.0031
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0024 -0.0000 -0.0004  0.0001     -0.0000 -0.0022 -0.0164  0.0002 -0.0435
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169 -0.0002 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0018  0.0438      0.0097  0.0003  0.0000 -0.0026 -0.0001
  0.0001  0.0001  0.0000 -0.0415  0.0027      0.0001  0.0418  0.0001 -0.0001 -0.0031
 
spin component  4
 
  0.6066  0.0001 -0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0199
  0.0001  0.5621  0.0001 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0465 -0.0014
 -0.0000  0.0001  0.6089 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5616  0.0000      0.0000  0.0465 -0.0000 -0.0000  0.0016
 -0.0000  0.0001  0.0000  0.0000  0.5699      0.0199  0.0014  0.0000 -0.0016 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v =  0.0017  0.3775 -0.0021 -0.4584  0.0018 -0.0061 -0.1026 -0.0004  0.0113  0.3964      0.0000 -0.4549  0.0004 -0.3754 -0.1169  0.0073  0.0081  0.0002 -0.1057  0.3267
  o =  0.4722  v = -0.0034  0.0668 -0.0004 -0.0822 -0.0069 -0.0021  0.5602  0.0018 -0.0046  0.0699      0.0000 -0.0983  0.0000 -0.0809  0.5804  0.0025  0.0089 -0.0015  0.5599  0.0572
  o =  0.5677  v =  0.1262 -0.4058 -0.0015  0.4588  0.0002  0.0188  0.0784  0.3576 -0.0012  0.0191      0.0000 -0.4409  0.0002 -0.3814 -0.1717 -0.0138 -0.0009 -0.3132  0.0767  0.0259
  o =  0.5760  v = -0.5776 -0.0360 -0.0295  0.0357  0.0004 -0.1143 -0.2893  0.1040  0.0267 -0.1506      0.0000 -0.1701  0.0174 -0.1498  0.5760  0.1354  0.0270 -0.0933 -0.3231 -0.1275
  o =  0.5825  v = -0.1908 -0.1191  0.4192  0.1622 -0.0001  0.3179 -0.1237  0.0191 -0.3162  0.3588      0.0000  0.1297 -0.0681  0.1043  0.1464 -0.4140 -0.3171 -0.0069 -0.0205  0.2751
  o =  0.5853  v = -0.1157 -0.1119 -0.5674  0.1031 -0.0001  0.3375 -0.0386  0.0075  0.3791  0.2281      0.0000  0.0977 -0.0023  0.1104  0.0767 -0.3058  0.3803 -0.0055 -0.0349  0.2517
  o =  0.6217  v =  0.2724  0.2207  0.0006 -0.2558 -0.0001  0.0423 -0.0738  0.6255 -0.0043 -0.0191      0.0000  0.2373 -0.0007  0.1998  0.1538 -0.0378 -0.0042 -0.5341 -0.0756 -0.0218
  o =  0.6249  v = -0.6981  0.0449 -0.0374 -0.0506 -0.0003 -0.1485  0.2242  0.2092 -0.0210  0.1074      0.0000  0.1500  0.0239  0.1301 -0.4532  0.1727 -0.0212 -0.1809  0.2485  0.0923
  o =  0.6305  v = -0.1635  0.1119  0.5039 -0.1535 -0.0003  0.2857  0.1292  0.0267  0.3369 -0.3215      0.0000 -0.1217 -0.0888 -0.0959 -0.1406 -0.3778  0.3371 -0.0160  0.0098 -0.2429
  o =  0.6337  v =  0.1112 -0.1456  0.4824  0.1382 -0.0007 -0.3341 -0.0477 -0.0050  0.3659  0.2934      0.0000  0.1266 -0.0079  0.1387  0.1092  0.3114  0.3663  0.0019 -0.0587  0.3146
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0195
  0.0001  0.5461  0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0000  0.0385  0.0018
 -0.0000  0.0000  0.6077 -0.0001  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5461  0.0003     -0.0000 -0.0385 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0003  0.5540     -0.0195 -0.0018 -0.0000  0.0000 -0.0000
 
spin component  2
 
 -0.0002  0.0097  0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0033  0.0000  0.0001 -0.0000     -0.0000  0.0000 -0.0169  0.0004 -0.0419
 -0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169 -0.0028 -0.0420      0.0097  0.0004  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0433 -0.0039      0.0001  0.0435  0.0000 -0.0001 -0.0002
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0033  0.0000  0.0001 -0.0001     -0.0000 -0.0000 -0.0165 -0.0004 -0.0435
  0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0165 -0.0028  0.0433      0.0097 -0.0004  0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0420 -0.0039     -0.0001  0.0419 -0.0000  0.0000  0.0002
 
spin component  4
 
  0.6062 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5595 -0.0000  0.0000  0.0001      0.0000  0.0000  0.0000 -0.0453  0.0019
 -0.0000 -0.0000  0.6084  0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5596 -0.0003     -0.0000  0.0453 -0.0000 -0.0000  0.0000
  0.0000  0.0001 -0.0000 -0.0003  0.5674      0.0198 -0.0019  0.0000 -0.0000  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4691  v =  0.0017 -0.5828  0.0000 -0.0103  0.0091  0.0081 -0.1492  0.0000  0.0086  0.0094      0.0000 -0.0105 -0.0020  0.5776 -0.1513  0.0001 -0.0086 -0.0006 -0.1305 -0.5138
  o =  0.4717  v = -0.0016 -0.1423 -0.0001  0.0130  0.0232  0.0036  0.5534  0.0001  0.0234 -0.0105      0.0000  0.0126 -0.0006  0.1625  0.5635 -0.0002 -0.0227  0.0022  0.5587 -0.1239
  o =  0.5698  v = -0.1524 -0.5968 -0.0012 -0.0199 -0.0000  0.0248 -0.0915 -0.0165  0.0020 -0.0014      0.0000  0.0189 -0.0058 -0.5652  0.1944  0.0007  0.0008 -0.4951 -0.0845  0.0329
  o =  0.5764  v =  0.5638 -0.0509  0.0073 -0.0155  0.0000 -0.2172  0.3477 -0.0068 -0.0059 -0.0207      0.0000 -0.0023  0.0630 -0.2605 -0.5531  0.0195 -0.0067 -0.1614  0.2283 -0.2328
  o =  0.5812  v =  0.2237 -0.1867 -0.0237  0.0169  0.0010  0.4288 -0.2864  0.0009  0.0183  0.0383      0.0000  0.0159 -0.4765  0.1301 -0.1824 -0.0427  0.0199 -0.0379  0.4653  0.3860
  o =  0.5838  v =  0.1416 -0.1925  0.0059  0.0112 -0.0006  0.5110  0.3940  0.0031 -0.0040  0.0223      0.0000  0.0081  0.4881  0.1642 -0.1018 -0.0286 -0.0041 -0.0149 -0.2977  0.4006
  o =  0.6223  v =  0.2925 -0.3537  0.0037 -0.0104 -0.0001 -0.0652 -0.0941  0.0260  0.0025  0.0011      0.0000  0.0115  0.0153 -0.3201  0.1724  0.0007  0.0018  0.7978 -0.0717  0.0351
  o =  0.6252  v = -0.6647 -0.0683 -0.0049 -0.0118  0.0003  0.2670  0.2678  0.0107 -0.0030 -0.0134      0.0000 -0.0004 -0.0787 -0.2299 -0.4439 -0.0208 -0.0031  0.2962  0.1885 -0.1739
  o =  0.6291  v =  0.2036  0.1650 -0.0248 -0.0122  0.0003  0.4019  0.2854 -0.0013 -0.0160 -0.0289      0.0000 -0.0136 -0.5768 -0.1179  0.1662 -0.0356 -0.0158 -0.0328 -0.4493 -0.3281
  o =  0.6321  v =  0.1414  0.2263  0.0061 -0.0137 -0.0001  0.5143 -0.3763  0.0030  0.0046 -0.0258      0.0000 -0.0094  0.4362 -0.1943  0.1310 -0.0290  0.0042 -0.0260  0.2501 -0.4609
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6063 -0.0000 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5597 -0.0000  0.0000  0.0002     -0.0000  0.0000 -0.0000  0.0453 -0.0004
 -0.0000 -0.0000  0.6086  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5598 -0.0001      0.0000 -0.0453  0.0000 -0.0000 -0.0002
  0.0000  0.0002  0.0000 -0.0001  0.5678     -0.0198  0.0004 -0.0000  0.0002  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008 -0.0000 -0.0001  0.0001     -0.0000 -0.0004 -0.0164 -0.0000 -0.0436
  0.0000 -0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0164  0.0007 -0.0435      0.0097 -0.0000  0.0000 -0.0004  0.0001
 -0.0000  0.0000  0.0000  0.0421  0.0007     -0.0000  0.0420  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008 -0.0000 -0.0001  0.0000     -0.0000  0.0004 -0.0169  0.0000 -0.0420
  0.0000 -0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0169  0.0007  0.0421      0.0097  0.0000  0.0000  0.0004 -0.0000
 -0.0000  0.0001  0.0000 -0.0435  0.0007      0.0000  0.0436 -0.0000 -0.0001  0.0002
 
spin component  4
 
  0.6055  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5462  0.0000 -0.0001 -0.0002     -0.0000 -0.0000 -0.0000 -0.0384 -0.0004
 -0.0000  0.0000  0.6079 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5460  0.0001      0.0000  0.0384  0.0000  0.0000 -0.0002
 -0.0000 -0.0002 -0.0000  0.0001  0.5543      0.0196  0.0004  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4692  v = -0.0087  0.0321  0.0000  0.0075 -0.0035  0.0003 -0.5992  0.0003 -0.0041 -0.0074      0.0000  0.0053  0.0000 -0.0273 -0.5277  0.0002  0.0036  0.0005 -0.5995  0.0321
  o =  0.4716  v =  0.0008  0.5286  0.0005  0.2213 -0.0050  0.0019  0.0307 -0.0000 -0.0076 -0.2252      0.0000  0.2214 -0.0005 -0.5286  0.0264  0.0008  0.0035  0.0000  0.0348  0.5381
  o =  0.5703  v =  0.0038  0.0002 -0.4680 -0.0240  0.0001  0.0048 -0.2555  0.0015  0.5440 -0.0557      0.0000 -0.0263 -0.2214  0.0067 -0.0053  0.0443  0.5447  0.0034  0.2598  0.0061
  o =  0.5771  v = -0.0432  0.3201 -0.0304  0.0381  0.0003 -0.6343  0.0141 -0.0039  0.0283  0.0803      0.0000  0.0444  0.0369 -0.3054  0.0453 -0.0836  0.0295  0.0077 -0.0556 -0.6114
  o =  0.5820  v =  0.5969 -0.2085  0.0004 -0.1532 -0.0001 -0.0456  0.2248 -0.1990  0.0004  0.0013      0.0000  0.1533  0.0042 -0.2429 -0.5169 -0.0025  0.0009 -0.2927  0.2188 -0.0357
  o =  0.5829  v = -0.3749 -0.3685 -0.0043 -0.2488  0.0001  0.0207 -0.1379 -0.3296  0.0031 -0.0088      0.0000  0.2405 -0.0023 -0.3535  0.3097  0.0108  0.0039 -0.4864 -0.1335  0.0162
  o =  0.6227  v =  0.0063  0.0038 -0.8204  0.0214  0.0003  0.0263  0.0937  0.0037 -0.3524  0.0499      0.0000  0.0264 -0.2209 -0.0120  0.0028  0.0829 -0.3523  0.0069 -0.0962 -0.0160
  o =  0.6256  v = -0.0525 -0.2647 -0.0599 -0.0460  0.0002 -0.7466 -0.0163 -0.0023 -0.0307 -0.0938      0.0000 -0.0492  0.0635  0.2525 -0.0342 -0.1376 -0.0308  0.0113  0.0485  0.5103
  o =  0.6300  v = -0.4861 -0.2722  0.0052 -0.2012 -0.0001  0.0366  0.1822  0.3077  0.0021  0.0012      0.0000  0.2018 -0.0035 -0.3027 -0.4034  0.0008  0.0026  0.4385  0.1774 -0.0313
  o =  0.6309  v =  0.5119 -0.2858  0.0062 -0.1965  0.0002 -0.0274 -0.2000  0.2822  0.0033 -0.0096      0.0000  0.1873  0.0041 -0.2625  0.4378 -0.0110  0.0040  0.4032 -0.1951  0.0244
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6066 -0.0000 -0.0000 -0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0199
 -0.0000  0.5627  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0470 -0.0004
 -0.0000  0.0000  0.6089  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5626 -0.0001      0.0000 -0.0470  0.0000 -0.0000 -0.0007
 -0.0000  0.0000 -0.0000 -0.0001  0.5708     -0.0199  0.0004 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008  0.0000  0.0002 -0.0000     -0.0000 -0.0010 -0.0163 -0.0000 -0.0438
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0163  0.0005 -0.0438      0.0097 -0.0000  0.0000 -0.0013 -0.0000
 -0.0000 -0.0001  0.0000  0.0415  0.0008     -0.0000  0.0416  0.0000 -0.0001 -0.0015
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0002 -0.0001     -0.0000  0.0010 -0.0169  0.0000 -0.0416
  0.0000  0.0000  0.0000  0.0163  0.0000      0.0000  0.0163  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0169  0.0005  0.0415      0.0097  0.0000  0.0000  0.0013  0.0001
 -0.0000 -0.0000  0.0000 -0.0438  0.0008      0.0000  0.0438 -0.0000  0.0000  0.0015
 
spin component  4
 
  0.6054  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0195
  0.0000  0.5430 -0.0000  0.0000 -0.0001     -0.0000 -0.0000 -0.0000 -0.0365 -0.0004
 -0.0000 -0.0000  0.6079 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5431  0.0001      0.0000  0.0365  0.0000  0.0000 -0.0006
  0.0000 -0.0001  0.0000  0.0001  0.5515      0.0195  0.0004  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v =  0.0105 -0.0184 -0.0001 -0.0467 -0.0030 -0.0003  0.6026 -0.0008 -0.0031  0.0483      0.0000 -0.0392  0.0000  0.0148  0.5164 -0.0007  0.0037 -0.0004  0.6026 -0.0188
  o =  0.4722  v = -0.0014 -0.2405 -0.0008 -0.5120 -0.0029 -0.0018 -0.0545  0.0001  0.0004  0.5374      0.0000 -0.5125 -0.0006  0.2408 -0.0399 -0.0040  0.0068  0.0001 -0.0486 -0.2523
  o =  0.5667  v =  0.0014  0.0188  0.0060 -0.0254  0.0010 -0.0250 -0.6161 -0.0011 -0.0082 -0.0575      0.0000 -0.0254 -0.4786 -0.0129 -0.0019  0.0415 -0.0070  0.0028  0.6185 -0.0348
  o =  0.5758  v = -0.0704  0.1601 -0.0456  0.2973 -0.0002 -0.2933 -0.0625  0.0093  0.0455  0.5434      0.0000  0.2786 -0.0277 -0.1499  0.0786 -0.5449  0.0455  0.0049 -0.0074 -0.2922
  o =  0.5832  v = -0.6737  0.0698  0.0057  0.1159 -0.0002  0.0409 -0.2318  0.1960 -0.0056 -0.0559      0.0000 -0.1709  0.0028  0.0991  0.5625  0.0762 -0.0054  0.1156 -0.2351  0.0297
  o =  0.5850  v = -0.2442 -0.2373 -0.0010 -0.4021 -0.0001  0.0082 -0.0814 -0.5881  0.0024 -0.0099      0.0000  0.3932 -0.0022 -0.2318  0.1853  0.0144  0.0017 -0.3469 -0.0803  0.0058
  o =  0.6215  v = -0.0060 -0.0050  0.6417 -0.0286 -0.0004 -0.0318 -0.2254 -0.0033  0.2486 -0.0608      0.0000 -0.0306  0.5860  0.0119 -0.0024 -0.1080  0.2482 -0.0034  0.2280  0.0178
  o =  0.6246  v =  0.0909  0.1284  0.0981  0.2325 -0.0003  0.3714 -0.0523 -0.0133  0.0464  0.4347      0.0000  0.2193  0.0564 -0.1215  0.0556  0.6712  0.0464 -0.0071  0.0008 -0.2403
  o =  0.6315  v = -0.6150 -0.1020  0.0093 -0.1660  0.0001  0.0345  0.2327  0.2784  0.0051  0.0575      0.0000  0.2228  0.0028 -0.1331 -0.5391  0.0634  0.0049  0.1685  0.2368 -0.0313
  o =  0.6331  v = -0.3080  0.2413 -0.0032  0.3988  0.0002  0.0122  0.1282 -0.5244 -0.0017  0.0195      0.0000 -0.3803 -0.0005  0.2303 -0.2846  0.0203 -0.0009 -0.3175  0.1262 -0.0113
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6074  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0196
  0.0001  0.5586  0.0000 -0.0001 -0.0002      0.0000 -0.0000  0.0001  0.0442  0.0022
 -0.0001  0.0000  0.6097 -0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5585  0.0007     -0.0000 -0.0442 -0.0000  0.0000  0.0002
 -0.0000 -0.0002  0.0000  0.0007  0.5664     -0.0196 -0.0022 -0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0041 -0.0000  0.0001  0.0001     -0.0000  0.0003 -0.0163  0.0003 -0.0422
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0035 -0.0424      0.0097  0.0004  0.0000  0.0004  0.0001
  0.0000  0.0000 -0.0001  0.0409 -0.0041      0.0001  0.0411 -0.0000 -0.0000  0.0002
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0041  0.0000  0.0001  0.0000     -0.0000 -0.0003 -0.0167 -0.0004 -0.0411
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0035  0.0409      0.0096 -0.0003  0.0000 -0.0004  0.0000
  0.0000  0.0001 -0.0001 -0.0424 -0.0041     -0.0001  0.0422  0.0000 -0.0001 -0.0002
 
spin component  4
 
  0.6066 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5462 -0.0000 -0.0002  0.0002      0.0000  0.0000  0.0001 -0.0380  0.0020
 -0.0001 -0.0000  0.6091  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5462 -0.0007     -0.0000  0.0380 -0.0000 -0.0000  0.0002
  0.0000  0.0002 -0.0000 -0.0007  0.5550      0.0194 -0.0020  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4705  v = -0.0078 -0.1729  0.0002 -0.0132  0.0019 -0.0016 -0.5770 -0.0002  0.0013  0.0130      0.0000 -0.0111 -0.0006  0.1495 -0.5089 -0.0002 -0.0029 -0.0026 -0.5707 -0.1723
  o =  0.4733  v =  0.0042 -0.5486  0.0005 -0.0437 -0.0011 -0.0003  0.1632 -0.0000 -0.0032  0.0435      0.0000 -0.0436 -0.0028  0.5554  0.1431 -0.0000 -0.0007  0.0007  0.1880 -0.5500
  o =  0.5697  v = -0.0387 -0.1131  0.1136 -0.0106  0.0016  0.1785 -0.5837  0.0027 -0.1396 -0.0293      0.0000 -0.0144 -0.4551  0.0999  0.0534  0.0218 -0.1390 -0.0079  0.5317  0.2388
  o =  0.5768  v =  0.2589  0.3606  0.0277  0.0151  0.0005 -0.5136 -0.0620  0.0122 -0.0265  0.0032      0.0000 -0.0111 -0.1897 -0.1806 -0.2861 -0.0027 -0.0268  0.0906  0.3169 -0.5230
  o =  0.5805  v = -0.3790 -0.2709  0.0052 -0.0386  0.0001 -0.2680 -0.1953 -0.0479 -0.0057  0.0042      0.0000  0.0427 -0.0563 -0.5046  0.3708 -0.0066 -0.0063 -0.4518 -0.1029 -0.2390
  o =  0.5840  v = -0.5017  0.4046 -0.0046  0.0385 -0.0001 -0.1610 -0.2016  0.0509  0.0026  0.0017      0.0000 -0.0383 -0.0193  0.2909  0.4101 -0.0001  0.0029  0.4655 -0.1661 -0.1227
  o =  0.6227  v =  0.0970 -0.1132 -0.1471 -0.0022 -0.0019 -0.3612 -0.3295 -0.0056 -0.0580 -0.0143      0.0000 -0.0110  0.7603  0.0825  0.0501 -0.0252 -0.0597  0.0248  0.2814  0.2050
  o =  0.6257  v = -0.3198  0.2594 -0.0469  0.0117 -0.0004  0.6152 -0.0821 -0.0218 -0.0232  0.0022      0.0000 -0.0090  0.3640 -0.1490 -0.2039  0.0041 -0.0239 -0.1132  0.2704 -0.3987
  o =  0.6284  v =  0.4136 -0.2314 -0.0154 -0.0302  0.0000  0.2693 -0.1727  0.0567 -0.0070  0.0062      0.0000  0.0365  0.0615 -0.4322  0.3153  0.0065 -0.0074  0.5708 -0.0969 -0.2046
  o =  0.6319  v =  0.5033  0.3838  0.0049  0.0336 -0.0000  0.1547 -0.2182 -0.0508  0.0035 -0.0001      0.0000 -0.0348  0.0351  0.2529  0.4320  0.0001  0.0036 -0.4694 -0.1784 -0.1377
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6070  0.0002 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0002  0.5517 -0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0001  0.0405  0.0028
 -0.0001 -0.0000  0.6094 -0.0001 -0.0000     -0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5517  0.0007     -0.0000 -0.0405 -0.0000 -0.0000  0.0009
  0.0000 -0.0001 -0.0000  0.0007  0.5601     -0.0195 -0.0028 -0.0000 -0.0009 -0.0000
 
spin component  2
 
 -0.0003  0.0096 -0.0000 -0.0000  0.0001      0.0001  0.0000  0.0000 -0.0096  0.0001
 -0.0097 -0.0058 -0.0000 -0.0003  0.0001     -0.0000  0.0015 -0.0165  0.0004 -0.0416
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0165 -0.0047 -0.0414      0.0096  0.0004  0.0000  0.0017  0.0001
  0.0001 -0.0000 -0.0001  0.0419 -0.0059      0.0001  0.0418 -0.0000 -0.0000  0.0020
 
spin component  3
 
 -0.0003 -0.0097 -0.0000  0.0000  0.0001     -0.0001  0.0000 -0.0000 -0.0096 -0.0001
  0.0096 -0.0058  0.0000 -0.0003 -0.0000     -0.0000 -0.0015 -0.0165 -0.0004 -0.0418
 -0.0000 -0.0000 -0.0003  0.0165 -0.0001     -0.0000  0.0165 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0047  0.0419      0.0096 -0.0004  0.0000 -0.0017  0.0000
  0.0001  0.0001 -0.0001 -0.0414 -0.0059     -0.0001  0.0416  0.0000 -0.0001 -0.0020
 
spin component  4
 
  0.6070 -0.0002 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0195
 -0.0002  0.5530  0.0000 -0.0001  0.0001      0.0000 -0.0000  0.0001 -0.0416  0.0028
 -0.0001  0.0000  0.6094  0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0001  0.5529 -0.0007     -0.0000  0.0416 -0.0000 -0.0000  0.0009
 -0.0000  0.0001  0.0000 -0.0007  0.5612      0.0195 -0.0028  0.0000 -0.0009  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4708  v = -0.0009 -0.4102  0.0020 -0.1756  0.0310  0.0016 -0.3996 -0.0007  0.0223  0.1653      0.0000 -0.1693 -0.0025  0.3862 -0.3789  0.0008 -0.0405 -0.0027 -0.3784 -0.3825
  o =  0.4732  v =  0.0046 -0.3664  0.0017 -0.1183  0.0066  0.0046  0.4298  0.0009 -0.0006  0.1109      0.0000 -0.1267 -0.0023  0.3940  0.4030  0.0014 -0.0141  0.0032  0.4506 -0.3430
  o =  0.5728  v = -0.3155 -0.4848  0.1079 -0.1487  0.0005  0.2356 -0.3354 -0.0870 -0.1232 -0.1081      0.0000  0.0502 -0.1459 -0.2151  0.3911  0.0865 -0.1226 -0.3140 -0.0148  0.2913
  o =  0.5757  v = -0.0706 -0.1878 -0.1894 -0.1316  0.0001 -0.2493  0.3255 -0.1521  0.1933  0.0503      0.0000  0.1724  0.3400 -0.4216  0.0858 -0.0445  0.1883 -0.2954 -0.3727 -0.2854
  o =  0.5794  v =  0.3620 -0.1336  0.2053 -0.0544  0.0012 -0.2406 -0.0728 -0.0938 -0.1863  0.0581      0.0000  0.1194 -0.2760 -0.3751 -0.3430 -0.0634 -0.1860 -0.2830  0.4208 -0.2268
  o =  0.5835  v = -0.4347  0.2925  0.1194  0.0911  0.0007 -0.4694 -0.3056  0.0414 -0.0932  0.1282      0.0000  0.0273 -0.1842 -0.0607  0.3513 -0.1574 -0.0924  0.1475 -0.0176 -0.3810
  o =  0.6236  v =  0.4775 -0.3040 -0.1470 -0.0754 -0.0008 -0.3819 -0.2449  0.1067 -0.0611 -0.0666      0.0000  0.0118  0.2548 -0.0964  0.2776 -0.1183 -0.0609  0.4576 -0.0150  0.2192
  o =  0.6254  v = -0.1276  0.0838 -0.1034  0.1922 -0.0056 -0.3139 -0.2200 -0.3439 -0.0559  0.0484      0.0000 -0.1474  0.5303  0.2675 -0.0909  0.0765 -0.0534 -0.3711  0.2915  0.2100
  o =  0.6277  v = -0.3957 -0.1091 -0.2767 -0.0674  0.0003  0.2695 -0.0634  0.1598 -0.1502  0.0302      0.0000  0.1023  0.3644 -0.3017 -0.2780  0.0454 -0.1515  0.3690  0.3435 -0.1844
  o =  0.6315  v =  0.4178  0.2952 -0.1298  0.0893 -0.0003  0.4518 -0.3061 -0.0427 -0.0853  0.1285      0.0000  0.0314  0.2106 -0.0692  0.3591  0.1507 -0.0857 -0.1753 -0.0314 -0.3863
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6040 -0.0003 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0001  0.0199
 -0.0003  0.5504  0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0001  0.0409 -0.0051
 -0.0001  0.0000  0.6075  0.0001  0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5506 -0.0005      0.0001 -0.0409  0.0000  0.0000 -0.0007
 -0.0000  0.0000  0.0000 -0.0005  0.5606     -0.0199  0.0051 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0098  0.0092 -0.0000  0.0003  0.0001     -0.0000 -0.0012 -0.0168 -0.0007 -0.0437
  0.0000  0.0000  0.0005 -0.0167  0.0002     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0003  0.0168  0.0069 -0.0432      0.0098 -0.0007  0.0000 -0.0012  0.0001
 -0.0000  0.0000  0.0002  0.0446  0.0108     -0.0003  0.0445  0.0000  0.0000 -0.0017
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0099  0.0092  0.0000  0.0003  0.0000     -0.0000  0.0012 -0.0166  0.0007 -0.0445
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0003 -0.0167  0.0069  0.0446      0.0099  0.0007  0.0000  0.0012 -0.0000
 -0.0000  0.0001  0.0002 -0.0432  0.0108      0.0003  0.0437 -0.0000 -0.0001  0.0017
 
spin component  4
 
  0.6043  0.0003 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0001 -0.0201
  0.0003  0.5553 -0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0001 -0.0436 -0.0052
 -0.0001 -0.0000  0.6077 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5550  0.0005      0.0001  0.0436  0.0000 -0.0000 -0.0008
  0.0000  0.0000 -0.0000  0.0005  0.5671      0.0201  0.0052  0.0000  0.0008 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4676  v =  0.0011  0.4770  0.0011  0.0522 -0.0236 -0.0030 -0.3718  0.0009 -0.0291 -0.0450      0.0000  0.0443 -0.0044 -0.4460 -0.3571 -0.0004  0.0183  0.0035 -0.3325  0.4344
  o =  0.4708  v = -0.0044 -0.3455 -0.0012 -0.0586 -0.0017  0.0071 -0.4507  0.0007  0.0034  0.0530      0.0000 -0.0648  0.0036  0.3885 -0.4305  0.0011  0.0067  0.0048 -0.4829 -0.3120
  o =  0.5698  v = -0.3447  0.5120  0.0363  0.0746  0.0003 -0.2216 -0.3191  0.0461 -0.0441  0.0449      0.0000 -0.0341 -0.1188  0.2583  0.4222 -0.0351 -0.0436  0.3363 -0.0581 -0.2743
  o =  0.5759  v =  0.0454  0.2171 -0.1984 -0.0789 -0.0036  0.3014  0.3359 -0.0243  0.1823 -0.1296      0.0000 -0.0238  0.3063  0.4651 -0.0322  0.1266  0.1918  0.3537 -0.2539  0.3111
  o =  0.5799  v = -0.4153 -0.1555 -0.1350 -0.0354 -0.0015 -0.1358  0.1579 -0.0461  0.1108  0.0024      0.0000  0.0465  0.4088 -0.2998  0.3326 -0.0065  0.1110 -0.2822 -0.5034 -0.1044
  o =  0.5860  v =  0.4382  0.2470 -0.0728  0.0357 -0.0007 -0.5914  0.2868  0.0192  0.0465  0.0539      0.0000  0.0121  0.2665 -0.0789 -0.2583 -0.0872  0.0460  0.1250 -0.0525 -0.3616
  o =  0.6213  v = -0.5016 -0.3106  0.0574 -0.0363  0.0008 -0.3562  0.2390  0.0607  0.0214 -0.0273      0.0000  0.0100 -0.2168 -0.1183 -0.2983 -0.0499  0.0213  0.5119  0.0413  0.2040
  o =  0.6252  v = -0.0439  0.1432  0.4646 -0.2568 -0.0111 -0.1924  0.1123  0.3358  0.2375 -0.2107      0.0000  0.0787 -0.1871  0.2653 -0.0205 -0.2804  0.2483 -0.3934 -0.0736  0.1418
  o =  0.6282  v =  0.3951 -0.1341  0.1622 -0.0396 -0.0001  0.1685  0.1298  0.0756  0.0976  0.0005      0.0000  0.0458 -0.4671 -0.2789  0.3159  0.0037  0.0993  0.3304 -0.4539 -0.1210
  o =  0.6377  v =  0.3240 -0.3234 -0.0541 -0.0469 -0.0003 -0.4350 -0.3499  0.0147 -0.0470 -0.0745      0.0000 -0.0206  0.2029  0.1320  0.3749 -0.0651 -0.0475  0.1138  0.0016  0.4967
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5474  0.0000 -0.0002  0.0002     -0.0000 -0.0000 -0.0001  0.0396 -0.0017
 -0.0001  0.0000  0.6073  0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0001  0.5474 -0.0006      0.0000 -0.0396  0.0000  0.0000 -0.0007
  0.0000  0.0002 -0.0000 -0.0006  0.5580     -0.0199  0.0017 -0.0000  0.0007 -0.0000
 
spin component  2
 
  0.0002  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0034 -0.0000  0.0001  0.0000     -0.0000 -0.0012 -0.0169 -0.0004 -0.0433
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0030 -0.0432      0.0098 -0.0003  0.0000 -0.0014  0.0000
 -0.0000 -0.0001  0.0001  0.0448  0.0036     -0.0001  0.0448  0.0000 -0.0001 -0.0015
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0034  0.0000  0.0001 -0.0001     -0.0000  0.0012 -0.0166  0.0003 -0.0448
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0030  0.0448      0.0099  0.0004  0.0000  0.0014  0.0001
 -0.0000  0.0000  0.0001 -0.0432  0.0036      0.0001  0.0433 -0.0000 -0.0000  0.0015
 
spin component  4
 
  0.6044  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5583 -0.0000 -0.0001 -0.0003     -0.0000  0.0000 -0.0001 -0.0451 -0.0018
 -0.0001 -0.0000  0.6078 -0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5583  0.0007      0.0000  0.0451  0.0000 -0.0000 -0.0008
 -0.0000 -0.0003  0.0000  0.0007  0.5696      0.0201  0.0018  0.0000  0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4679  v = -0.0012 -0.5283 -0.0016 -0.2217 -0.0163  0.0073  0.1840 -0.0003 -0.0093  0.1955      0.0000 -0.2189  0.0015  0.5214  0.1842  0.0030  0.0234 -0.0007  0.1699 -0.4648
  o =  0.4706  v =  0.0007  0.1707  0.0005  0.0572 -0.0092 -0.0040  0.5491 -0.0008 -0.0111 -0.0493      0.0000  0.0646 -0.0005 -0.1905  0.5418 -0.0015  0.0072 -0.0022  0.5541  0.1493
  o =  0.5711  v =  0.1752 -0.5418 -0.0021 -0.2251  0.0001  0.0279  0.0917 -0.1953  0.0048 -0.0184      0.0000  0.2088  0.0044 -0.5092 -0.2042  0.0142  0.0050 -0.4733  0.0865  0.0342
  o =  0.5778  v =  0.5822  0.0481 -0.0860  0.0218 -0.0004  0.2386  0.3308  0.0708  0.0764 -0.0912      0.0000 -0.1028  0.0827  0.2486 -0.5089  0.0967  0.0759  0.1650  0.1840  0.2257
  o =  0.5805  v = -0.2623 -0.1381 -0.3839 -0.0592 -0.0013  0.2962  0.2038 -0.0149  0.3050 -0.1101      0.0000 -0.0276  0.3807  0.0612  0.2032  0.1288  0.3040 -0.0485 -0.4003  0.2536
  o =  0.5837  v =  0.1799  0.1949 -0.2693  0.0733 -0.0010 -0.5719  0.2526  0.0059  0.1877  0.1593      0.0000  0.0667  0.2848 -0.1647 -0.1199 -0.2225  0.1874  0.0189 -0.1438 -0.4092
  o =  0.6226  v =  0.2737  0.3423 -0.0044  0.1400 -0.0000  0.0571 -0.0931 -0.2999  0.0018  0.0133      0.0000 -0.1273  0.0124  0.3099  0.1797  0.0246  0.0017 -0.7309 -0.0748 -0.0339
  o =  0.6264  v =  0.6026 -0.0462 -0.1367 -0.0164  0.0000  0.2682 -0.2928  0.0990 -0.0783  0.0872      0.0000  0.0959  0.1122 -0.2309  0.4570  0.1151 -0.0783  0.2506 -0.1669 -0.2015
  o =  0.6287  v =  0.2481 -0.1138  0.4740 -0.0575  0.0003 -0.2082  0.1752  0.0385  0.3005 -0.0909      0.0000 -0.0179 -0.4388  0.0361  0.2110 -0.1047  0.3013  0.0611 -0.3821  0.1822
  o =  0.6331  v = -0.1719  0.2489  0.2083  0.0956  0.0001  0.5165  0.2465 -0.0053  0.1569  0.2012      0.0000  0.0861 -0.2183 -0.2110 -0.1737  0.2040  0.1575 -0.0271 -0.0832 -0.5094
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6073  0.0001 -0.0000  0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5584  0.0000 -0.0001 -0.0002      0.0000 -0.0000  0.0001  0.0442  0.0022
 -0.0000  0.0000  0.6096 -0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5578  0.0008     -0.0000 -0.0442 -0.0000 -0.0000  0.0001
  0.0000 -0.0002  0.0000  0.0008  0.5665     -0.0197 -0.0022 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0096  0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0042 -0.0000  0.0001 -0.0000     -0.0000  0.0003 -0.0164  0.0003 -0.0421
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0164 -0.0036 -0.0427      0.0097  0.0003 -0.0000  0.0003 -0.0000
 -0.0000 -0.0001 -0.0001  0.0406 -0.0041      0.0001  0.0413 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0096 -0.0042  0.0000  0.0001 -0.0001     -0.0000 -0.0003 -0.0167 -0.0003 -0.0413
  0.0000 -0.0000 -0.0002  0.0164 -0.0001     -0.0000  0.0164 -0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0036  0.0406      0.0096 -0.0003  0.0000 -0.0003  0.0001
  0.0000 -0.0000 -0.0001 -0.0427 -0.0041     -0.0001  0.0421  0.0000  0.0000 -0.0001
 
spin component  4
 
  0.6066 -0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5463 -0.0000 -0.0000  0.0002      0.0000 -0.0000  0.0001 -0.0382  0.0021
 -0.0000 -0.0000  0.6090  0.0001 -0.0000      0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5468 -0.0007     -0.0000  0.0382 -0.0000  0.0000  0.0001
 -0.0000  0.0002 -0.0000 -0.0007  0.5548      0.0194 -0.0021  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4705  v = -0.0076 -0.1868  0.0001 -0.0044 -0.0042 -0.0017 -0.5727 -0.0002 -0.0050  0.0042      0.0000 -0.0028 -0.0008  0.1634 -0.5064 -0.0001  0.0040 -0.0026 -0.5651 -0.1858
  o =  0.4732  v =  0.0043 -0.5454  0.0003 -0.0280 -0.0037 -0.0001  0.1768  0.0001 -0.0053  0.0277      0.0000 -0.0282 -0.0028  0.5532  0.1554  0.0000  0.0025  0.0008  0.2019 -0.5458
  o =  0.5698  v = -0.0505 -0.1241  0.0095  0.0082  0.0007  0.1954 -0.5986  0.0008 -0.0122  0.0167      0.0000  0.0071 -0.4649  0.1092  0.0685 -0.0125 -0.0112 -0.0087  0.5333  0.2597
  o =  0.5770  v =  0.2345  0.3378  0.0272  0.0377 -0.0000 -0.5204 -0.0956  0.0231 -0.0268  0.0290      0.0000 -0.0075 -0.2135 -0.2076 -0.2574 -0.0286 -0.0262  0.0654  0.3278 -0.5277
  o =  0.5801  v = -0.3736 -0.3123  0.0162 -0.0036 -0.0001 -0.2248 -0.1806 -0.0185 -0.0152  0.0247      0.0000  0.0284 -0.0394 -0.5089  0.3700 -0.0279 -0.0147 -0.4731 -0.1174 -0.2036
  o =  0.5841  v = -0.5198  0.3935  0.0001  0.0192  0.0001 -0.1722 -0.2042  0.0301  0.0000 -0.0057      0.0000 -0.0257 -0.0151  0.2721  0.4237  0.0079 -0.0002  0.4469 -0.1755 -0.1313
  o =  0.6227  v =  0.1129 -0.1201 -0.0257  0.0063 -0.0009 -0.3864 -0.3338 -0.0009 -0.0101  0.0108      0.0000  0.0041  0.7573  0.0897  0.0589  0.0189 -0.0106  0.0240  0.2774  0.2194
  o =  0.6258  v = -0.2824  0.2414 -0.0505  0.0301 -0.0004  0.6172 -0.1092 -0.0336 -0.0253  0.0250      0.0000 -0.0045  0.3948 -0.1700 -0.1799  0.0385 -0.0252 -0.0747  0.2770 -0.4022
  o =  0.6281  v = -0.4160  0.2618  0.0270  0.0029  0.0002 -0.2237  0.1576 -0.0244  0.0144 -0.0218      0.0000 -0.0249 -0.0355  0.4259 -0.3132 -0.0289  0.0142 -0.5985  0.1110  0.1690
  o =  0.6320  v = -0.5168 -0.3753 -0.0002 -0.0180 -0.0002 -0.1610  0.2209  0.0313  0.0000  0.0058      0.0000  0.0244 -0.0295 -0.2388 -0.4451  0.0069 -0.0000  0.4508  0.1881  0.1442
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6069  0.0002 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0002  0.5517 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0001  0.0406  0.0028
 -0.0000 -0.0000  0.6093 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5521  0.0006     -0.0000 -0.0406 -0.0000  0.0000  0.0008
 -0.0000 -0.0001 -0.0000  0.0006  0.5600     -0.0195 -0.0028 -0.0000 -0.0008  0.0000
 
spin component  2
 
 -0.0003  0.0096 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0097  0.0002
 -0.0096 -0.0059 -0.0000 -0.0003 -0.0000      0.0000  0.0014 -0.0166  0.0004 -0.0418
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
 -0.0000 -0.0003  0.0165 -0.0046 -0.0411      0.0096  0.0004  0.0000  0.0015 -0.0000
  0.0000 -0.0001 -0.0001  0.0421 -0.0061      0.0002  0.0416 -0.0000 -0.0001  0.0018
 
spin component  3
 
 -0.0003 -0.0096 -0.0000 -0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0096 -0.0002
  0.0096 -0.0059  0.0000 -0.0003 -0.0001     -0.0000 -0.0014 -0.0165 -0.0004 -0.0416
 -0.0000 -0.0000 -0.0003  0.0165 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0046  0.0421      0.0097 -0.0004  0.0000 -0.0015  0.0001
  0.0000 -0.0000 -0.0001 -0.0411 -0.0061     -0.0002  0.0418  0.0000  0.0000 -0.0018
 
spin component  4
 
  0.6070 -0.0002 -0.0000 -0.0000  0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0195
 -0.0002  0.5529  0.0000 -0.0000  0.0001      0.0000 -0.0000  0.0001 -0.0415  0.0028
 -0.0000  0.0000  0.6093  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5524 -0.0006     -0.0000  0.0415 -0.0000 -0.0000  0.0008
  0.0000  0.0001  0.0000 -0.0006  0.5612      0.0195 -0.0028  0.0000 -0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4707  v = -0.0010 -0.4071  0.0017 -0.1450  0.0226  0.0014 -0.4158 -0.0006  0.0151  0.1370      0.0000 -0.1392 -0.0025  0.3820 -0.3931  0.0005 -0.0308 -0.0028 -0.3940 -0.3806
  o =  0.4731  v =  0.0046 -0.3840  0.0016 -0.1118  0.0023  0.0046  0.4152  0.0009 -0.0046  0.1051      0.0000 -0.1195 -0.0025  0.4112  0.3892  0.0013 -0.0093  0.0031  0.4378 -0.3604
  o =  0.5726  v = -0.3166 -0.4906  0.0988 -0.1248 -0.0003  0.2481 -0.3393 -0.0710 -0.1123 -0.0955      0.0000  0.0370 -0.1483 -0.2061  0.3930  0.0769 -0.1116 -0.3128 -0.0131  0.3060
  o =  0.5757  v = -0.1021 -0.1822 -0.1726 -0.1197  0.0011 -0.2250  0.3477 -0.1347  0.1752  0.0374      0.0000  0.1491  0.3800 -0.3886  0.1201 -0.0327  0.1715 -0.2770 -0.4293 -0.2588
  o =  0.5792  v =  0.3521 -0.1689  0.1717 -0.0502  0.0003 -0.2522 -0.0513 -0.0875 -0.1571  0.0578      0.0000  0.1133 -0.2493 -0.4210 -0.3355 -0.0617 -0.1572 -0.3262  0.3951 -0.2404
  o =  0.5835  v = -0.4328  0.2864  0.1097  0.0846  0.0001 -0.4781 -0.3134  0.0412 -0.0843  0.1166      0.0000  0.0231 -0.1971 -0.0731  0.3494 -0.1436 -0.0839  0.1362 -0.0069 -0.3864
  o =  0.6235  v =  0.4811 -0.3069 -0.1305 -0.0670 -0.0006 -0.3928 -0.2438  0.0927 -0.0548 -0.0596      0.0000  0.0096  0.2512 -0.0935  0.2789 -0.1051 -0.0544  0.4577 -0.0172  0.2245
  o =  0.6254  v =  0.1606 -0.0937  0.1299 -0.1497  0.0038  0.2884  0.2310  0.2725  0.0681 -0.0295      0.0000  0.1217 -0.5716 -0.2610  0.1120 -0.0467  0.0658  0.3730 -0.3230 -0.1942
  o =  0.6275  v = -0.3875 -0.1379 -0.2382 -0.0631  0.0006  0.2837 -0.0458  0.1525 -0.1279  0.0313      0.0000  0.0982  0.3271 -0.3379 -0.2691  0.0477 -0.1286  0.4308  0.3190 -0.1937
  o =  0.6316  v =  0.4131  0.2907 -0.1202  0.0841 -0.0003  0.4601 -0.3131 -0.0407 -0.0798  0.1185      0.0000  0.0275  0.2227 -0.0820  0.3567  0.1383 -0.0800 -0.1614 -0.0210 -0.3939
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0003 -0.0001 -0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0003  0.5504  0.0000 -0.0003  0.0001     -0.0000 -0.0000 -0.0001  0.0411 -0.0047
 -0.0001  0.0000  0.6072  0.0001  0.0000      0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5502 -0.0005      0.0001 -0.0411  0.0000  0.0000 -0.0007
  0.0000  0.0001  0.0000 -0.0005  0.5602     -0.0199  0.0047 -0.0000  0.0007 -0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0099  0.0087 -0.0000  0.0002 -0.0000     -0.0000 -0.0011 -0.0168 -0.0007 -0.0436
  0.0000  0.0000  0.0005 -0.0167  0.0002     -0.0000  0.0167 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0168  0.0067 -0.0437      0.0098 -0.0006  0.0000 -0.0013  0.0000
 -0.0000 -0.0002  0.0002  0.0445  0.0101     -0.0003  0.0449  0.0000 -0.0002 -0.0017
 
spin component  3
 
  0.0004 -0.0099  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0099  0.0087  0.0000  0.0002 -0.0002     -0.0000  0.0011 -0.0167  0.0006 -0.0449
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0067  0.0445      0.0099  0.0007  0.0000  0.0013  0.0002
 -0.0000 -0.0000  0.0002 -0.0437  0.0101      0.0003  0.0436 -0.0000 -0.0000  0.0017
 
spin component  4
 
  0.6042  0.0002 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0001 -0.0201
  0.0002  0.5561 -0.0000 -0.0002 -0.0000     -0.0000 -0.0000 -0.0001 -0.0443 -0.0048
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5563  0.0006      0.0001  0.0443  0.0000 -0.0000 -0.0008
 -0.0000 -0.0000 -0.0000  0.0006  0.5674      0.0201  0.0048  0.0000  0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4674  v =  0.0014  0.4900  0.0014  0.0777 -0.0123 -0.0036 -0.3489  0.0007 -0.0191 -0.0688      0.0000  0.0713 -0.0042 -0.4621 -0.3375 -0.0007  0.0059  0.0031 -0.3111  0.4445
  o =  0.4706  v = -0.0038 -0.3237 -0.0010 -0.0563 -0.0091  0.0070 -0.4672  0.0008 -0.0050  0.0512      0.0000 -0.0634  0.0032  0.3659 -0.4501  0.0011  0.0138  0.0048 -0.4956 -0.2907
  o =  0.5704  v = -0.3475  0.5143  0.0288  0.0970  0.0012 -0.2019 -0.3005  0.0651 -0.0350  0.0493      0.0000 -0.0519 -0.1078  0.2871  0.4150 -0.0393 -0.0357  0.3584 -0.0711 -0.2453
  o =  0.5762  v =  0.1106  0.1880 -0.1029  0.0555 -0.0011  0.3551  0.3652  0.0812  0.0952 -0.0410      0.0000 -0.0891  0.3124  0.4831 -0.0932  0.0420  0.0924  0.3542 -0.2236  0.3587
  o =  0.5804  v = -0.4270 -0.1406 -0.1442 -0.0373 -0.0028 -0.0753  0.1830 -0.0488  0.1144  0.0015      0.0000  0.0469  0.4496 -0.2368  0.3333 -0.0054  0.1139 -0.2426 -0.5244 -0.0516
  o =  0.5858  v =  0.4159  0.2478 -0.0905  0.0315 -0.0017 -0.5935  0.2905  0.0089  0.0580  0.0571      0.0000  0.0198  0.2821 -0.0831 -0.2460 -0.0915  0.0576  0.1224 -0.0661 -0.3670
  o =  0.6215  v =  0.4956  0.3206 -0.0476  0.0491 -0.0005  0.3259 -0.2345 -0.0857 -0.0169  0.0300      0.0000 -0.0201  0.1948  0.1415  0.3015  0.0548 -0.0174 -0.5348 -0.0494 -0.1902
  o =  0.6253  v =  0.0996 -0.1568 -0.2282  0.0365  0.0012  0.3583 -0.2444 -0.0106 -0.1229  0.0840      0.0000  0.0353  0.3867 -0.3883  0.0566  0.1098 -0.1266  0.5216  0.1610 -0.2661
  o =  0.6286  v =  0.3956 -0.1216  0.1618 -0.0425  0.0004  0.1198  0.1574  0.0767  0.1010 -0.0008      0.0000  0.0471 -0.5023 -0.2320  0.3257  0.0015  0.1036  0.2730 -0.4888 -0.0833
  o =  0.6372  v = -0.3156  0.3239  0.0642  0.0409  0.0001  0.4415  0.3499 -0.0071  0.0549  0.0761      0.0000  0.0283 -0.2101 -0.1336 -0.3613  0.0674  0.0560 -0.1138 -0.0124 -0.4993
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5487  0.0000 -0.0003  0.0002     -0.0000 -0.0000 -0.0001  0.0405 -0.0021
 -0.0001  0.0000  0.6071  0.0001  0.0000     -0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5493 -0.0007      0.0000 -0.0405  0.0000  0.0000 -0.0005
 -0.0000  0.0002  0.0000 -0.0007  0.5590     -0.0199  0.0021 -0.0000  0.0005  0.0000
 
spin component  2
 
  0.0002  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0043 -0.0000  0.0000  0.0000     -0.0000 -0.0009 -0.0169 -0.0004 -0.0438
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0036 -0.0431      0.0098 -0.0003  0.0000 -0.0010  0.0000
 -0.0000 -0.0002  0.0001  0.0450  0.0045     -0.0001  0.0445  0.0000 -0.0002 -0.0010
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0043  0.0000  0.0001 -0.0002     -0.0000  0.0009 -0.0166  0.0003 -0.0445
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0000 -0.0166  0.0036  0.0450      0.0099  0.0004  0.0000  0.0010  0.0002
 -0.0000  0.0000  0.0001 -0.0431  0.0045      0.0001  0.0438 -0.0000 -0.0000  0.0010
 
spin component  4
 
  0.6043  0.0001 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0201
  0.0001  0.5577 -0.0000 -0.0002 -0.0003     -0.0000  0.0000 -0.0001 -0.0447 -0.0023
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000     -0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5571  0.0007      0.0000  0.0447  0.0000 -0.0000 -0.0006
  0.0000 -0.0003 -0.0000  0.0007  0.5686      0.0201  0.0023  0.0000  0.0006 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4680  v =  0.0012  0.5351  0.0012  0.1213  0.0019 -0.0064 -0.2466  0.0003 -0.0033 -0.1081      0.0000  0.1182 -0.0023 -0.5244 -0.2422 -0.0014 -0.0071  0.0011 -0.2258  0.4772
  o =  0.4705  v = -0.0017 -0.2316 -0.0005 -0.0571  0.0126  0.0049 -0.5264  0.0005  0.0147  0.0498      0.0000 -0.0616  0.0010  0.2550 -0.5143  0.0013 -0.0111  0.0026 -0.5361 -0.2056
  o =  0.5722  v =  0.2383 -0.5578 -0.0056 -0.1404 -0.0000  0.0708  0.1304 -0.1230  0.0082 -0.0207      0.0000  0.1219  0.0151 -0.4811 -0.2667  0.0156  0.0087 -0.4888  0.1053  0.0814
  o =  0.5781  v = -0.4723 -0.0690  0.1401 -0.0083  0.0009 -0.3265 -0.3591 -0.0565 -0.1224  0.0907      0.0000  0.0861 -0.1724 -0.3366  0.4090 -0.0982 -0.1222 -0.2297 -0.0584 -0.3035
  o =  0.5798  v = -0.3715 -0.1412 -0.2813 -0.0600 -0.0023  0.1832  0.2062 -0.0299  0.2269 -0.0829      0.0000 -0.0039  0.4349 -0.0242  0.2984  0.0936  0.2270 -0.1027 -0.4977  0.1632
  o =  0.5837  v =  0.2451  0.2128 -0.1391  0.0355 -0.0015 -0.6076  0.3050  0.0030  0.0968  0.0734      0.0000  0.0297  0.3330 -0.1698 -0.1641 -0.1036  0.0969  0.0269 -0.1555 -0.4294
  o =  0.6229  v = -0.3399 -0.3689  0.0101 -0.0901  0.0002 -0.1182  0.1264  0.1802  0.0012 -0.0143      0.0000  0.0765 -0.0333 -0.2990 -0.2266 -0.0263  0.0016  0.7187  0.0852  0.0736
  o =  0.6266  v = -0.4658  0.0588  0.2248 -0.0032  0.0002 -0.3464  0.3134 -0.0607  0.1300 -0.0912      0.0000 -0.0778 -0.2344  0.3013 -0.3538 -0.1160  0.1310 -0.3185  0.0448  0.2664
  o =  0.6280  v =  0.3752 -0.1191  0.3466 -0.0639  0.0005 -0.1026  0.1536  0.0616  0.2143 -0.0730      0.0000  0.0039 -0.4914 -0.0516  0.3093 -0.0855  0.2168  0.1363 -0.4584  0.0936
  o =  0.6332  v = -0.2208  0.2657  0.1122  0.0445  0.0003  0.5304  0.3086 -0.0025  0.0844  0.0940      0.0000  0.0410 -0.2665 -0.2148 -0.2239  0.0945  0.0860 -0.0364 -0.0984 -0.5266
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054 -0.0000 -0.0001  0.0001 -0.0000     -0.0000 -0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5475 -0.0000 -0.0003 -0.0003      0.0000 -0.0000 -0.0000  0.0393 -0.0006
 -0.0001 -0.0000  0.6077  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001 -0.0003  0.0000  0.5474 -0.0000      0.0000 -0.0393 -0.0000  0.0000  0.0008
 -0.0000 -0.0003  0.0000 -0.0000  0.5551     -0.0196  0.0006 -0.0000 -0.0008 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0013 -0.0000 -0.0000  0.0001     -0.0000  0.0013 -0.0168 -0.0002 -0.0419
 -0.0000  0.0000  0.0001 -0.0165 -0.0000     -0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0168  0.0010 -0.0421      0.0097 -0.0001  0.0000  0.0016  0.0001
  0.0000 -0.0001 -0.0000  0.0433  0.0015     -0.0000  0.0434 -0.0000 -0.0002  0.0015
 
spin component  3
 
  0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0013  0.0000 -0.0000 -0.0001     -0.0000 -0.0013 -0.0165  0.0001 -0.0434
 -0.0000 -0.0000  0.0001  0.0168 -0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000 -0.0000 -0.0165  0.0010  0.0433      0.0097  0.0002  0.0000 -0.0016  0.0002
  0.0000  0.0001 -0.0000 -0.0421  0.0015      0.0000  0.0419  0.0000 -0.0001 -0.0015
 
spin component  4
 
  0.6060  0.0000 -0.0001 -0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0000  0.5580  0.0000 -0.0003  0.0003      0.0000 -0.0000 -0.0000 -0.0443 -0.0007
 -0.0001  0.0000  0.6083 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0003 -0.0000  0.5582  0.0000      0.0000  0.0443 -0.0000 -0.0000  0.0008
  0.0000  0.0003 -0.0000  0.0000  0.5666      0.0198  0.0007  0.0000 -0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4694  v = -0.0010 -0.3467  0.0012  0.4773  0.0220  0.0046  0.0921  0.0001  0.0161 -0.4251      0.0000  0.4768 -0.0004  0.3463  0.0993 -0.0064 -0.0274 -0.0001  0.0945 -0.3087
  o =  0.4716  v =  0.0010 -0.0724  0.0004  0.0645 -0.0067  0.0015 -0.5682 -0.0011 -0.0083 -0.0565      0.0000  0.0737  0.0000  0.0811 -0.5703 -0.0017  0.0049  0.0009 -0.5683 -0.0645
  o =  0.5716  v = -0.1130  0.3424  0.0064 -0.4791 -0.0004 -0.0023 -0.0586 -0.4275 -0.0064 -0.0073      0.0000  0.4708  0.0030  0.3398  0.1362  0.0071 -0.0052  0.3070 -0.0646 -0.0004
  o =  0.5770  v = -0.6132 -0.0091 -0.0260  0.0437 -0.0001 -0.1146 -0.3126  0.0947  0.0214 -0.0982      0.0000 -0.1346 -0.0143 -0.1167  0.5908  0.0946  0.0207 -0.0662 -0.2870 -0.1194
  o =  0.5805  v =  0.1131  0.1390 -0.5356 -0.0918  0.0001 -0.3197  0.0335 -0.0162  0.4348 -0.1876      0.0000 -0.0652 -0.0170 -0.1076 -0.0979  0.2057  0.4335  0.0183  0.0604 -0.2913
  o =  0.5824  v = -0.1272 -0.1542 -0.3901  0.1552 -0.0005  0.4044  0.0033  0.0128  0.2928  0.3334      0.0000  0.1404  0.0657  0.1425  0.0961 -0.4021  0.2934 -0.0108 -0.0952  0.3358
  o =  0.6230  v =  0.2101  0.2092 -0.0130 -0.3074 -0.0003  0.0090 -0.0585  0.6736 -0.0084 -0.0108      0.0000  0.2965 -0.0063  0.2015  0.1300 -0.0164 -0.0077 -0.4580 -0.0660 -0.0070
  o =  0.6256  v =  0.7147 -0.0166  0.0284  0.0530  0.0000  0.1407 -0.2575 -0.1740  0.0183 -0.0784      0.0000 -0.1270  0.0179 -0.1042  0.4916 -0.1181  0.0178  0.1163 -0.2382 -0.0944
  o =  0.6285  v = -0.1042  0.1205  0.6493 -0.0781  0.0006  0.2988  0.0321  0.0226  0.4014 -0.1491      0.0000 -0.0522  0.0125 -0.0896 -0.0816 -0.1868  0.4012 -0.0274  0.0471 -0.2376
  o =  0.6305  v = -0.1280  0.1722 -0.3580 -0.1701  0.0002  0.4243  0.0109  0.0124 -0.2423 -0.3515      0.0000 -0.1507  0.0650 -0.1577 -0.1126 -0.4121 -0.2428 -0.0074  0.0983 -0.3623
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054  0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000  0.0000  0.0195
  0.0001  0.5441 -0.0000 -0.0001  0.0000     -0.0000  0.0000  0.0001  0.0369  0.0021
 -0.0001 -0.0000  0.6079 -0.0001  0.0000     -0.0000 -0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5443  0.0002     -0.0000 -0.0369  0.0000 -0.0000  0.0001
  0.0000  0.0000  0.0000  0.0002  0.5518     -0.0195 -0.0021 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0038 -0.0000 -0.0001  0.0002     -0.0000  0.0002 -0.0169  0.0005 -0.0417
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0031 -0.0413      0.0097  0.0004  0.0000  0.0002  0.0002
  0.0000 -0.0000 -0.0000  0.0439 -0.0044      0.0001  0.0438  0.0000 -0.0000  0.0004
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0038  0.0000 -0.0001 -0.0000     -0.0000 -0.0002 -0.0164 -0.0004 -0.0438
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0031  0.0439      0.0097 -0.0005  0.0000 -0.0002  0.0000
  0.0000  0.0002 -0.0000 -0.0413 -0.0044     -0.0001  0.0417 -0.0000 -0.0002 -0.0004
 
spin component  4
 
  0.6065 -0.0001 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000  0.0000 -0.0199
 -0.0001  0.5619  0.0000 -0.0004 -0.0000     -0.0000 -0.0000  0.0001 -0.0465  0.0023
 -0.0001  0.0000  0.6088  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5615 -0.0003     -0.0000  0.0465 -0.0000 -0.0000  0.0001
 -0.0000 -0.0000  0.0000 -0.0003  0.5703      0.0199 -0.0023  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v =  0.0021 -0.5872  0.0003 -0.0605 -0.0116  0.0093 -0.1312 -0.0002 -0.0132  0.0513      0.0000 -0.0588 -0.0022  0.5824 -0.1356  0.0010  0.0096 -0.0005 -0.1105 -0.5079
  o =  0.4722  v = -0.0036 -0.1212  0.0001 -0.0284 -0.0138  0.0037  0.5533  0.0000 -0.0137  0.0237      0.0000 -0.0291 -0.0006  0.1441  0.5771  0.0006  0.0134  0.0025  0.5585 -0.1030
  o =  0.5673  v =  0.1408  0.6102 -0.0031  0.0316 -0.0003 -0.0248  0.0893  0.0238  0.0052  0.0045      0.0000 -0.0286  0.0038  0.5760 -0.1923 -0.0011  0.0046  0.4682  0.0864 -0.0358
  o =  0.5756  v =  0.5723 -0.0714 -0.0159  0.0015 -0.0002 -0.1686  0.3295 -0.0082  0.0173  0.0206      0.0000  0.0164  0.0226 -0.2415 -0.5736 -0.0194  0.0176 -0.1557  0.2838 -0.1891
  o =  0.5824  v =  0.1764 -0.1841  0.0926 -0.0336  0.0016  0.4894 -0.2721  0.0023 -0.0691 -0.0799      0.0000 -0.0318 -0.4474  0.1581 -0.1342  0.0920 -0.0694 -0.0198  0.4032  0.4244
  o =  0.5854  v =  0.1274 -0.1673 -0.0070  0.0009 -0.0023  0.4913  0.3987 -0.0011  0.0057  0.0067      0.0000  0.0053  0.5413  0.1503 -0.0834 -0.0087  0.0047 -0.0071 -0.3191  0.3616
  o =  0.6215  v = -0.3072  0.3317  0.0091  0.0101 -0.0000  0.0684  0.0926 -0.0258  0.0028  0.0009      0.0000 -0.0094 -0.0076  0.2991 -0.1724  0.0066  0.0024 -0.8094  0.0761 -0.0342
  o =  0.6246  v =  0.6892  0.0878 -0.0240 -0.0014  0.0001 -0.2171 -0.2449 -0.0090 -0.0105 -0.0138      0.0000 -0.0113  0.0284  0.2123  0.4441 -0.0208 -0.0106 -0.3148 -0.2201  0.1336
  o =  0.6304  v = -0.1480 -0.1711 -0.0975 -0.0296 -0.0010 -0.4402 -0.2924  0.0023 -0.0644 -0.0695      0.0000 -0.0304  0.5321  0.1479 -0.1285 -0.0819 -0.0668  0.0136  0.4189  0.3754
  o =  0.6341  v =  0.1183  0.2157 -0.0087  0.0017 -0.0007  0.4778 -0.4037 -0.0026 -0.0056  0.0027      0.0000  0.0001  0.4506 -0.1957  0.1174  0.0029 -0.0075 -0.0173  0.2898 -0.4567
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6059 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5578  0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0440 -0.0002
 -0.0001  0.0000  0.6082  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5577 -0.0001      0.0000 -0.0440  0.0000  0.0000 -0.0003
 -0.0000 -0.0000  0.0000 -0.0001  0.5660     -0.0198  0.0002 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0006 -0.0000  0.0001  0.0001     -0.0000 -0.0004 -0.0165 -0.0000 -0.0432
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0006 -0.0433      0.0097  0.0000  0.0000 -0.0005  0.0001
 -0.0000 -0.0002  0.0000  0.0422  0.0005     -0.0000  0.0424  0.0000 -0.0002 -0.0007
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0006  0.0000  0.0001 -0.0002     -0.0000  0.0004 -0.0168 -0.0000 -0.0424
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0168  0.0006  0.0422      0.0097  0.0000  0.0000  0.0005  0.0002
 -0.0000  0.0001  0.0000 -0.0433  0.0005      0.0000  0.0432 -0.0000 -0.0001  0.0007
 
spin component  4
 
  0.6053  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5476 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0396 -0.0002
 -0.0001 -0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5477  0.0001      0.0000  0.0396  0.0000 -0.0000 -0.0002
  0.0000 -0.0000 -0.0000  0.0001  0.5557      0.0196  0.0002  0.0000  0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4693  v = -0.0078  0.0344  0.0002  0.0437  0.0041  0.0002 -0.5955  0.0003  0.0037 -0.0439      0.0000  0.0405 -0.0000 -0.0302 -0.5310  0.0002 -0.0053  0.0005 -0.5955  0.0340
  o =  0.4714  v =  0.0010  0.3867  0.0006  0.4248  0.0038  0.0006  0.0563 -0.0000  0.0014 -0.4263      0.0000  0.4245 -0.0001 -0.3860  0.0480  0.0008 -0.0068  0.0001  0.0566  0.3877
  o =  0.5721  v = -0.0052  0.0273  0.4602  0.0109  0.0018 -0.0438 -0.3154  0.0003 -0.5034  0.0213      0.0000  0.0083 -0.2852 -0.0186  0.0092 -0.0179 -0.5023  0.0036  0.3081 -0.0514
  o =  0.5775  v =  0.0720 -0.1648  0.0495 -0.3020  0.0001  0.2999  0.0386 -0.0321 -0.0457 -0.5402      0.0000 -0.2419  0.0063  0.1212 -0.0724  0.5704 -0.0447 -0.0216  0.0271  0.2838
  o =  0.5806  v = -0.2972  0.3822 -0.0017  0.2422  0.0000  0.0230 -0.1094  0.3368 -0.0009 -0.0581      0.0000 -0.3007  0.0065  0.3999  0.2675  0.0722 -0.0004  0.4855 -0.1203  0.0176
  o =  0.5814  v =  0.6274  0.2004  0.0024  0.1496  0.0003 -0.0310  0.2374  0.1697 -0.0001  0.0360      0.0000 -0.1154 -0.0010  0.1767 -0.5420 -0.0431  0.0001  0.2416  0.2394 -0.0258
  o =  0.6233  v = -0.0120 -0.0213  0.8087 -0.0140  0.0007 -0.0622  0.0977 -0.0012  0.3694 -0.0328      0.0000 -0.0172 -0.2090  0.0156 -0.0049 -0.0523  0.3701  0.0072 -0.0936  0.0390
  o =  0.6260  v =  0.0814  0.1396  0.0811  0.2543  0.0005  0.3515 -0.0312 -0.0417  0.0433  0.4638      0.0000  0.2107  0.0098 -0.1076  0.0559  0.6604  0.0433 -0.0321 -0.0212 -0.2465
  o =  0.6286  v = -0.2329 -0.3554  0.0023 -0.2218  0.0001  0.0185  0.0773  0.3990  0.0001  0.0524      0.0000  0.2745  0.0090 -0.3716 -0.1854  0.0639 -0.0002  0.5848  0.0878 -0.0161
  o =  0.6296  v = -0.6722  0.1408 -0.0006  0.1080  0.0002  0.0306  0.2513 -0.1372 -0.0021  0.0397      0.0000 -0.0699  0.0009  0.1165 -0.5546  0.0478 -0.0019 -0.1982  0.2529 -0.0258
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6061 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5591 -0.0000 -0.0002  0.0002     -0.0000  0.0000 -0.0000  0.0451 -0.0004
 -0.0001 -0.0000  0.6083  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5592 -0.0001      0.0000 -0.0451  0.0000 -0.0000 -0.0004
  0.0000  0.0002 -0.0000 -0.0001  0.5676     -0.0198  0.0004 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008 -0.0000 -0.0000  0.0002     -0.0000 -0.0007 -0.0165  0.0000 -0.0436
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0165  0.0005 -0.0435      0.0097  0.0000  0.0000 -0.0009  0.0002
 -0.0000 -0.0001  0.0000  0.0422  0.0007     -0.0000  0.0420  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000 -0.0001 -0.0001     -0.0000  0.0007 -0.0169 -0.0000 -0.0420
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0000 -0.0169  0.0005  0.0422      0.0097 -0.0000  0.0000  0.0009  0.0001
 -0.0000  0.0002  0.0000 -0.0435  0.0007      0.0000  0.0436 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6053  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5467  0.0000 -0.0003 -0.0002     -0.0000  0.0000 -0.0000 -0.0391 -0.0004
 -0.0001  0.0000  0.6077 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5465  0.0001      0.0000  0.0391  0.0000  0.0000 -0.0004
 -0.0000 -0.0002  0.0000  0.0001  0.5543      0.0196  0.0004  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v = -0.0087  0.0321  0.0001  0.0269 -0.0033  0.0003 -0.5985  0.0006 -0.0045 -0.0269      0.0000  0.0223  0.0000 -0.0284 -0.5276  0.0004  0.0028  0.0004 -0.5987  0.0323
  o =  0.4713  v =  0.0011  0.3994  0.0007  0.4115 -0.0041  0.0014  0.0426  0.0001 -0.0075 -0.4173      0.0000  0.4106  0.0001 -0.3990  0.0343  0.0013  0.0012  0.0000  0.0420  0.4055
  o =  0.5710  v = -0.0095  0.0090  0.4698  0.0291 -0.0011 -0.0252  0.2641 -0.0024 -0.5307  0.0682      0.0000  0.0337  0.2388 -0.0197  0.0146 -0.0559 -0.5315 -0.0056 -0.2760 -0.0308
  o =  0.5769  v =  0.0525 -0.2724  0.0654 -0.1866 -0.0002  0.5224  0.0216 -0.0052 -0.0609 -0.3520      0.0000 -0.1730 -0.0039  0.2410 -0.0549  0.3658 -0.0620 -0.0157  0.0288  0.5030
  o =  0.5816  v = -0.5089  0.1936 -0.0003  0.2757  0.0001  0.0512 -0.1941  0.3687 -0.0023 -0.0205      0.0000 -0.2953 -0.0049  0.2321  0.4444  0.0280 -0.0026  0.2747 -0.1858  0.0388
  o =  0.5825  v =  0.4873  0.2319  0.0111  0.3087 -0.0002 -0.0185  0.1789  0.4026 -0.0071  0.0198      0.0000 -0.2913  0.0026  0.2175 -0.4049 -0.0239 -0.0074  0.3014  0.1748 -0.0162
  o =  0.6229  v = -0.0179 -0.0132  0.7953 -0.0269 -0.0010 -0.0651 -0.1139 -0.0052  0.3517 -0.0618      0.0000 -0.0331  0.2653  0.0257 -0.0077 -0.1008  0.3507 -0.0098  0.1205  0.0400
  o =  0.6255  v =  0.0658  0.2225  0.1212  0.1609 -0.0004  0.6050 -0.0185 -0.0133  0.0625  0.3068      0.0000  0.1497 -0.0043 -0.1972  0.0437  0.4480  0.0626 -0.0258 -0.0226 -0.4147
  o =  0.6295  v = -0.4102 -0.2126  0.0108 -0.3042 -0.0002  0.0453  0.1538  0.4840  0.0045  0.0201      0.0000  0.3240 -0.0061 -0.2514 -0.3379  0.0226  0.0047  0.3573  0.1465 -0.0388
  o =  0.6306  v = -0.5725  0.1786 -0.0108  0.2377 -0.0001  0.0261  0.2228 -0.3335 -0.0078  0.0241      0.0000 -0.2153 -0.0022  0.1576 -0.4896  0.0277 -0.0080 -0.2476  0.2190 -0.0225
     EDDAV:  cpu time   75.6327: real time   76.4374
       DOS:  cpu time    0.0471: real time    0.0473
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.062   0.061   0.000   0.123
    2        0.062   0.061   0.000   0.123
    3        0.062   0.061   0.000   0.124
    4        0.062   0.061   0.000   0.124
    5        0.062   0.061   0.000   0.123
    6        0.062   0.061   0.000   0.123
    7        0.062   0.061   0.000   0.123
    8        0.062   0.061   0.000   0.123
    9        0.062   0.061   0.000   0.123
   10        0.062   0.061   0.000   0.123
   11        0.062   0.061   0.000   0.123
   12        0.062   0.061   0.000   0.123
   13        0.062   0.061   0.000   0.123
   14        0.062   0.061   0.000   0.123
   15        0.062   0.061   0.000   0.124
   16        0.062   0.061   0.000   0.123
   17        0.718   1.187   5.662   7.568
   18        0.718   1.187   5.688   7.594
   19        0.718   1.187   5.683   7.589
   20        0.719   1.188   5.685   7.591
   21        0.720   1.191   5.684   7.596
   22        0.720   1.192   5.685   7.596
   23        0.717   1.183   5.675   7.574
   24        0.717   1.183   5.674   7.573
   25        0.720   1.191   5.682   7.594
   26        0.720   1.191   5.685   7.597
   27        0.717   1.182   5.674   7.573
   28        0.717   1.182   5.680   7.579
   29        0.718   1.187   5.691   7.596
   30        0.718   1.187   5.674   7.580
   31        0.718   1.187   5.699   7.604
   32        0.718   1.187   5.685   7.590
   33        1.998   5.621   0.237   7.856
   34        1.998   5.621   0.237   7.856
   35        1.998   5.621   0.237   7.856
   36        1.998   5.621   0.237   7.856
   37        1.998   5.621   0.237   7.856
   38        1.998   5.621   0.237   7.856
   39        1.998   5.621   0.237   7.856
   40        1.998   5.621   0.237   7.856
   41        1.998   5.621   0.237   7.856
   42        1.998   5.621   0.237   7.856
   43        1.998   5.621   0.237   7.856
   44        1.998   5.621   0.237   7.856
   45        1.998   5.621   0.237   7.856
   46        1.998   5.621   0.237   7.856
   47        1.998   5.621   0.237   7.856
   48        1.998   5.621   0.237   7.856
   49        1.998   5.621   0.237   7.856
   50        1.998   5.621   0.237   7.856
   51        1.998   5.621   0.237   7.855
   52        1.998   5.621   0.237   7.856
   53        1.998   5.621   0.237   7.856
   54        1.998   5.621   0.237   7.856
   55        1.998   5.621   0.237   7.856
   56        1.998   5.621   0.237   7.856
   57        1.998   5.621   0.237   7.856
   58        1.998   5.621   0.237   7.856
   59        1.998   5.621   0.237   7.856
   60        1.998   5.621   0.237   7.856
   61        1.998   5.621   0.237   7.856
   62        1.998   5.621   0.237   7.856
   63        1.998   5.621   0.237   7.856
   64        1.998   5.621   0.237   7.856
   65        1.568   3.415   0.000   4.982
   66        1.568   3.417   0.000   4.985
   67        1.568   3.417   0.000   4.985
   68        1.568   3.417   0.000   4.985
   69        1.568   3.417   0.000   4.985
   70        1.568   3.415   0.000   4.983
   71        1.568   3.417   0.000   4.985
   72        1.568   3.417   0.000   4.985
   73        1.568   3.415   0.000   4.982
   74        1.568   3.417   0.000   4.985
   75        1.568   3.417   0.000   4.984
   76        1.568   3.417   0.000   4.985
   77        1.568   3.417   0.000   4.985
   78        1.568   3.415   0.000   4.982
   79        1.568   3.417   0.000   4.985
   80        1.568   3.417   0.000   4.984
   81        1.568   3.417   0.000   4.985
   82        1.568   3.419   0.000   4.987
   83        1.568   3.419   0.000   4.987
   84        1.568   3.419   0.000   4.987
   85        1.568   3.419   0.000   4.987
   86        1.568   3.419   0.000   4.987
   87        1.568   3.420   0.000   4.988
   88        1.568   3.417   0.000   4.985
   89        1.568   3.417   0.000   4.984
   90        1.568   3.417   0.000   4.985
   91        1.567   3.416   0.000   4.984
   92        1.567   3.416   0.000   4.984
   93        1.568   3.417   0.000   4.984
   94        1.568   3.417   0.000   4.984
   95        1.567   3.416   0.000   4.984
   96        1.567   3.416   0.000   4.984
   97        1.568   3.416   0.000   4.984
   98        1.568   3.417   0.000   4.984
   99        1.567   3.416   0.000   4.983
  100        1.567   3.416   0.000   4.983
  101        1.568   3.417   0.000   4.984
  102        1.568   3.417   0.000   4.984
  103        1.567   3.416   0.000   4.983
  104        1.567   3.416   0.000   4.983
  105        1.568   3.419   0.000   4.987
  106        1.568   3.419   0.000   4.987
  107        1.568   3.418   0.000   4.986
  108        1.568   3.417   0.000   4.985
  109        1.568   3.419   0.000   4.987
  110        1.568   3.419   0.000   4.987
  111        1.568   3.417   0.000   4.985
  112        1.568   3.417   0.000   4.985
  113        1.568   3.416   0.000   4.984
  114        1.568   3.417   0.000   4.985
  115        1.567   3.416   0.000   4.984
  116        1.567   3.417   0.000   4.984
  117        1.568   3.417   0.000   4.984
  118        1.568   3.417   0.000   4.984
  119        1.567   3.416   0.000   4.984
  120        1.567   3.417   0.000   4.984
  121        1.568   3.417   0.000   4.984
  122        1.568   3.417   0.000   4.985
  123        1.567   3.416   0.000   4.983
  124        1.567   3.417   0.000   4.984
  125        1.568   3.417   0.000   4.985
  126        1.568   3.417   0.000   4.984
  127        1.567   3.417   0.000   4.984
  128        1.567   3.416   0.000   4.983
  129        1.568   3.418   0.000   4.986
  130        1.568   3.419   0.000   4.987
  131        1.568   3.418   0.000   4.986
  132        1.568   3.418   0.000   4.986
  133        1.568   3.419   0.000   4.987
  134        1.568   3.419   0.000   4.987
  135        1.568   3.418   0.000   4.985
  136        1.568   3.418   0.000   4.986
  137        1.568   3.417   0.000   4.985
  138        1.568   3.416   0.000   4.984
  139        1.568   3.418   0.000   4.986
  140        1.568   3.417   0.000   4.985
  141        1.568   3.417   0.000   4.985
  142        1.568   3.416   0.000   4.984
  143        1.568   3.418   0.000   4.986
  144        1.568   3.417   0.000   4.985
  145        1.568   3.417   0.000   4.985
  146        1.568   3.416   0.000   4.983
  147        1.568   3.418   0.000   4.986
  148        1.568   3.417   0.000   4.984
  149        1.568   3.417   0.000   4.985
  150        1.568   3.416   0.000   4.983
  151        1.568   3.418   0.000   4.986
  152        1.568   3.417   0.000   4.984
  153        1.568   3.420   0.000   4.988
  154        1.568   3.418   0.000   4.986
  155        1.568   3.421   0.000   4.989
  156        1.568   3.419   0.000   4.987
  157        1.568   3.419   0.000   4.987
  158        1.568   3.421   0.000   4.989
  159        1.568   3.418   0.000   4.986
  160        1.568   3.420   0.000   4.988
--------------------------------------------------
tot        226.904 527.914  98.496 853.314
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17        0.000   0.000   0.014   0.014
   18       -0.000  -0.000  -0.022  -0.022
   19        0.000   0.000   0.005   0.005
   20        0.000   0.000   0.004   0.004
   21       -0.000  -0.000  -0.025  -0.025
   22       -0.000  -0.000  -0.035  -0.035
   23        0.000   0.000   0.057   0.058
   24        0.000   0.000   0.022   0.022
   25       -0.000  -0.000  -0.025  -0.026
   26       -0.000  -0.000  -0.035  -0.036
   27        0.000   0.000   0.054   0.055
   28        0.000   0.000   0.027   0.028
   29        0.000   0.000   0.008   0.009
   30       -0.000  -0.000  -0.024  -0.024
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.004   0.004
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.001
   35        0.000   0.000   0.000   0.001
   36        0.000   0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38       -0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000   0.000   0.001   0.001
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000  -0.000  -0.000  -0.001
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.001
   45       -0.000  -0.000  -0.000  -0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48        0.000   0.000   0.000   0.000
   49       -0.000  -0.000  -0.000  -0.000
   50       -0.000  -0.000  -0.000  -0.000
   51        0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58       -0.000  -0.000  -0.000  -0.000
   59        0.000   0.000   0.000   0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66       -0.000  -0.001   0.000  -0.001
   67        0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69       -0.000  -0.001   0.000  -0.001
   70        0.000   0.001   0.000   0.001
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74       -0.000  -0.002   0.000  -0.002
   75        0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77       -0.000  -0.001   0.000  -0.002
   78        0.000   0.001   0.000   0.001
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.001   0.000   0.001
   82       -0.000  -0.001   0.000  -0.001
   83        0.000  -0.000   0.000  -0.000
   84        0.000  -0.000   0.000  -0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.002   0.000  -0.002
   88        0.000   0.000   0.000   0.000
   89       -0.000  -0.002   0.000  -0.002
   90       -0.000  -0.002   0.000  -0.002
   91        0.000   0.004   0.000   0.004
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.002   0.000  -0.003
   94       -0.000  -0.002   0.000  -0.002
   95        0.000   0.002   0.000   0.002
   96        0.000   0.004   0.000   0.004
   97       -0.000  -0.002   0.000  -0.002
   98       -0.000  -0.002   0.000  -0.002
   99        0.000   0.004   0.000   0.004
  100        0.000   0.002   0.000   0.002
  101       -0.000  -0.002   0.000  -0.002
  102       -0.000  -0.002   0.000  -0.002
  103        0.000   0.004   0.000   0.004
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.001   0.000  -0.001
  106       -0.000  -0.002   0.000  -0.002
  107        0.000   0.003   0.000   0.003
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.001   0.000  -0.001
  110       -0.000  -0.002   0.000  -0.002
  111        0.000   0.003   0.000   0.003
  112        0.000   0.001   0.000   0.001
  113       -0.000  -0.002   0.000  -0.002
  114       -0.000  -0.003   0.000  -0.003
  115        0.000   0.004   0.000   0.004
  116        0.000   0.002   0.000   0.002
  117       -0.000  -0.002   0.000  -0.002
  118       -0.000  -0.002   0.000  -0.002
  119        0.000   0.004   0.000   0.004
  120        0.000   0.002   0.000   0.002
  121       -0.000  -0.002   0.000  -0.002
  122       -0.000  -0.002   0.000  -0.002
  123        0.000   0.004   0.000   0.004
  124        0.000   0.002   0.000   0.002
  125       -0.000  -0.002   0.000  -0.002
  126       -0.000  -0.002   0.000  -0.002
  127        0.000   0.002   0.000   0.002
  128        0.000   0.004   0.000   0.004
  129       -0.000  -0.002   0.000  -0.002
  130       -0.000  -0.002   0.000  -0.002
  131        0.000   0.003   0.000   0.003
  132        0.000   0.002   0.000   0.002
  133       -0.000  -0.001   0.000  -0.001
  134       -0.000  -0.002   0.000  -0.002
  135        0.000   0.003   0.000   0.003
  136        0.000   0.001   0.000   0.002
  137        0.000   0.001   0.000   0.001
  138       -0.000  -0.002   0.000  -0.002
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141        0.000   0.001   0.000   0.001
  142       -0.000  -0.002   0.000  -0.002
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145        0.000   0.001   0.000   0.001
  146       -0.000  -0.002   0.000  -0.002
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149        0.000   0.001   0.000   0.001
  150       -0.000  -0.002   0.000  -0.002
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153        0.000   0.001   0.000   0.001
  154       -0.000  -0.001   0.000  -0.001
  155        0.000  -0.000   0.000  -0.000
  156        0.000  -0.000   0.000  -0.000
  157        0.000   0.001   0.000   0.001
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.002   0.000  -0.002
  160        0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.001   0.014   0.035   0.050
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.016  -0.017
   18        0.000   0.000   0.000   0.000
   19        0.000   0.000   0.002   0.002
   20        0.000   0.000   0.008   0.008
   21       -0.000  -0.000  -0.002  -0.002
   22       -0.000  -0.000  -0.011  -0.011
   23        0.000   0.000   0.009   0.009
   24        0.000   0.000   0.009   0.009
   25       -0.000  -0.000  -0.001  -0.001
   26       -0.000  -0.000  -0.010  -0.010
   27        0.000   0.000   0.009   0.009
   28        0.000   0.000   0.006   0.007
   29       -0.000  -0.000  -0.010  -0.010
   30       -0.000  -0.000  -0.002  -0.002
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.005   0.005
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38        0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000   0.000  -0.000  -0.000
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000   0.000  -0.000  -0.000
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.000
   45        0.000   0.000   0.000   0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48       -0.000   0.000  -0.000  -0.000
   49       -0.000  -0.000  -0.000  -0.000
   50        0.000  -0.000  -0.000  -0.000
   51       -0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58        0.000  -0.000  -0.000  -0.000
   59       -0.000   0.000  -0.000  -0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66       -0.000  -0.000   0.000  -0.000
   67        0.000   0.000   0.000   0.000
   68        0.000   0.001   0.000   0.001
   69       -0.000  -0.000   0.000  -0.000
   70       -0.000  -0.001   0.000  -0.001
   71        0.000   0.001   0.000   0.001
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75        0.000   0.000   0.000   0.000
   76        0.000   0.001   0.000   0.001
   77        0.000   0.000   0.000   0.000
   78       -0.000  -0.001   0.000  -0.001
   79        0.000   0.001   0.000   0.001
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83        0.000   0.000   0.000   0.000
   84        0.000   0.000   0.000   0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.000   0.000  -0.000
   88       -0.000  -0.001   0.000  -0.001
   89       -0.000  -0.000   0.000  -0.000
   90       -0.000  -0.001   0.000  -0.001
   91        0.000   0.001   0.000   0.001
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.001   0.000  -0.001
   94       -0.000  -0.000   0.000  -0.000
   95        0.000   0.001   0.000   0.001
   96        0.000   0.001   0.000   0.001
   97        0.000  -0.000   0.000  -0.000
   98       -0.000  -0.001   0.000  -0.001
   99        0.000   0.000   0.000   0.000
  100        0.000   0.000   0.000   0.000
  101       -0.000   0.000   0.000   0.000
  102       -0.000  -0.001   0.000  -0.001
  103        0.000   0.000   0.000   0.000
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.001   0.000   0.001
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.000   0.000  -0.000
  110       -0.000  -0.001   0.000  -0.001
  111        0.000   0.000   0.000   0.000
  112        0.000   0.000   0.000   0.000
  113       -0.000  -0.000   0.000  -0.000
  114       -0.000  -0.001   0.000  -0.001
  115        0.000   0.001   0.000   0.001
  116        0.000   0.001   0.000   0.001
  117       -0.000  -0.000   0.000  -0.000
  118       -0.000  -0.001   0.000  -0.001
  119        0.000   0.001   0.000   0.001
  120        0.000   0.001   0.000   0.001
  121       -0.000   0.000   0.000   0.000
  122       -0.000  -0.001   0.000  -0.001
  123        0.000   0.000   0.000   0.000
  124        0.000   0.000   0.000   0.000
  125       -0.000  -0.001   0.000  -0.001
  126       -0.000  -0.000   0.000  -0.000
  127        0.000   0.000   0.000   0.000
  128        0.000   0.000   0.000   0.000
  129       -0.000  -0.000   0.000  -0.000
  130       -0.000  -0.001   0.000  -0.001
  131        0.000   0.001   0.000   0.001
  132        0.000   0.000   0.000   0.000
  133       -0.000  -0.000   0.000  -0.000
  134       -0.000  -0.000   0.000  -0.000
  135        0.000   0.000   0.000   0.000
  136        0.000   0.000   0.000   0.000
  137       -0.000  -0.001   0.000  -0.001
  138       -0.000  -0.000   0.000  -0.000
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141       -0.000  -0.001   0.000  -0.001
  142       -0.000  -0.000   0.000  -0.000
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145       -0.000  -0.001   0.000  -0.001
  146       -0.000  -0.000   0.000  -0.000
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149       -0.000  -0.001   0.000  -0.001
  150       -0.000  -0.000   0.000  -0.000
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.000   0.000   0.000
  155        0.000   0.000   0.000   0.000
  156        0.000   0.000   0.000   0.000
  157        0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000  -0.000   0.000  -0.000
  160       -0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.000   0.000  -0.000  -0.000
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17       -0.000  -0.000  -0.054  -0.055
   18       -0.000  -0.000  -0.043  -0.043
   19        0.000   0.000   0.043   0.044
   20        0.000   0.000   0.061   0.062
   21        0.000   0.000   0.038   0.038
   22       -0.000  -0.000  -0.004  -0.004
   23       -0.000  -0.000  -0.016  -0.016
   24       -0.000  -0.000  -0.036  -0.036
   25        0.000   0.000   0.036   0.037
   26       -0.000  -0.000  -0.003  -0.003
   27       -0.000  -0.000  -0.020  -0.020
   28       -0.000  -0.000  -0.028  -0.029
   29       -0.000  -0.000  -0.035  -0.036
   30       -0.000  -0.000  -0.056  -0.056
   31        0.000   0.000   0.034   0.034
   32        0.000   0.000   0.041   0.042
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000   0.000  -0.000  -0.000
   35        0.000  -0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37        0.000  -0.000   0.000   0.000
   38        0.000   0.000   0.001   0.001
   39       -0.000  -0.000  -0.001  -0.001
   40       -0.000  -0.000  -0.000  -0.001
   41       -0.000  -0.000  -0.000  -0.001
   42       -0.000   0.000  -0.000  -0.000
   43        0.000  -0.000   0.000   0.000
   44        0.000  -0.000   0.000   0.000
   45        0.000   0.000   0.001   0.001
   46        0.000   0.000   0.000   0.000
   47       -0.000  -0.000  -0.000  -0.001
   48       -0.000  -0.000  -0.001  -0.001
   49        0.000   0.000   0.000   0.001
   50        0.000   0.000   0.000   0.001
   51       -0.000  -0.000  -0.001  -0.001
   52       -0.000  -0.000  -0.000  -0.001
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000  -0.000   0.000   0.000
   57        0.000   0.000   0.000   0.001
   58        0.000   0.000   0.000   0.001
   59       -0.000  -0.000  -0.001  -0.001
   60       -0.000  -0.000  -0.000  -0.001
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.003   0.000  -0.003
   66       -0.000  -0.003   0.000  -0.003
   67        0.000   0.003   0.000   0.003
   68        0.000   0.004   0.000   0.004
   69       -0.000  -0.003   0.000  -0.003
   70       -0.000  -0.003   0.000  -0.003
   71        0.000   0.004   0.000   0.004
   72        0.000   0.003   0.000   0.003
   73       -0.000  -0.003   0.000  -0.003
   74       -0.000  -0.003   0.000  -0.003
   75        0.000   0.003   0.000   0.003
   76        0.000   0.004   0.000   0.004
   77       -0.000  -0.003   0.000  -0.003
   78       -0.000  -0.003   0.000  -0.003
   79        0.000   0.004   0.000   0.004
   80        0.000   0.003   0.000   0.003
   81       -0.000  -0.003   0.000  -0.003
   82       -0.000  -0.003   0.000  -0.003
   83        0.000   0.003   0.000   0.003
   84        0.000   0.004   0.000   0.004
   85        0.000   0.003   0.000   0.003
   86        0.000   0.002   0.000   0.002
   87       -0.000  -0.002   0.000  -0.002
   88       -0.000  -0.003   0.000  -0.003
   89        0.000   0.002   0.000   0.002
   90       -0.000  -0.000   0.000  -0.000
   91       -0.000  -0.001   0.000  -0.001
   92       -0.000  -0.002   0.000  -0.002
   93       -0.000  -0.000   0.000  -0.000
   94        0.000   0.002   0.000   0.002
   95       -0.000  -0.002   0.000  -0.002
   96       -0.000  -0.001   0.000  -0.001
   97        0.000   0.002   0.000   0.002
   98       -0.000  -0.000   0.000  -0.000
   99       -0.000  -0.001   0.000  -0.001
  100       -0.000  -0.002   0.000  -0.002
  101        0.000   0.002   0.000   0.002
  102       -0.000  -0.000   0.000  -0.000
  103       -0.000  -0.001   0.000  -0.001
  104       -0.000  -0.002   0.000  -0.002
  105        0.000   0.002   0.000   0.002
  106       -0.000  -0.001   0.000  -0.001
  107       -0.000  -0.000   0.000  -0.000
  108       -0.000  -0.001   0.000  -0.001
  109        0.000   0.003   0.000   0.003
  110       -0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.003   0.000  -0.003
  113        0.000   0.002   0.000   0.002
  114       -0.000  -0.000   0.000  -0.000
  115       -0.000  -0.001   0.000  -0.001
  116       -0.000  -0.002   0.000  -0.002
  117        0.000   0.002   0.000   0.002
  118       -0.000  -0.000   0.000  -0.000
  119       -0.000  -0.001   0.000  -0.001
  120       -0.000  -0.002   0.000  -0.002
  121        0.000   0.002   0.000   0.002
  122       -0.000  -0.000   0.000  -0.000
  123       -0.000  -0.001   0.000  -0.001
  124       -0.000  -0.002   0.000  -0.002
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.002   0.000   0.002
  127       -0.000  -0.002   0.000  -0.002
  128       -0.000  -0.001   0.000  -0.001
  129        0.000   0.001   0.000   0.001
  130       -0.000  -0.001   0.000  -0.001
  131       -0.000  -0.000   0.000  -0.000
  132       -0.000  -0.001   0.000  -0.001
  133        0.000   0.003   0.000   0.003
  134       -0.000   0.000   0.000   0.000
  135       -0.000  -0.002   0.000  -0.002
  136       -0.000  -0.002   0.000  -0.002
  137       -0.000  -0.002   0.000  -0.002
  138       -0.000  -0.004   0.000  -0.004
  139        0.000   0.002   0.000   0.002
  140        0.000   0.003   0.000   0.003
  141       -0.000  -0.002   0.000  -0.002
  142       -0.000  -0.003   0.000  -0.004
  143        0.000   0.002   0.000   0.002
  144        0.000   0.003   0.000   0.003
  145       -0.000  -0.002   0.000  -0.002
  146       -0.000  -0.004   0.000  -0.004
  147        0.000   0.002   0.000   0.002
  148        0.000   0.003   0.000   0.003
  149       -0.000  -0.002   0.000  -0.002
  150       -0.000  -0.003   0.000  -0.004
  151        0.000   0.002   0.000   0.002
  152        0.000   0.003   0.000   0.003
  153       -0.000  -0.002   0.000  -0.002
  154       -0.000  -0.003   0.000  -0.003
  155        0.000   0.002   0.000   0.002
  156        0.000   0.002   0.000   0.002
  157        0.000   0.002   0.000   0.002
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.003   0.000  -0.003
  160       -0.000  -0.002   0.000  -0.002
--------------------------------------------------
tot         -0.001  -0.017  -0.043  -0.060
 
    CHARGE:  cpu time    1.1622: real time    1.1724
    MIXING:  cpu time    0.0374: real time    0.0377
    --------------------------------------------
      LOOP:  cpu time   77.7863: real time   78.6092

 eigenvalue-minimisations  : 13624
 total energy-change (2. order) : 0.1575881E-02  (-0.2838875E-03)
 number of electron    1039.9999692 magnetization       0.0477208     -0.0011071     -0.0620665
 augmentation part       28.5469607 magnetization       0.0084237     -0.0012860     -0.0150117

 Broyden mixing:
  rms(total) = 0.60777E-01    rms(broyden)= 0.60775E-01
  rms(prec ) = 0.64640E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6361
  2.3128  2.3128  1.5762  1.2258  0.7337  0.7337  0.5890  0.5890  0.3927  0.3927
  0.3802  0.3802  0.1896  0.1685  0.1532  0.0951  0.1306  0.1188  0.1233  0.1233

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.04271197
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.60463128
  PAW double counting   =     84343.85012737   -83165.23451287
  entropy T*S    EENTRO =        -0.15535676
  eigenvalues    EBANDS =     -6098.78537256
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.23585634 eV

  energy without entropy =    -1066.08049959  energy(sigma->0) =    -1066.18407076


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  26)  ---------------------------------------


    POTLOK:  cpu time    0.4730: real time    0.4784
    SETDIJ:  cpu time    0.4401: real time    0.4423
atom =  17  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6056 -0.0001 -0.0000  0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000  0.0195
 -0.0001  0.5441 -0.0001  0.0001 -0.0001      0.0000  0.0000 -0.0000  0.0370 -0.0013
 -0.0000 -0.0001  0.6080  0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000  0.0000
  0.0001  0.0001  0.0000  0.5442 -0.0000      0.0000 -0.0370 -0.0000 -0.0000  0.0015
  0.0000 -0.0001 -0.0000 -0.0000  0.5523     -0.0195  0.0013 -0.0000 -0.0015  0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0001      0.0001  0.0000 -0.0000 -0.0097 -0.0001
 -0.0097  0.0024 -0.0000 -0.0003  0.0001     -0.0000  0.0022 -0.0169 -0.0003 -0.0416
 -0.0000 -0.0000  0.0001 -0.0164  0.0000     -0.0000  0.0164  0.0002 -0.0000 -0.0001
 -0.0000 -0.0004  0.0169  0.0018 -0.0413      0.0097 -0.0002  0.0000  0.0026  0.0001
  0.0001  0.0001  0.0000  0.0436  0.0027     -0.0001  0.0433 -0.0001  0.0001  0.0031
 
spin component  3
 
  0.0001 -0.0097 -0.0000 -0.0000  0.0001     -0.0001  0.0000  0.0000 -0.0097  0.0001
  0.0097  0.0024 -0.0000 -0.0004  0.0001     -0.0000 -0.0022 -0.0164  0.0002 -0.0433
 -0.0000 -0.0000  0.0001  0.0169  0.0000      0.0000  0.0169 -0.0002 -0.0000  0.0001
 -0.0000 -0.0003 -0.0164  0.0018  0.0436      0.0097  0.0003  0.0000 -0.0026 -0.0001
  0.0001  0.0001  0.0000 -0.0413  0.0027      0.0001  0.0416  0.0001 -0.0001 -0.0031
 
spin component  4
 
  0.6067  0.0001 -0.0000 -0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0000 -0.0199
  0.0001  0.5619  0.0001 -0.0001  0.0001      0.0000 -0.0000 -0.0000 -0.0465 -0.0014
 -0.0000  0.0001  0.6089 -0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0000
 -0.0001 -0.0001 -0.0000  0.5615  0.0000      0.0000  0.0465 -0.0000 -0.0000  0.0016
 -0.0000  0.0001  0.0000  0.0000  0.5697      0.0199  0.0014  0.0000 -0.0016 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4693  v =  0.0017  0.3780 -0.0021 -0.4583  0.0018 -0.0061 -0.1021 -0.0004  0.0113  0.3960      0.0000 -0.4548  0.0004 -0.3759 -0.1162  0.0074  0.0082  0.0002 -0.1052  0.3268
  o =  0.4723  v = -0.0032  0.0668 -0.0004 -0.0816 -0.0075 -0.0021  0.5606  0.0018 -0.0052  0.0694      0.0000 -0.0978  0.0001 -0.0808  0.5799  0.0025  0.0095 -0.0015  0.5603  0.0571
  o =  0.5675  v =  0.1280 -0.4034 -0.0015  0.4612  0.0002  0.0189  0.0800  0.3578 -0.0013  0.0200      0.0000 -0.4425  0.0003 -0.3789 -0.1749 -0.0144 -0.0010 -0.3100  0.0781  0.0261
  o =  0.5757  v = -0.5738 -0.0371 -0.0295  0.0378  0.0004 -0.1138 -0.2907  0.1059  0.0269 -0.1520      0.0000 -0.1732  0.0161 -0.1512  0.5774  0.1355  0.0272 -0.0939 -0.3222 -0.1280
  o =  0.5824  v = -0.1924 -0.1219  0.4096  0.1642 -0.0001  0.3224 -0.1244  0.0193 -0.3112  0.3631      0.0000  0.1313 -0.0670  0.1065  0.1489 -0.4157 -0.3120 -0.0073 -0.0220  0.2811
  o =  0.5852  v = -0.1127 -0.1091 -0.5727  0.1027 -0.0001  0.3267 -0.0315  0.0073  0.3847  0.2274      0.0000  0.0976  0.0072  0.1075  0.0752 -0.3032  0.3858 -0.0056 -0.0404  0.2451
  o =  0.6217  v =  0.2814  0.2180  0.0007 -0.2554 -0.0001  0.0434 -0.0761  0.6264 -0.0043 -0.0201      0.0000  0.2361 -0.0006  0.1967  0.1582 -0.0398 -0.0042 -0.5291 -0.0778 -0.0222
  o =  0.6247  v = -0.6973  0.0469 -0.0375 -0.0540 -0.0003 -0.1482  0.2231  0.2176 -0.0210  0.1067      0.0000  0.1528  0.0220  0.1313 -0.4493  0.1732 -0.0211 -0.1860  0.2450  0.0913
  o =  0.6303  v = -0.1662  0.1154  0.4949 -0.1552 -0.0003  0.2965  0.1278  0.0272  0.3284 -0.3250      0.0000 -0.1231 -0.0862 -0.0988 -0.1421 -0.3847  0.3286 -0.0165  0.0126 -0.2502
  o =  0.6336  v =  0.1082 -0.1409  0.4940  0.1363 -0.0007 -0.3250 -0.0400 -0.0046  0.3724  0.2895      0.0000  0.1253 -0.0159  0.1341  0.1058  0.3092  0.3728  0.0016 -0.0630  0.3040
atom =  18  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055  0.0001 -0.0000  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0195
  0.0001  0.5461  0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0001  0.0385  0.0019
 -0.0000  0.0000  0.6078 -0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5461  0.0003     -0.0000 -0.0385 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0000  0.0003  0.5540     -0.0195 -0.0019 -0.0000  0.0000  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0035  0.0000  0.0001 -0.0000     -0.0000  0.0000 -0.0169  0.0005 -0.0419
 -0.0000  0.0000 -0.0002 -0.0165 -0.0000      0.0000  0.0165 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0169 -0.0029 -0.0420      0.0097  0.0004  0.0000  0.0000 -0.0000
 -0.0000 -0.0001 -0.0000  0.0434 -0.0040      0.0001  0.0435  0.0000 -0.0001 -0.0002
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0035  0.0000  0.0001 -0.0001     -0.0000 -0.0000 -0.0165 -0.0004 -0.0435
 -0.0000  0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169  0.0000 -0.0000 -0.0000
  0.0000  0.0001 -0.0165 -0.0029  0.0434      0.0097 -0.0005  0.0000 -0.0000  0.0001
 -0.0000 -0.0000 -0.0000 -0.0420 -0.0040     -0.0001  0.0419 -0.0000  0.0000  0.0002
 
spin component  4
 
  0.6063 -0.0001 -0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0198
 -0.0001  0.5596 -0.0000  0.0000  0.0002      0.0000 -0.0000  0.0000 -0.0455  0.0020
 -0.0000 -0.0000  0.6084  0.0001 -0.0000      0.0000 -0.0000  0.0000  0.0000 -0.0000
 -0.0000  0.0000  0.0001  0.5598 -0.0003     -0.0000  0.0455 -0.0000 -0.0000  0.0000
  0.0000  0.0002 -0.0000 -0.0003  0.5676      0.0198 -0.0020  0.0000 -0.0000 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4690  v =  0.0017 -0.5828  0.0000 -0.0113  0.0098  0.0082 -0.1506  0.0000  0.0092  0.0102      0.0000 -0.0115 -0.0020  0.5773 -0.1526  0.0001 -0.0093 -0.0006 -0.1312 -0.5131
  o =  0.4717  v = -0.0016 -0.1432 -0.0001  0.0138  0.0243  0.0037  0.5530  0.0001  0.0244 -0.0112      0.0000  0.0134 -0.0006  0.1642  0.5631 -0.0003 -0.0237  0.0023  0.5584 -0.1246
  o =  0.5698  v = -0.1568 -0.5962 -0.0011 -0.0206  0.0000  0.0261 -0.0942 -0.0171  0.0019 -0.0012      0.0000  0.0198 -0.0058 -0.5630  0.2003  0.0006  0.0006 -0.4933 -0.0871  0.0347
  o =  0.5764  v =  0.5602 -0.0541  0.0077 -0.0168  0.0000 -0.2204  0.3473 -0.0073 -0.0063 -0.0226      0.0000 -0.0026  0.0637 -0.2668 -0.5501  0.0212 -0.0071 -0.1661  0.2264 -0.2366
  o =  0.5813  v =  0.2293 -0.1897 -0.0245  0.0182  0.0010  0.4351 -0.2780  0.0011  0.0189  0.0411      0.0000  0.0169 -0.4700  0.1300 -0.1863 -0.0460  0.0205 -0.0400  0.4608  0.3906
  o =  0.5840  v =  0.1410 -0.1891  0.0064  0.0116 -0.0006  0.5047  0.3977  0.0031 -0.0043  0.0236      0.0000  0.0087  0.4976  0.1607 -0.1007 -0.0303 -0.0044 -0.0150 -0.3027  0.3928
  o =  0.6223  v =  0.3015 -0.3523  0.0035 -0.0108 -0.0001 -0.0685 -0.0966  0.0273  0.0024  0.0013      0.0000  0.0121  0.0153 -0.3171  0.1774  0.0010  0.0017  0.7942 -0.0741  0.0368
  o =  0.6252  v = -0.6596 -0.0715 -0.0055 -0.0130  0.0003  0.2710  0.2664  0.0117 -0.0033 -0.0149      0.0000 -0.0005 -0.0797 -0.2353 -0.4399 -0.0231 -0.0035  0.3053  0.1863 -0.1764
  o =  0.6293  v =  0.2086  0.1694 -0.0263 -0.0136  0.0004  0.4085  0.2786 -0.0010 -0.0169 -0.0318      0.0000 -0.0147 -0.5677 -0.1189  0.1710 -0.0391 -0.0168 -0.0354 -0.4472 -0.3349
  o =  0.6323  v =  0.1402  0.2240  0.0071 -0.0147 -0.0001  0.5050 -0.3838  0.0029  0.0053 -0.0280      0.0000 -0.0103  0.4439 -0.1916  0.1308 -0.0312  0.0049 -0.0262  0.2579 -0.4555
atom =  19  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6064 -0.0000 -0.0000 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0198
 -0.0000  0.5596 -0.0000  0.0000  0.0002     -0.0000 -0.0000 -0.0000  0.0451 -0.0004
 -0.0000 -0.0000  0.6086  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000  0.0000  0.0000  0.5598 -0.0001      0.0000 -0.0451  0.0000  0.0000 -0.0002
  0.0000  0.0002  0.0000 -0.0001  0.5676     -0.0198  0.0004 -0.0000  0.0002 -0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0009 -0.0000 -0.0001  0.0001     -0.0000 -0.0004 -0.0164 -0.0000 -0.0432
  0.0000 -0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0164  0.0007 -0.0431      0.0097 -0.0000  0.0000 -0.0004  0.0001
 -0.0000  0.0000  0.0000  0.0417  0.0007     -0.0000  0.0416  0.0000  0.0000 -0.0002
 
spin component  3
 
  0.0000 -0.0097  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0009 -0.0000 -0.0001  0.0000     -0.0000  0.0004 -0.0168  0.0000 -0.0416
  0.0000 -0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0168  0.0007  0.0417      0.0097  0.0000  0.0000  0.0004 -0.0000
 -0.0000  0.0001  0.0000 -0.0431  0.0007      0.0000  0.0432 -0.0000 -0.0001  0.0002
 
spin component  4
 
  0.6055  0.0000 -0.0000  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0195
  0.0000  0.5459  0.0000 -0.0001 -0.0002     -0.0000  0.0000 -0.0000 -0.0381 -0.0004
 -0.0000  0.0000  0.6079 -0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0000  0.5457  0.0001      0.0000  0.0381  0.0000  0.0000 -0.0002
 -0.0000 -0.0002 -0.0000  0.0001  0.5541      0.0195  0.0004  0.0000  0.0002  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4697  v = -0.0089  0.0325  0.0000  0.0070 -0.0034  0.0004 -0.5997  0.0003 -0.0040 -0.0068      0.0000  0.0048  0.0000 -0.0276 -0.5267  0.0002  0.0035  0.0006 -0.5999  0.0326
  o =  0.4721  v =  0.0008  0.5324  0.0005  0.2121 -0.0051  0.0019  0.0309 -0.0000 -0.0077 -0.2158      0.0000  0.2123 -0.0005 -0.5323  0.0266  0.0007  0.0036  0.0001  0.0352  0.5418
  o =  0.5699  v = -0.0039 -0.0006  0.4613  0.0251 -0.0001 -0.0041  0.2620 -0.0014 -0.5430  0.0579      0.0000  0.0272  0.2242 -0.0065  0.0055 -0.0454 -0.5436 -0.0034 -0.2665 -0.0053
  o =  0.5767  v =  0.0433 -0.3228  0.0299 -0.0304 -0.0003  0.6303 -0.0161  0.0040 -0.0282 -0.0656      0.0000 -0.0370 -0.0387  0.3081 -0.0461  0.0672 -0.0294 -0.0076  0.0582  0.6169
  o =  0.5817  v = -0.6099  0.1925 -0.0007  0.1403  0.0002  0.0467 -0.2322  0.1802 -0.0001 -0.0009      0.0000 -0.1400 -0.0046  0.2282  0.5347  0.0019 -0.0006  0.2701 -0.2254  0.0371
  o =  0.5827  v =  0.3444  0.3815  0.0043  0.2530 -0.0001 -0.0190  0.1278  0.3331 -0.0032  0.0084      0.0000 -0.2450  0.0021  0.3677 -0.2870 -0.0102 -0.0040  0.5010  0.1235 -0.0151
  o =  0.6225  v =  0.0066  0.0044 -0.8249  0.0229  0.0003  0.0286  0.0889  0.0037 -0.3498  0.0529      0.0000  0.0280 -0.2125 -0.0126  0.0029  0.0888 -0.3498  0.0071 -0.0915 -0.0171
  o =  0.6253  v = -0.0530 -0.2631 -0.0621 -0.0387  0.0002 -0.7539 -0.0192 -0.0025 -0.0312 -0.0796      0.0000 -0.0421  0.0704  0.2514 -0.0340 -0.1186 -0.0314  0.0111  0.0513  0.5076
  o =  0.6297  v = -0.5377 -0.2434  0.0045 -0.1784 -0.0001  0.0393  0.1997  0.2758  0.0017  0.0013      0.0000  0.1790 -0.0042 -0.2758 -0.4419  0.0009  0.0021  0.4002  0.1940 -0.0333
  o =  0.6306  v =  0.4643 -0.3123  0.0069 -0.2119  0.0001 -0.0244 -0.1799  0.3083  0.0036 -0.0089      0.0000  0.2033  0.0040 -0.2918  0.3937 -0.0103  0.0043  0.4485 -0.1752  0.0216
atom =  20  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6066 -0.0000 -0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0000  0.5630  0.0000 -0.0001  0.0000     -0.0000  0.0000 -0.0000  0.0474 -0.0004
 -0.0000  0.0000  0.6089  0.0000 -0.0000     -0.0000  0.0000  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0000  0.5628 -0.0001      0.0000 -0.0474  0.0000 -0.0000 -0.0007
 -0.0000  0.0000 -0.0000 -0.0001  0.5710     -0.0199  0.0004 -0.0000  0.0007  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000  0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008  0.0000  0.0002 -0.0000     -0.0000 -0.0011 -0.0164 -0.0000 -0.0441
  0.0000  0.0000  0.0000 -0.0170  0.0000     -0.0000  0.0170 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0164  0.0005 -0.0440      0.0097 -0.0000  0.0000 -0.0013 -0.0001
 -0.0000 -0.0001  0.0000  0.0417  0.0008     -0.0000  0.0418  0.0000 -0.0001 -0.0015
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000  0.0002 -0.0001     -0.0000  0.0011 -0.0170  0.0000 -0.0418
  0.0000  0.0000  0.0000  0.0164  0.0000      0.0000  0.0164  0.0001 -0.0000 -0.0000
  0.0000  0.0002 -0.0170  0.0005  0.0417      0.0097  0.0000  0.0000  0.0013  0.0001
 -0.0000 -0.0000  0.0000 -0.0440  0.0008      0.0000  0.0441 -0.0000  0.0001  0.0015
 
spin component  4
 
  0.6054  0.0000 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0195
  0.0000  0.5430 -0.0000  0.0000 -0.0001     -0.0000  0.0000 -0.0000 -0.0367 -0.0004
 -0.0000 -0.0000  0.6079 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000  0.0000 -0.0000  0.5431  0.0001      0.0000  0.0367  0.0000 -0.0000 -0.0007
  0.0000 -0.0001  0.0000  0.0001  0.5515      0.0195  0.0004  0.0000  0.0007 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4684  v =  0.0106 -0.0180 -0.0001 -0.0475 -0.0029 -0.0003  0.6026 -0.0008 -0.0030  0.0491      0.0000 -0.0398  0.0000  0.0145  0.5161 -0.0007  0.0035 -0.0004  0.6026 -0.0184
  o =  0.4718  v = -0.0014 -0.2323 -0.0008 -0.5157 -0.0027 -0.0017 -0.0553  0.0001  0.0005  0.5413      0.0000 -0.5162 -0.0007  0.2325 -0.0403 -0.0040  0.0066  0.0001 -0.0490 -0.2436
  o =  0.5669  v =  0.0015  0.0203  0.0355 -0.0253  0.0010 -0.0274 -0.6136 -0.0013 -0.0461 -0.0569      0.0000 -0.0249 -0.4792 -0.0143 -0.0019  0.0412 -0.0448  0.0028  0.6161 -0.0379
  o =  0.5759  v = -0.0713  0.1545 -0.0456  0.2995 -0.0002 -0.2841 -0.0649  0.0094  0.0452  0.5473      0.0000  0.2806 -0.0300 -0.1442  0.0793 -0.5519  0.0452  0.0049 -0.0056 -0.2815
  o =  0.5834  v = -0.6790  0.0646  0.0059  0.1111 -0.0002  0.0402 -0.2314  0.1917 -0.0057 -0.0568      0.0000 -0.1671  0.0030  0.0932  0.5625  0.0781 -0.0055  0.1089 -0.2351  0.0289
  o =  0.5853  v = -0.2371 -0.2298 -0.0012 -0.4046 -0.0001  0.0073 -0.0781 -0.5997  0.0025 -0.0094      0.0000  0.3962 -0.0023 -0.2250  0.1775  0.0139  0.0017 -0.3407 -0.0771  0.0052
  o =  0.6216  v = -0.0061 -0.0038  0.6046 -0.0295 -0.0005 -0.0274 -0.2408 -0.0032  0.2355 -0.0623      0.0000 -0.0311  0.6225  0.0108 -0.0025 -0.1102  0.2351 -0.0035  0.2435  0.0154
  o =  0.6247  v =  0.0920  0.1248  0.0968  0.2356 -0.0002  0.3585 -0.0548 -0.0136  0.0461  0.4402      0.0000  0.2220  0.0604 -0.1177  0.0565  0.6760  0.0461 -0.0072  0.0024 -0.2332
  o =  0.6317  v = -0.6192 -0.0945  0.0093 -0.1590  0.0001  0.0340  0.2361  0.2674  0.0052  0.0595      0.0000  0.2177  0.0029 -0.1254 -0.5475  0.0651  0.0051  0.1562  0.2405 -0.0311
  o =  0.6335  v = -0.2925  0.2387 -0.0033  0.4088  0.0001  0.0111  0.1234 -0.5317 -0.0018  0.0187      0.0000 -0.3912 -0.0006  0.2287 -0.2735  0.0191 -0.0010 -0.3108  0.1213 -0.0103
atom =  21  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6074  0.0001 -0.0001  0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5587  0.0000 -0.0001 -0.0002      0.0000  0.0000  0.0001  0.0443  0.0022
 -0.0001  0.0000  0.6097 -0.0001  0.0000      0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5586  0.0007     -0.0000 -0.0443 -0.0000 -0.0000  0.0002
 -0.0000 -0.0002  0.0000  0.0007  0.5665     -0.0197 -0.0022 -0.0000 -0.0002  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0042 -0.0000  0.0001  0.0001     -0.0000  0.0003 -0.0163  0.0003 -0.0424
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0036 -0.0425      0.0097  0.0004  0.0000  0.0004  0.0001
  0.0000  0.0000 -0.0001  0.0410 -0.0042      0.0001  0.0413 -0.0000  0.0000  0.0002
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0042  0.0000  0.0001  0.0000     -0.0000 -0.0003 -0.0167 -0.0004 -0.0413
 -0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000 -0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0036  0.0410      0.0096 -0.0003  0.0000 -0.0004 -0.0000
  0.0000  0.0001 -0.0001 -0.0425 -0.0042     -0.0001  0.0424  0.0000 -0.0001 -0.0002
 
spin component  4
 
  0.6067 -0.0001 -0.0001 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5462  0.0000 -0.0002  0.0002      0.0000 -0.0000  0.0001 -0.0380  0.0021
 -0.0001  0.0000  0.6091  0.0001 -0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0002  0.0001  0.5462 -0.0007     -0.0000  0.0380 -0.0000  0.0000  0.0002
  0.0000  0.0002 -0.0000 -0.0007  0.5549      0.0194 -0.0021  0.0000 -0.0002 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4704  v = -0.0076 -0.1752  0.0002 -0.0135  0.0022 -0.0017 -0.5760 -0.0003  0.0015  0.0134      0.0000 -0.0114 -0.0006  0.1516 -0.5089 -0.0002 -0.0032 -0.0026 -0.5695 -0.1749
  o =  0.4732  v =  0.0042 -0.5475  0.0005 -0.0428 -0.0008 -0.0004  0.1655 -0.0000 -0.0029  0.0427      0.0000 -0.0425 -0.0028  0.5545  0.1453 -0.0000 -0.0010  0.0007  0.1906 -0.5499
  o =  0.5696  v = -0.0388 -0.1147  0.1009 -0.0083  0.0016  0.1797 -0.5875  0.0028 -0.1245 -0.0243      0.0000 -0.0125 -0.4566  0.1005  0.0536  0.0180 -0.1238 -0.0083  0.5350  0.2409
  o =  0.5769  v =  0.2618  0.3625  0.0270  0.0152  0.0006 -0.5118 -0.0616  0.0114 -0.0257  0.0050      0.0000 -0.0094 -0.1908 -0.1768 -0.2888 -0.0045 -0.0261  0.0936  0.3192 -0.5198
  o =  0.5805  v = -0.3757 -0.2696  0.0056 -0.0414  0.0001 -0.2719 -0.1950 -0.0508 -0.0061  0.0032      0.0000  0.0447 -0.0579 -0.5065  0.3666 -0.0056 -0.0068 -0.4529 -0.1000 -0.2416
  o =  0.5842  v = -0.5047  0.4025 -0.0037  0.0401 -0.0001 -0.1628 -0.2022  0.0524  0.0019  0.0030      0.0000 -0.0386 -0.0199  0.2882  0.4098 -0.0018  0.0021  0.4647 -0.1659 -0.1232
  o =  0.6227  v =  0.0969 -0.1135 -0.1337 -0.0010 -0.0019 -0.3610 -0.3299 -0.0060 -0.0525 -0.0118      0.0000 -0.0100  0.7637  0.0818  0.0499 -0.0209 -0.0542  0.0256  0.2818  0.2045
  o =  0.6258  v = -0.3229  0.2615 -0.0455  0.0124 -0.0004  0.6130 -0.0809 -0.0211 -0.0225  0.0042      0.0000 -0.0077  0.3630 -0.1466 -0.2060  0.0071 -0.0233 -0.1173  0.2713 -0.3977
  o =  0.6285  v =  0.4070 -0.2320 -0.0163 -0.0326  0.0000  0.2721 -0.1717  0.0605 -0.0075  0.0058      0.0000  0.0386  0.0629 -0.4356  0.3108  0.0060 -0.0079  0.5731 -0.0940 -0.2070
  o =  0.6321  v =  0.5048  0.3829  0.0040  0.0353 -0.0000  0.1561 -0.2206 -0.0522  0.0028  0.0011      0.0000 -0.0353  0.0358  0.2500  0.4355  0.0015  0.0030 -0.4637 -0.1797 -0.1398
atom =  22  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6070  0.0002 -0.0001  0.0000  0.0000      0.0000 -0.0000  0.0000  0.0001  0.0195
  0.0002  0.5517 -0.0000 -0.0001 -0.0001      0.0000 -0.0000  0.0001  0.0405  0.0029
 -0.0001 -0.0000  0.6094 -0.0001 -0.0000     -0.0000 -0.0001  0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5517  0.0007     -0.0001 -0.0405 -0.0000 -0.0000  0.0009
  0.0000 -0.0001 -0.0000  0.0007  0.5601     -0.0195 -0.0029 -0.0000 -0.0009 -0.0000
 
spin component  2
 
 -0.0003  0.0096 -0.0000 -0.0000  0.0001      0.0001  0.0000  0.0000 -0.0097  0.0002
 -0.0097 -0.0059 -0.0000 -0.0003  0.0001     -0.0000  0.0015 -0.0166  0.0004 -0.0418
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0003  0.0165 -0.0048 -0.0415      0.0096  0.0004  0.0000  0.0017  0.0000
  0.0001 -0.0000 -0.0001  0.0420 -0.0060      0.0002  0.0419 -0.0000 -0.0000  0.0021
 
spin component  3
 
 -0.0003 -0.0097 -0.0000  0.0000  0.0001     -0.0001  0.0000 -0.0000 -0.0096 -0.0002
  0.0096 -0.0059  0.0000 -0.0003 -0.0000     -0.0000 -0.0015 -0.0165 -0.0004 -0.0419
 -0.0000 -0.0000 -0.0003  0.0165 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0048  0.0420      0.0097 -0.0004  0.0000 -0.0017  0.0000
  0.0001  0.0001 -0.0001 -0.0415 -0.0060     -0.0002  0.0418  0.0000 -0.0000 -0.0021
 
spin component  4
 
  0.6071 -0.0002 -0.0001 -0.0000 -0.0000     -0.0000 -0.0000 -0.0000  0.0001 -0.0196
 -0.0002  0.5531  0.0000 -0.0001  0.0001      0.0000  0.0000  0.0001 -0.0416  0.0029
 -0.0001  0.0000  0.6095  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0001  0.0001  0.5531 -0.0007     -0.0001  0.0416 -0.0000 -0.0000  0.0009
 -0.0000  0.0001  0.0000 -0.0007  0.5613      0.0196 -0.0029  0.0000 -0.0009 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4706  v = -0.0007 -0.4105  0.0020 -0.1774  0.0319  0.0015 -0.3979 -0.0007  0.0229  0.1673      0.0000 -0.1711 -0.0025  0.3863 -0.3783  0.0007 -0.0416 -0.0027 -0.3766 -0.3833
  o =  0.4730  v =  0.0045 -0.3647  0.0017 -0.1186  0.0062  0.0045  0.4307  0.0009 -0.0009  0.1112      0.0000 -0.1269 -0.0023  0.3926  0.4047  0.0014 -0.0137  0.0032  0.4515 -0.3418
  o =  0.5727  v = -0.3160 -0.4864  0.1046 -0.1472  0.0005  0.2353 -0.3363 -0.0865 -0.1199 -0.1051      0.0000  0.0510 -0.1455 -0.2161  0.3923  0.0840 -0.1192 -0.3144 -0.0157  0.2913
  o =  0.5757  v = -0.0692 -0.1833 -0.1822 -0.1376  0.0002 -0.2528  0.3300 -0.1551  0.1861  0.0433      0.0000  0.1727  0.3435 -0.4207  0.0842 -0.0384  0.1807 -0.2926 -0.3755 -0.2891
  o =  0.5795  v =  0.3632 -0.1347  0.2072 -0.0531  0.0013 -0.2384 -0.0723 -0.0934 -0.1876  0.0591      0.0000  0.1195 -0.2767 -0.3738 -0.3423 -0.0648 -0.1872 -0.2838  0.4209 -0.2235
  o =  0.5837  v = -0.4358  0.2914  0.1227  0.0913  0.0008 -0.4718 -0.3038  0.0420 -0.0949  0.1282      0.0000  0.0273 -0.1848 -0.0604  0.3483 -0.1590 -0.0941  0.1481 -0.0173 -0.3789
  o =  0.6236  v =  0.4774 -0.3048 -0.1431 -0.0741 -0.0009 -0.3806 -0.2451  0.1065 -0.0592 -0.0640      0.0000  0.0128  0.2559 -0.0983  0.2768 -0.1143 -0.0591  0.4617 -0.0144  0.2178
  o =  0.6254  v = -0.1253  0.0800 -0.0885  0.1984 -0.0059 -0.3129 -0.2225 -0.3500 -0.0488  0.0558      0.0000 -0.1470  0.5340  0.2631 -0.0895  0.0879 -0.0462 -0.3631  0.2928  0.2093
  o =  0.6278  v = -0.3969 -0.1091 -0.2779 -0.0661  0.0004  0.2684 -0.0620  0.1586 -0.1514  0.0316      0.0000  0.1026  0.3624 -0.3017 -0.2794  0.0474 -0.1527  0.3676  0.3443 -0.1839
  o =  0.6318  v =  0.4151  0.2965 -0.1311  0.0902 -0.0003  0.4502 -0.3066 -0.0424 -0.0871  0.1297      0.0000  0.0318  0.2080 -0.0704  0.3603  0.1507 -0.0875 -0.1735 -0.0324 -0.3886
atom =  23  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6040 -0.0003 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0001  0.0199
 -0.0003  0.5504  0.0000 -0.0001  0.0000     -0.0000 -0.0000 -0.0002  0.0406 -0.0052
 -0.0001  0.0000  0.6075  0.0001  0.0000     -0.0000  0.0002  0.0000 -0.0000  0.0000
 -0.0000 -0.0001  0.0001  0.5506 -0.0005      0.0001 -0.0406  0.0000  0.0000 -0.0008
 -0.0000  0.0000  0.0000 -0.0005  0.5606     -0.0199  0.0052 -0.0000  0.0008  0.0000
 
spin component  2
 
  0.0004  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0098  0.0094 -0.0000  0.0003  0.0001     -0.0000 -0.0012 -0.0168 -0.0007 -0.0437
  0.0000  0.0000  0.0005 -0.0166  0.0002     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0003  0.0168  0.0071 -0.0433      0.0098 -0.0007  0.0000 -0.0013  0.0001
 -0.0000 -0.0000  0.0002  0.0447  0.0110     -0.0003  0.0446  0.0000 -0.0000 -0.0018
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0099  0.0094  0.0000  0.0003 -0.0000     -0.0000  0.0012 -0.0166  0.0007 -0.0446
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0003 -0.0166  0.0071  0.0447      0.0099  0.0007  0.0000  0.0013  0.0000
 -0.0000  0.0001  0.0002 -0.0433  0.0110      0.0003  0.0437 -0.0000 -0.0001  0.0018
 
spin component  4
 
  0.6043  0.0003 -0.0001  0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0001 -0.0201
  0.0003  0.5552 -0.0000 -0.0002  0.0000     -0.0000  0.0000 -0.0002 -0.0434 -0.0053
 -0.0001 -0.0000  0.6078 -0.0001 -0.0000     -0.0000  0.0002 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5549  0.0005      0.0001  0.0434  0.0000 -0.0000 -0.0008
  0.0000  0.0000 -0.0000  0.0005  0.5671      0.0201  0.0053  0.0000  0.0008 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4677  v =  0.0013  0.4735  0.0012  0.0558 -0.0209 -0.0028 -0.3756  0.0008 -0.0266 -0.0487      0.0000  0.0481 -0.0044 -0.4416 -0.3614 -0.0004  0.0153  0.0036 -0.3361  0.4322
  o =  0.4710  v = -0.0043 -0.3490 -0.0012 -0.0590 -0.0021  0.0071 -0.4472  0.0007  0.0032  0.0535      0.0000 -0.0654  0.0037  0.3925 -0.4278  0.0011  0.0074  0.0049 -0.4803 -0.3156
  o =  0.5695  v = -0.3410  0.5143  0.0371  0.0760  0.0003 -0.2202 -0.3206  0.0466 -0.0455  0.0454      0.0000 -0.0349 -0.1197  0.2598  0.4209 -0.0352 -0.0449  0.3355 -0.0556 -0.2745
  o =  0.5758  v =  0.0415  0.2169 -0.2048 -0.0820 -0.0038  0.2959  0.3371 -0.0266  0.1894 -0.1316      0.0000 -0.0218  0.3072  0.4611 -0.0285  0.1277  0.1993  0.3494 -0.2579  0.3074
  o =  0.5799  v = -0.4153 -0.1534 -0.1348 -0.0354 -0.0015 -0.1450  0.1536 -0.0467  0.1108  0.0036      0.0000  0.0477  0.4039 -0.3053  0.3326 -0.0079  0.1110 -0.2838 -0.5008 -0.1122
  o =  0.5861  v =  0.4426  0.2463 -0.0724  0.0354 -0.0007 -0.5931  0.2837  0.0190  0.0461  0.0536      0.0000  0.0121  0.2620 -0.0785 -0.2590 -0.0873  0.0456  0.1253 -0.0486 -0.3599
  o =  0.6212  v = -0.4998 -0.3096  0.0591 -0.0365  0.0008 -0.3567  0.2386  0.0618  0.0218 -0.0273      0.0000  0.0101 -0.2204 -0.1181 -0.2952 -0.0503  0.0218  0.5146  0.0390  0.2028
  o =  0.6251  v = -0.0415  0.1359  0.4853 -0.2717 -0.0119 -0.1698  0.0926  0.3621  0.2461 -0.2172      0.0000  0.0885 -0.1529  0.2431 -0.0193 -0.2903  0.2576 -0.3662 -0.0564  0.1244
  o =  0.6282  v =  0.3959 -0.1320  0.1624 -0.0398 -0.0001  0.1770  0.1257  0.0769  0.0976  0.0012      0.0000  0.0468 -0.4616 -0.2834  0.3157  0.0046  0.0992  0.3329 -0.4506 -0.1276
  o =  0.6379  v =  0.3246 -0.3244 -0.0535 -0.0467 -0.0003 -0.4329 -0.3489  0.0143 -0.0468 -0.0745      0.0000 -0.0208  0.1986  0.1323  0.3781 -0.0646 -0.0473  0.1133 -0.0024  0.4977
atom =  24  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6037 -0.0001 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5472  0.0000 -0.0002  0.0002     -0.0000  0.0000 -0.0001  0.0392 -0.0018
 -0.0001  0.0000  0.6073  0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0001  0.5472 -0.0006      0.0000 -0.0392  0.0000  0.0000 -0.0008
  0.0000  0.0002 -0.0000 -0.0006  0.5579     -0.0199  0.0018 -0.0000  0.0008 -0.0000
 
spin component  2
 
  0.0002  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0036 -0.0000  0.0001  0.0000     -0.0000 -0.0012 -0.0169 -0.0004 -0.0433
  0.0000  0.0000  0.0002 -0.0165  0.0001     -0.0000  0.0165 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0031 -0.0432      0.0098 -0.0003  0.0000 -0.0014  0.0000
 -0.0000 -0.0001  0.0001  0.0448  0.0038     -0.0001  0.0448  0.0000 -0.0001 -0.0015
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0098  0.0036  0.0000  0.0001 -0.0001     -0.0000  0.0012 -0.0165  0.0003 -0.0448
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0165  0.0031  0.0448      0.0099  0.0004  0.0000  0.0014  0.0001
 -0.0000  0.0000  0.0001 -0.0432  0.0038      0.0001  0.0433 -0.0000 -0.0000  0.0015
 
spin component  4
 
  0.6044  0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000 -0.0201
  0.0001  0.5584 -0.0000 -0.0001 -0.0003     -0.0000  0.0000 -0.0001 -0.0450 -0.0019
 -0.0001 -0.0000  0.6079 -0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000 -0.0000
  0.0000 -0.0001 -0.0001  0.5584  0.0007      0.0000  0.0450  0.0000  0.0000 -0.0008
 -0.0000 -0.0003  0.0000  0.0007  0.5698      0.0201  0.0019  0.0000  0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4681  v = -0.0014 -0.5301 -0.0016 -0.2145 -0.0150  0.0072  0.1876 -0.0003 -0.0079  0.1892      0.0000 -0.2116  0.0016  0.5228  0.1883  0.0029  0.0222 -0.0007  0.1728 -0.4667
  o =  0.4708  v =  0.0005  0.1732  0.0005  0.0600 -0.0162 -0.0041  0.5472 -0.0008 -0.0184 -0.0515      0.0000  0.0673 -0.0005 -0.1937  0.5414 -0.0016  0.0142 -0.0023  0.5525  0.1517
  o =  0.5707  v =  0.1732 -0.5450 -0.0022 -0.2236  0.0001  0.0280  0.0918 -0.1916  0.0048 -0.0186      0.0000  0.2069  0.0046 -0.5118 -0.2042  0.0142  0.0051 -0.4705  0.0863  0.0346
  o =  0.5778  v =  0.5780  0.0455 -0.0907  0.0201 -0.0004  0.2426  0.3351  0.0695  0.0808 -0.0929      0.0000 -0.1025  0.0881  0.2499 -0.5056  0.0982  0.0803  0.1638  0.1785  0.2300
  o =  0.5805  v = -0.2689 -0.1353 -0.3821 -0.0585 -0.0013  0.2844  0.2054 -0.0154  0.3044 -0.1075      0.0000 -0.0258  0.3856  0.0554  0.2086  0.1253  0.3033 -0.0503 -0.4081  0.2444
  o =  0.5838  v =  0.1848  0.1964 -0.2600  0.0727 -0.0010 -0.5782  0.2524  0.0058  0.1806  0.1582      0.0000  0.0663  0.2838 -0.1655 -0.1223 -0.2222  0.1802  0.0194 -0.1411 -0.4115
  o =  0.6224  v =  0.2734  0.3404 -0.0046  0.1377 -0.0001  0.0579 -0.0927 -0.2981  0.0018  0.0135      0.0000 -0.1248  0.0130  0.3078  0.1779  0.0251  0.0017 -0.7349 -0.0737 -0.0340
  o =  0.6264  v =  0.5989 -0.0439 -0.1447 -0.0147  0.0000  0.2727 -0.2954  0.0972 -0.0826  0.0886      0.0000  0.0954  0.1198 -0.2312  0.4527  0.1172 -0.0827  0.2496 -0.1614 -0.2044
  o =  0.6286  v =  0.2564 -0.1114  0.4713 -0.0572  0.0003 -0.1984  0.1736  0.0398  0.2979 -0.0892      0.0000 -0.0164 -0.4429  0.0305  0.2173 -0.1027  0.2987  0.0639 -0.3873  0.1737
  o =  0.6332  v = -0.1741  0.2508  0.2005  0.0948  0.0001  0.5172  0.2485 -0.0051  0.1519  0.2000      0.0000  0.0857 -0.2175 -0.2122 -0.1769  0.2017  0.1525 -0.0275 -0.0820 -0.5128
atom =  25  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6073  0.0001 -0.0000  0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0000  0.0197
  0.0001  0.5584  0.0000 -0.0001 -0.0002      0.0000 -0.0000  0.0001  0.0441  0.0023
 -0.0000  0.0000  0.6096 -0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5578  0.0008     -0.0000 -0.0441 -0.0000 -0.0000  0.0001
  0.0000 -0.0002  0.0000  0.0008  0.5664     -0.0197 -0.0023 -0.0000 -0.0001 -0.0000
 
spin component  2
 
 -0.0002  0.0096  0.0000 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0096  0.0001
 -0.0096 -0.0043 -0.0000  0.0001 -0.0000     -0.0000  0.0003 -0.0163  0.0003 -0.0421
 -0.0000  0.0000 -0.0002 -0.0167 -0.0001      0.0000  0.0167  0.0000 -0.0000 -0.0000
  0.0000  0.0001  0.0163 -0.0037 -0.0427      0.0097  0.0003 -0.0000  0.0003 -0.0000
 -0.0000 -0.0001 -0.0001  0.0406 -0.0042      0.0001  0.0413 -0.0000 -0.0001  0.0001
 
spin component  3
 
 -0.0002 -0.0096 -0.0000  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0096 -0.0043  0.0000  0.0001 -0.0001     -0.0000 -0.0003 -0.0167 -0.0003 -0.0413
  0.0000 -0.0000 -0.0002  0.0163 -0.0001     -0.0000  0.0163 -0.0000  0.0000  0.0000
 -0.0000  0.0001 -0.0167 -0.0037  0.0406      0.0096 -0.0003  0.0000 -0.0003  0.0001
 -0.0000 -0.0000 -0.0001 -0.0427 -0.0042     -0.0001  0.0421  0.0000  0.0000 -0.0001
 
spin component  4
 
  0.6066 -0.0001 -0.0000 -0.0000 -0.0000      0.0000 -0.0000 -0.0000  0.0000 -0.0194
 -0.0001  0.5463 -0.0000 -0.0000  0.0002      0.0000  0.0000  0.0001 -0.0379  0.0021
 -0.0000 -0.0000  0.6091  0.0001 -0.0000      0.0000 -0.0001  0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5468 -0.0007     -0.0000  0.0379 -0.0000  0.0000  0.0001
 -0.0000  0.0002 -0.0000 -0.0007  0.5547      0.0194 -0.0021  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4706  v = -0.0074 -0.1903  0.0001 -0.0040 -0.0040 -0.0017 -0.5712 -0.0002 -0.0047  0.0039      0.0000 -0.0024 -0.0008  0.1666 -0.5060 -0.0001  0.0039 -0.0026 -0.5635 -0.1897
  o =  0.4732  v =  0.0043 -0.5440  0.0003 -0.0255 -0.0035 -0.0002  0.1803  0.0001 -0.0051  0.0254      0.0000 -0.0259 -0.0028  0.5520  0.1588  0.0000  0.0024  0.0008  0.2057 -0.5452
  o =  0.5696  v = -0.0506 -0.1253  0.0185  0.0051  0.0006  0.1953 -0.5992  0.0004 -0.0233  0.0108      0.0000  0.0049 -0.4622  0.1094  0.0691 -0.0081 -0.0223 -0.0091  0.5331  0.2610
  o =  0.5769  v =  0.2388  0.3416  0.0267  0.0386 -0.0001 -0.5166 -0.0938  0.0245 -0.0264  0.0279      0.0000 -0.0095 -0.2134 -0.2019 -0.2626 -0.0275 -0.0258  0.0701  0.3308 -0.5246
  o =  0.5800  v = -0.3664 -0.3117  0.0157 -0.0011 -0.0002 -0.2302 -0.1801 -0.0166 -0.0148  0.0267      0.0000  0.0278 -0.0417 -0.5141  0.3639 -0.0299 -0.0142 -0.4743 -0.1128 -0.2089
  o =  0.5841  v = -0.5229  0.3916 -0.0008  0.0184  0.0001 -0.1750 -0.2059  0.0295  0.0007 -0.0064      0.0000 -0.0255 -0.0160  0.2683  0.4252  0.0087  0.0005  0.4434 -0.1759 -0.1330
  o =  0.6227  v =  0.1138 -0.1206 -0.0344  0.0046 -0.0009 -0.3873 -0.3322 -0.0002 -0.0135  0.0076      0.0000  0.0028  0.7580  0.0888  0.0589  0.0132 -0.0139  0.0254  0.2756  0.2188
  o =  0.6258  v = -0.2872  0.2430 -0.0487  0.0305 -0.0004  0.6151 -0.1077 -0.0357 -0.0243  0.0237      0.0000 -0.0061  0.3954 -0.1666 -0.1824  0.0367 -0.0243 -0.0799  0.2779 -0.3998
  o =  0.6281  v = -0.4089  0.2616  0.0265  0.0012  0.0003 -0.2284  0.1561 -0.0226  0.0140 -0.0233      0.0000 -0.0246 -0.0374  0.4289 -0.3071 -0.0310  0.0138 -0.6028  0.1071  0.1719
  o =  0.6320  v = -0.5196 -0.3734 -0.0012 -0.0174 -0.0003 -0.1631  0.2232  0.0308 -0.0006  0.0064      0.0000  0.0244 -0.0307 -0.2347 -0.4479  0.0075 -0.0007  0.4455  0.1889  0.1463
atom =  26  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6070  0.0002 -0.0000  0.0000 -0.0000      0.0000 -0.0000  0.0000  0.0000  0.0195
  0.0002  0.5517 -0.0000 -0.0001 -0.0001      0.0000  0.0000  0.0001  0.0405  0.0029
 -0.0000 -0.0000  0.6093 -0.0001 -0.0000     -0.0000 -0.0001 -0.0000  0.0000  0.0000
  0.0000 -0.0001 -0.0001  0.5521  0.0006     -0.0000 -0.0405 -0.0000 -0.0000  0.0008
 -0.0000 -0.0001 -0.0000  0.0006  0.5599     -0.0195 -0.0029 -0.0000 -0.0008  0.0000
 
spin component  2
 
 -0.0003  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000  0.0000 -0.0097  0.0002
 -0.0096 -0.0060  0.0000 -0.0003 -0.0000      0.0000  0.0014 -0.0166  0.0005 -0.0419
 -0.0000  0.0000 -0.0003 -0.0165 -0.0001      0.0000  0.0165  0.0001  0.0000 -0.0000
 -0.0000 -0.0003  0.0165 -0.0047 -0.0412      0.0096  0.0004  0.0000  0.0015 -0.0000
  0.0000 -0.0001 -0.0001  0.0423 -0.0062      0.0002  0.0417 -0.0000 -0.0001  0.0019
 
spin component  3
 
 -0.0003 -0.0096 -0.0000 -0.0000  0.0000     -0.0001 -0.0000 -0.0000 -0.0096 -0.0002
  0.0097 -0.0060  0.0000 -0.0003 -0.0001     -0.0000 -0.0014 -0.0165 -0.0004 -0.0417
 -0.0000  0.0000 -0.0003  0.0165 -0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
 -0.0000 -0.0003 -0.0165 -0.0047  0.0423      0.0097 -0.0005 -0.0000 -0.0015  0.0001
  0.0000 -0.0000 -0.0001 -0.0412 -0.0062     -0.0002  0.0419  0.0000  0.0000 -0.0019
 
spin component  4
 
  0.6070 -0.0002 -0.0000 -0.0000  0.0000     -0.0000 -0.0000 -0.0000  0.0001 -0.0196
 -0.0002  0.5530  0.0000 -0.0000  0.0001      0.0000 -0.0000  0.0001 -0.0415  0.0030
 -0.0000  0.0000  0.6094  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
 -0.0000 -0.0000  0.0001  0.5525 -0.0007     -0.0001  0.0415 -0.0000 -0.0000  0.0008
  0.0000  0.0001  0.0000 -0.0007  0.5612      0.0196 -0.0030  0.0000 -0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4706  v = -0.0009 -0.4068  0.0018 -0.1484  0.0253  0.0013 -0.4142 -0.0006  0.0177  0.1407      0.0000 -0.1429 -0.0025  0.3816 -0.3926  0.0005 -0.0338 -0.0028 -0.3922 -0.3809
  o =  0.4730  v =  0.0045 -0.3823  0.0016 -0.1120  0.0020  0.0045  0.4161  0.0009 -0.0050  0.1055      0.0000 -0.1199 -0.0025  0.4100  0.3907  0.0013 -0.0092  0.0032  0.4388 -0.3594
  o =  0.5725  v =  0.3158  0.4904 -0.1004  0.1266  0.0003 -0.2472  0.3396  0.0716  0.1146  0.0969      0.0000 -0.0373  0.1476  0.2054 -0.3932 -0.0778  0.1140  0.3111  0.0138 -0.3060
  o =  0.5757  v = -0.1014 -0.1849 -0.1781 -0.1172  0.0012 -0.2244  0.3446 -0.1334  0.1809  0.0409      0.0000  0.1493  0.3759 -0.3909  0.1194 -0.0356  0.1773 -0.2790 -0.4252 -0.2584
  o =  0.5793  v =  0.3536 -0.1675  0.1715 -0.0528  0.0003 -0.2521 -0.0518 -0.0889 -0.1566  0.0547      0.0000  0.1131 -0.2511 -0.4195 -0.3356 -0.0587 -0.1568 -0.3254  0.3966 -0.2394
  o =  0.5837  v = -0.4340  0.2859  0.1095  0.0825  0.0001 -0.4814 -0.3126  0.0401 -0.0835  0.1142      0.0000  0.0231 -0.1983 -0.0735  0.3470 -0.1420 -0.0833  0.1365 -0.0062 -0.3855
  o =  0.6235  v =  0.4801 -0.3064 -0.1328 -0.0672 -0.0006 -0.3917 -0.2436  0.0938 -0.0555 -0.0594      0.0000  0.0099  0.2529 -0.0944  0.2771 -0.1052 -0.0551  0.4599 -0.0161  0.2228
  o =  0.6254  v = -0.1585  0.0940 -0.1303  0.1513 -0.0039 -0.2874 -0.2311 -0.2750 -0.0683  0.0304      0.0000 -0.1224  0.5715  0.2606 -0.1107  0.0481 -0.0660 -0.3736  0.3219  0.1935
  o =  0.6276  v = -0.3899 -0.1359 -0.2370 -0.0647  0.0007  0.2846 -0.0451  0.1536 -0.1276  0.0294      0.0000  0.0981  0.3270 -0.3372 -0.2712  0.0450 -0.1283  0.4269  0.3209 -0.1945
  o =  0.6318  v =  0.4111  0.2922 -0.1186  0.0826 -0.0003  0.4598 -0.3142 -0.0390 -0.0795  0.1173      0.0000  0.0279  0.2213 -0.0836  0.3578  0.1357 -0.0797 -0.1600 -0.0215 -0.3968
atom =  27  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0003 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0001  0.0199
 -0.0003  0.5504  0.0000 -0.0003  0.0001     -0.0000 -0.0000 -0.0001  0.0407 -0.0049
 -0.0001  0.0000  0.6072  0.0001  0.0000      0.0000  0.0001  0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5501 -0.0005      0.0001 -0.0407  0.0000 -0.0000 -0.0008
  0.0000  0.0001  0.0000 -0.0005  0.5602     -0.0199  0.0049 -0.0000  0.0008  0.0000
 
spin component  2
 
  0.0004  0.0098  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0003
 -0.0098  0.0089 -0.0000  0.0002 -0.0000     -0.0000 -0.0012 -0.0168 -0.0007 -0.0436
  0.0000  0.0000  0.0005 -0.0167  0.0002     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0002  0.0168  0.0068 -0.0437      0.0098 -0.0006  0.0000 -0.0014 -0.0000
 -0.0000 -0.0002  0.0002  0.0445  0.0103     -0.0003  0.0449  0.0000 -0.0002 -0.0018
 
spin component  3
 
  0.0004 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0003
  0.0098  0.0089  0.0000  0.0002 -0.0002     -0.0000  0.0012 -0.0166  0.0006 -0.0449
  0.0000 -0.0000  0.0005  0.0168  0.0002      0.0000  0.0168  0.0001 -0.0000 -0.0000
 -0.0000  0.0002 -0.0167  0.0068  0.0445      0.0099  0.0007  0.0000  0.0014  0.0002
 -0.0000 -0.0000  0.0002 -0.0437  0.0103      0.0003  0.0436 -0.0000  0.0000  0.0018
 
spin component  4
 
  0.6042  0.0003 -0.0001  0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0001 -0.0201
  0.0003  0.5561 -0.0000 -0.0002 -0.0001     -0.0000 -0.0000 -0.0001 -0.0440 -0.0050
 -0.0001 -0.0000  0.6075 -0.0001 -0.0000      0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5563  0.0006      0.0001  0.0440  0.0000 -0.0000 -0.0008
 -0.0000 -0.0001 -0.0000  0.0006  0.5674      0.0201  0.0050  0.0000  0.0008 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4676  v =  0.0016  0.4873  0.0015  0.0782 -0.0126 -0.0034 -0.3523  0.0007 -0.0195 -0.0693      0.0000  0.0715 -0.0043 -0.4586 -0.3416 -0.0007  0.0060  0.0032 -0.3140  0.4428
  o =  0.4708  v = -0.0037 -0.3270 -0.0011 -0.0565 -0.0104  0.0069 -0.4641  0.0009 -0.0061  0.0516      0.0000 -0.0639  0.0033  0.3698 -0.4478  0.0011  0.0152  0.0048 -0.4934 -0.2941
  o =  0.5701  v = -0.3431  0.5173  0.0293  0.0982  0.0012 -0.2000 -0.3017  0.0655 -0.0360  0.0493      0.0000 -0.0529 -0.1083  0.2895  0.4139 -0.0390 -0.0366  0.3572 -0.0689 -0.2454
  o =  0.5760  v =  0.1074  0.1868 -0.1041  0.0563 -0.0010  0.3514  0.3704  0.0812  0.0971 -0.0404      0.0000 -0.0895  0.3161  0.4808 -0.0907  0.0411  0.0943  0.3495 -0.2302  0.3581
  o =  0.5803  v = -0.4271 -0.1381 -0.1448 -0.0366 -0.0028 -0.0843  0.1797 -0.0491  0.1154  0.0036      0.0000  0.0483  0.4452 -0.2420  0.3343 -0.0079  0.1149 -0.2433 -0.5237 -0.0590
  o =  0.5859  v =  0.4200  0.2473 -0.0910  0.0321 -0.0016 -0.5950  0.2874  0.0095  0.0582  0.0577      0.0000  0.0198  0.2770 -0.0830 -0.2470 -0.0931  0.0578  0.1225 -0.0618 -0.3659
  o =  0.6214  v =  0.4945  0.3189 -0.0481  0.0486 -0.0006  0.3270 -0.2338 -0.0862 -0.0168  0.0293      0.0000 -0.0201  0.1986  0.1408  0.2981  0.0544 -0.0173 -0.5378 -0.0470 -0.1889
  o =  0.6251  v =  0.0967 -0.1558 -0.2386  0.0421  0.0015  0.3550 -0.2426 -0.0194 -0.1272  0.0869      0.0000  0.0320  0.3891 -0.3835  0.0538  0.1143 -0.1312  0.5206  0.1617 -0.2621
  o =  0.6285  v =  0.3975 -0.1194  0.1635 -0.0418  0.0005  0.1274  0.1534  0.0777  0.1015  0.0011      0.0000  0.0484 -0.4989 -0.2355  0.3257  0.0039  0.1041  0.2751 -0.4858 -0.0889
  o =  0.6374  v = -0.3162  0.3245  0.0648  0.0420  0.0000  0.4399  0.3487 -0.0076  0.0557  0.0774      0.0000  0.0285 -0.2061 -0.1340 -0.3638  0.0683  0.0568 -0.1133 -0.0086 -0.5001
atom =  28  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6038 -0.0001 -0.0001 -0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000  0.0199
 -0.0001  0.5487  0.0000 -0.0003  0.0002     -0.0000 -0.0000 -0.0001  0.0404 -0.0022
 -0.0001  0.0000  0.6071  0.0001  0.0000     -0.0000  0.0001 -0.0000 -0.0000  0.0000
 -0.0000 -0.0003  0.0001  0.5493 -0.0007      0.0000 -0.0404  0.0000  0.0000 -0.0006
 -0.0000  0.0002  0.0000 -0.0007  0.5590     -0.0199  0.0022 -0.0000  0.0006  0.0000
 
spin component  2
 
  0.0002  0.0099  0.0000 -0.0000 -0.0000     -0.0001  0.0000 -0.0000 -0.0099 -0.0001
 -0.0098  0.0045 -0.0000  0.0001  0.0000     -0.0000 -0.0009 -0.0169 -0.0004 -0.0440
  0.0000  0.0000  0.0002 -0.0166  0.0001     -0.0000  0.0166 -0.0001 -0.0000  0.0000
  0.0000  0.0001  0.0169  0.0038 -0.0434      0.0098 -0.0004  0.0000 -0.0011  0.0000
 -0.0000 -0.0002  0.0001  0.0453  0.0047     -0.0001  0.0448  0.0000 -0.0002 -0.0011
 
spin component  3
 
  0.0002 -0.0098  0.0000  0.0000 -0.0000      0.0001  0.0000  0.0000 -0.0098  0.0001
  0.0099  0.0045  0.0000  0.0001 -0.0002     -0.0000  0.0009 -0.0166  0.0004 -0.0448
  0.0000 -0.0000  0.0002  0.0169  0.0001      0.0000  0.0169  0.0001 -0.0000 -0.0000
 -0.0000  0.0001 -0.0166  0.0038  0.0453      0.0099  0.0004  0.0000  0.0011  0.0002
 -0.0000  0.0000  0.0001 -0.0434  0.0047      0.0001  0.0440 -0.0000 -0.0000  0.0011
 
spin component  4
 
  0.6043  0.0001 -0.0001  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0201
  0.0001  0.5579 -0.0000 -0.0002 -0.0003     -0.0000  0.0000 -0.0001 -0.0448 -0.0024
 -0.0001 -0.0000  0.6076 -0.0001 -0.0000     -0.0000  0.0001 -0.0000 -0.0000 -0.0000
  0.0000 -0.0002 -0.0001  0.5573  0.0008      0.0000  0.0448  0.0000 -0.0000 -0.0006
  0.0000 -0.0003 -0.0000  0.0008  0.5688      0.0201  0.0024  0.0000  0.0006  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4677  v = -0.0013 -0.5331 -0.0012 -0.1216 -0.0028  0.0062  0.2504 -0.0003  0.0026  0.1086      0.0000 -0.1185  0.0023  0.5219  0.2466  0.0014  0.0081 -0.0012  0.2291 -0.4760
  o =  0.4703  v =  0.0014  0.2349  0.0005  0.0595 -0.0166 -0.0049  0.5238 -0.0005 -0.0189 -0.0519      0.0000  0.0640 -0.0011 -0.2591  0.5133 -0.0013  0.0151 -0.0027  0.5340  0.2087
  o =  0.5721  v = -0.2379  0.5591  0.0055  0.1389 -0.0000 -0.0712 -0.1312  0.1212 -0.0081  0.0204      0.0000 -0.1206 -0.0156  0.4815  0.2672 -0.0153 -0.0085  0.4877 -0.1051 -0.0821
  o =  0.5782  v = -0.4648 -0.0659  0.1452 -0.0059  0.0010 -0.3320 -0.3640 -0.0550 -0.1261  0.0927      0.0000  0.0853 -0.1829 -0.3363  0.3996 -0.1008 -0.1260 -0.2285 -0.0464 -0.3071
  o =  0.5799  v = -0.3823 -0.1401 -0.2779 -0.0591 -0.0023  0.1717  0.2012 -0.0312  0.2230 -0.0787      0.0000 -0.0011  0.4357 -0.0331  0.3047  0.0892  0.2231 -0.1080 -0.5003  0.1525
  o =  0.5840  v =  0.2509  0.2122 -0.1383  0.0366 -0.0015 -0.6119  0.3015  0.0038  0.0952  0.0748      0.0000  0.0299  0.3311 -0.1680 -0.1651 -0.1072  0.0952  0.0280 -0.1508 -0.4260
  o =  0.6229  v =  0.3373  0.3688 -0.0095  0.0888 -0.0002  0.1181 -0.1257 -0.1786 -0.0009  0.0136      0.0000 -0.0757  0.0339  0.2991  0.2242  0.0255 -0.0013 -0.7217 -0.0837 -0.0732
  o =  0.6268  v =  0.4527 -0.0537 -0.2338  0.0065 -0.0002  0.3501 -0.3204  0.0563 -0.1359  0.0939      0.0000  0.0767  0.2517 -0.2997  0.3447  0.1188 -0.1371  0.3112 -0.0302 -0.2707
  o =  0.6282  v =  0.3871 -0.1180  0.3376 -0.0624  0.0005 -0.0854  0.1468  0.0628  0.2101 -0.0675      0.0000  0.0074 -0.4868 -0.0633  0.3202 -0.0784  0.2126  0.1440 -0.4635  0.0802
  o =  0.6337  v =  0.2231 -0.2683 -0.1093 -0.0468 -0.0003 -0.5261 -0.3091  0.0035 -0.0836 -0.0972      0.0000 -0.0417  0.2593  0.2154  0.2293 -0.0963 -0.0851  0.0371  0.0935  0.5298
atom =  29  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6054 -0.0000 -0.0001  0.0001 -0.0000      0.0000 -0.0000 -0.0000 -0.0000  0.0196
 -0.0000  0.5475 -0.0000 -0.0003 -0.0003      0.0000 -0.0000 -0.0000  0.0394 -0.0007
 -0.0001 -0.0000  0.6078  0.0000  0.0000      0.0000  0.0000 -0.0000  0.0000  0.0000
  0.0001 -0.0003  0.0000  0.5474 -0.0000      0.0000 -0.0394 -0.0000 -0.0000  0.0008
 -0.0000 -0.0003  0.0000 -0.0000  0.5551     -0.0196  0.0007 -0.0000 -0.0008 -0.0000
 
spin component  2
 
  0.0001  0.0097 -0.0000 -0.0000  0.0000      0.0001  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0014 -0.0000  0.0000  0.0001     -0.0000  0.0013 -0.0168 -0.0002 -0.0419
 -0.0000  0.0000  0.0001 -0.0165 -0.0000     -0.0000  0.0165  0.0001 -0.0000 -0.0000
  0.0000 -0.0000  0.0168  0.0010 -0.0421      0.0097 -0.0002  0.0000  0.0016  0.0001
  0.0000 -0.0001 -0.0000  0.0433  0.0016     -0.0000  0.0434 -0.0000 -0.0002  0.0016
 
spin component  3
 
  0.0001 -0.0097 -0.0000  0.0000  0.0000     -0.0001  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0014  0.0000 -0.0000 -0.0001     -0.0000 -0.0013 -0.0165  0.0002 -0.0434
 -0.0000 -0.0000  0.0001  0.0168 -0.0000      0.0000  0.0168 -0.0001 -0.0000  0.0000
 -0.0000  0.0000 -0.0165  0.0010  0.0433      0.0097  0.0002  0.0000 -0.0016  0.0002
  0.0000  0.0001 -0.0000 -0.0421  0.0016      0.0000  0.0419  0.0000 -0.0001 -0.0016
 
spin component  4
 
  0.6061  0.0000 -0.0001 -0.0001  0.0000      0.0000 -0.0000  0.0000 -0.0000 -0.0198
  0.0000  0.5582  0.0000 -0.0003  0.0003      0.0000 -0.0000 -0.0000 -0.0445 -0.0007
 -0.0001  0.0000  0.6083 -0.0000 -0.0000     -0.0000  0.0000  0.0000  0.0000 -0.0000
 -0.0001 -0.0003 -0.0000  0.5583  0.0000      0.0000  0.0445 -0.0000 -0.0000  0.0008
  0.0000  0.0003 -0.0000  0.0000  0.5667      0.0198  0.0007  0.0000 -0.0008  0.0000
 
 occupancies and eigenvectors
 
  o =  0.4693  v = -0.0010 -0.3485  0.0013  0.4760  0.0227  0.0047  0.0926  0.0001  0.0166 -0.4235      0.0000  0.4757 -0.0004  0.3479  0.1000 -0.0064 -0.0283 -0.0001  0.0949 -0.3098
  o =  0.4715  v =  0.0009 -0.0735  0.0004  0.0642 -0.0068  0.0016 -0.5681 -0.0011 -0.0084 -0.0562      0.0000  0.0736  0.0000  0.0824 -0.5703 -0.0017  0.0050  0.0009 -0.5681 -0.0654
  o =  0.5716  v = -0.1170  0.3407  0.0061 -0.4801 -0.0005 -0.0027 -0.0605 -0.4276 -0.0062 -0.0083      0.0000  0.4707  0.0034  0.3376  0.1410  0.0080 -0.0048  0.3050 -0.0674 -0.0010
  o =  0.5770  v = -0.6112 -0.0099 -0.0267  0.0472 -0.0001 -0.1168 -0.3100  0.0984  0.0221 -0.0987      0.0000 -0.1384 -0.0119 -0.1197  0.5897  0.0948  0.0214 -0.0681 -0.2888 -0.1219
  o =  0.5807  v =  0.1199  0.1440 -0.5222 -0.0989  0.0001 -0.3321  0.0448 -0.0164  0.4221 -0.2043      0.0000 -0.0722 -0.0062 -0.1109 -0.1031  0.2251  0.4207  0.0195  0.0541 -0.3013
  o =  0.5825  v = -0.1240 -0.1515 -0.4132  0.1481 -0.0004  0.4002  0.0020  0.0125  0.3086  0.3181      0.0000  0.1340  0.0623  0.1405  0.0929 -0.3857  0.3092 -0.0105 -0.0908  0.3306
  o =  0.6231  v =  0.2185  0.2076 -0.0122 -0.3075 -0.0004  0.0102 -0.0607  0.6735 -0.0081 -0.0117      0.0000  0.2956 -0.0070  0.1992  0.1351 -0.0181 -0.0073 -0.4542 -0.0689 -0.0078
  o =  0.6256  v =  0.7123 -0.0177  0.0294  0.0568  0.0000  0.1437 -0.2548 -0.1818  0.0189 -0.0784      0.0000 -0.1308  0.0150 -0.1069  0.4891 -0.1184  0.0184  0.1202 -0.2387 -0.0962
  o =  0.6286  v = -0.1100  0.1252  0.6357 -0.0847  0.0007  0.3086  0.0434  0.0225  0.3950 -0.1639      0.0000 -0.0586 -0.0018 -0.0928 -0.0867 -0.2045  0.3948 -0.0285  0.0406 -0.2465
  o =  0.6307  v = -0.1256  0.1716 -0.3775 -0.1648  0.0002  0.4215  0.0121  0.0121 -0.2567 -0.3401      0.0000 -0.1455  0.0618 -0.1574 -0.1111 -0.3970 -0.2572 -0.0071  0.0956 -0.3615
atom =  30  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6055  0.0001 -0.0001 -0.0000  0.0000     -0.0000  0.0000  0.0000  0.0000  0.0195
  0.0001  0.5441 -0.0000 -0.0001  0.0000     -0.0000 -0.0000  0.0001  0.0370  0.0021
 -0.0001 -0.0000  0.6079 -0.0001  0.0000     -0.0000 -0.0001  0.0000  0.0000  0.0000
 -0.0000 -0.0001 -0.0001  0.5442  0.0002     -0.0000 -0.0370 -0.0000 -0.0000  0.0001
  0.0000  0.0000  0.0000  0.0002  0.5518     -0.0195 -0.0021 -0.0000 -0.0001  0.0000
 
spin component  2
 
 -0.0002  0.0097 -0.0000 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0097  0.0001
 -0.0097 -0.0038 -0.0000 -0.0001  0.0002     -0.0000  0.0002 -0.0169  0.0005 -0.0417
 -0.0000  0.0000 -0.0002 -0.0164 -0.0000      0.0000  0.0164  0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0169 -0.0031 -0.0413      0.0097  0.0004  0.0000  0.0002  0.0002
  0.0000 -0.0000 -0.0000  0.0440 -0.0045      0.0001  0.0438  0.0000 -0.0000  0.0004
 
spin component  3
 
 -0.0002 -0.0097 -0.0000  0.0000  0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0001
  0.0097 -0.0038  0.0000 -0.0001 -0.0000     -0.0000 -0.0002 -0.0164 -0.0004 -0.0438
 -0.0000 -0.0000 -0.0002  0.0169 -0.0000     -0.0000  0.0169 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0164 -0.0031  0.0440      0.0097 -0.0005  0.0000 -0.0002  0.0000
  0.0000  0.0002 -0.0000 -0.0413 -0.0045     -0.0001  0.0417 -0.0000 -0.0002 -0.0004
 
spin component  4
 
  0.6065 -0.0001 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000  0.0000 -0.0199
 -0.0001  0.5619  0.0000 -0.0004 -0.0000     -0.0000  0.0000  0.0001 -0.0466  0.0023
 -0.0001  0.0000  0.6088  0.0001  0.0000      0.0000 -0.0001 -0.0000  0.0000 -0.0000
  0.0000 -0.0004  0.0001  0.5615 -0.0003     -0.0000  0.0466 -0.0000 -0.0000  0.0001
 -0.0000 -0.0000  0.0000 -0.0003  0.5703      0.0199 -0.0023  0.0000 -0.0001 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v =  0.0020 -0.5871  0.0004 -0.0627 -0.0121  0.0094 -0.1309 -0.0002 -0.0137  0.0532      0.0000 -0.0609 -0.0022  0.5825 -0.1352  0.0011  0.0099 -0.0005 -0.1101 -0.5075
  o =  0.4720  v = -0.0034 -0.1205  0.0001 -0.0295 -0.0149  0.0038  0.5536  0.0000 -0.0148  0.0246      0.0000 -0.0303 -0.0005  0.1437  0.5767  0.0006  0.0145  0.0025  0.5588 -0.1024
  o =  0.5673  v =  0.1438  0.6095 -0.0031  0.0349 -0.0003 -0.0257  0.0914  0.0264  0.0053  0.0048      0.0000 -0.0318  0.0040  0.5741 -0.1962 -0.0013  0.0046  0.4675  0.0879 -0.0370
  o =  0.5756  v =  0.5699 -0.0738 -0.0161  0.0012 -0.0002 -0.1703  0.3308 -0.0092  0.0175  0.0223      0.0000  0.0182  0.0248 -0.2456 -0.5723 -0.0209  0.0177 -0.1589  0.2806 -0.1913
  o =  0.5825  v =  0.1815 -0.1859  0.0948 -0.0345  0.0016  0.4931 -0.2653  0.0020 -0.0707 -0.0815      0.0000 -0.0321 -0.4416  0.1582 -0.1381  0.0939 -0.0709 -0.0209  0.4002  0.4273
  o =  0.5855  v =  0.1251 -0.1652 -0.0138 -0.0003 -0.0024  0.4863  0.4005 -0.0014  0.0102  0.0039      0.0000  0.0041  0.5471  0.1484 -0.0816 -0.0049  0.0092 -0.0068 -0.3228  0.3569
  o =  0.6216  v = -0.3142  0.3311  0.0092  0.0119 -0.0000  0.0709  0.0949 -0.0302  0.0028  0.0012      0.0000 -0.0110 -0.0084  0.2972 -0.1763  0.0071  0.0023 -0.8060  0.0776 -0.0354
  o =  0.6246  v =  0.6858  0.0908 -0.0241 -0.0010  0.0001 -0.2188 -0.2450 -0.0109 -0.0105 -0.0150      0.0000 -0.0128  0.0315  0.2160  0.4415 -0.0227 -0.0107 -0.3222 -0.2172  0.1346
  o =  0.6305  v = -0.1528 -0.1738 -0.0998 -0.0304 -0.0010 -0.4450 -0.2860  0.0028 -0.0660 -0.0708      0.0000 -0.0307  0.5251  0.1490 -0.1328 -0.0834 -0.0684  0.0148  0.4167  0.3800
  o =  0.6341  v =  0.1162  0.2137 -0.0147  0.0034 -0.0008  0.4720 -0.4078 -0.0027 -0.0102  0.0063      0.0000  0.0016  0.4560 -0.1938  0.1156  0.0067 -0.0122 -0.0172  0.2958 -0.4521
atom =  31  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6060 -0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5582  0.0000 -0.0003 -0.0000     -0.0000 -0.0000 -0.0000  0.0442 -0.0003
 -0.0001  0.0000  0.6083  0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000  0.0000
  0.0000 -0.0003  0.0000  0.5580 -0.0002      0.0000 -0.0442  0.0000  0.0000 -0.0003
 -0.0000 -0.0000  0.0000 -0.0002  0.5663     -0.0198  0.0003 -0.0000  0.0003  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0007 -0.0000  0.0001  0.0001     -0.0000 -0.0005 -0.0165 -0.0000 -0.0433
  0.0000  0.0000  0.0000 -0.0168  0.0000     -0.0000  0.0168 -0.0000 -0.0000  0.0000
  0.0000  0.0001  0.0165  0.0006 -0.0433      0.0097  0.0000  0.0000 -0.0005  0.0001
 -0.0000 -0.0002  0.0000  0.0422  0.0005     -0.0000  0.0424  0.0000 -0.0002 -0.0007
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0007  0.0000  0.0001 -0.0002     -0.0000  0.0005 -0.0168 -0.0000 -0.0424
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000  0.0001 -0.0168  0.0006  0.0422      0.0097  0.0000  0.0000  0.0005  0.0002
 -0.0000  0.0001  0.0000 -0.0433  0.0005      0.0000  0.0433 -0.0000 -0.0001  0.0007
 
spin component  4
 
  0.6054  0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5475 -0.0000 -0.0002 -0.0000     -0.0000  0.0000 -0.0000 -0.0397 -0.0003
 -0.0001 -0.0000  0.6077 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0000 -0.0000
 -0.0000 -0.0002 -0.0000  0.5476  0.0001      0.0000  0.0397  0.0000 -0.0000 -0.0003
  0.0000 -0.0000 -0.0000  0.0001  0.5556      0.0196  0.0003  0.0000  0.0003 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4692  v = -0.0081  0.0346  0.0002  0.0446  0.0039  0.0003 -0.5960  0.0003  0.0035 -0.0448      0.0000  0.0412  0.0000 -0.0303 -0.5298  0.0002 -0.0051  0.0005 -0.5959  0.0343
  o =  0.4714  v =  0.0011  0.3836  0.0006  0.4273  0.0038  0.0006  0.0572 -0.0000  0.0013 -0.4292      0.0000  0.4270 -0.0001 -0.3828  0.0484  0.0008 -0.0070  0.0001  0.0575  0.3849
  o =  0.5721  v = -0.0050  0.0291  0.4553  0.0114  0.0018 -0.0469 -0.3226  0.0004 -0.4988  0.0218      0.0000  0.0085 -0.2914 -0.0202  0.0090 -0.0184 -0.4977  0.0037  0.3155 -0.0551
  o =  0.5775  v =  0.0747 -0.1635  0.0526 -0.3013  0.0000  0.2990  0.0403 -0.0309 -0.0486 -0.5401      0.0000 -0.2432  0.0068  0.1225 -0.0754  0.5696 -0.0477 -0.0201  0.0280  0.2833
  o =  0.5809  v = -0.3666  0.3526 -0.0016  0.2265 -0.0000  0.0269 -0.1348  0.3220 -0.0012 -0.0614      0.0000 -0.2880  0.0068  0.3731  0.3272  0.0767 -0.0008  0.4547 -0.1461  0.0207
  o =  0.5816  v =  0.5906  0.2400  0.0015  0.1788  0.0003 -0.0297  0.2224  0.2113  0.0004  0.0320      0.0000 -0.1488 -0.0002  0.2174 -0.5073 -0.0381  0.0006  0.2950  0.2231 -0.0248
  o =  0.6234  v = -0.0119 -0.0226  0.8091 -0.0152  0.0007 -0.0665  0.0962 -0.0012  0.3691 -0.0353      0.0000 -0.0185 -0.2061  0.0168 -0.0048 -0.0563  0.3698  0.0075 -0.0922  0.0417
  o =  0.6260  v =  0.0852  0.1376  0.0870  0.2538  0.0005  0.3493 -0.0329 -0.0408  0.0463  0.4634      0.0000  0.2112  0.0108 -0.1078  0.0585  0.6611  0.0463 -0.0302 -0.0218 -0.2445
  o =  0.6288  v = -0.2814 -0.3438  0.0027 -0.2185  0.0001  0.0205  0.0951  0.3919  0.0002  0.0551      0.0000  0.2739  0.0093 -0.3616 -0.2261  0.0667 -0.0001  0.5619  0.1062 -0.0179
  o =  0.6298  v = -0.6516  0.1672  0.0002  0.1280  0.0002  0.0307  0.2448 -0.1679 -0.0015  0.0387      0.0000 -0.0909  0.0002  0.1429 -0.5406  0.0464 -0.0012 -0.2375  0.2456 -0.0260
atom =  32  type =  2  l = 2
 
 onsite density matrix
 
spin component  1
 
  0.6062 -0.0000 -0.0001 -0.0000  0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0198
 -0.0000  0.5593 -0.0000 -0.0002  0.0003     -0.0000  0.0000 -0.0000  0.0453 -0.0004
 -0.0001 -0.0000  0.6084  0.0000 -0.0000      0.0000  0.0000 -0.0000 -0.0000  0.0000
 -0.0000 -0.0002  0.0000  0.5594 -0.0001      0.0000 -0.0453  0.0000  0.0000 -0.0004
  0.0000  0.0003 -0.0000 -0.0001  0.5677     -0.0198  0.0004 -0.0000  0.0004  0.0000
 
spin component  2
 
  0.0000  0.0097  0.0000 -0.0000 -0.0000     -0.0000  0.0000 -0.0000 -0.0097 -0.0000
 -0.0097  0.0008 -0.0000 -0.0001  0.0002     -0.0000 -0.0007 -0.0165  0.0000 -0.0437
  0.0000  0.0000  0.0000 -0.0169  0.0000     -0.0000  0.0169 -0.0000 -0.0000  0.0000
  0.0000 -0.0001  0.0165  0.0005 -0.0435      0.0097  0.0000  0.0000 -0.0009  0.0002
 -0.0000 -0.0001  0.0000  0.0422  0.0007     -0.0000  0.0420  0.0000 -0.0001 -0.0006
 
spin component  3
 
  0.0000 -0.0097  0.0000  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0097  0.0000
  0.0097  0.0008  0.0000 -0.0001 -0.0001     -0.0000  0.0007 -0.0169 -0.0000 -0.0420
  0.0000 -0.0000  0.0000  0.0165  0.0000      0.0000  0.0165  0.0000 -0.0000 -0.0000
 -0.0000 -0.0001 -0.0169  0.0005  0.0422      0.0097 -0.0000  0.0000  0.0009  0.0001
 -0.0000  0.0002  0.0000 -0.0435  0.0007      0.0000  0.0437 -0.0000 -0.0002  0.0006
 
spin component  4
 
  0.6054  0.0000 -0.0001  0.0000 -0.0000      0.0000  0.0000  0.0000 -0.0000 -0.0196
  0.0000  0.5466  0.0000 -0.0003 -0.0002     -0.0000  0.0000 -0.0000 -0.0391 -0.0004
 -0.0001  0.0000  0.6077 -0.0000  0.0000     -0.0000  0.0000  0.0000 -0.0000 -0.0000
  0.0000 -0.0003 -0.0000  0.5465  0.0001      0.0000  0.0391  0.0000  0.0000 -0.0004
 -0.0000 -0.0002  0.0000  0.0001  0.5542      0.0196  0.0004  0.0000  0.0004 -0.0000
 
 occupancies and eigenvectors
 
  o =  0.4689  v = -0.0088  0.0317  0.0001  0.0262 -0.0033  0.0003 -0.5989  0.0006 -0.0044 -0.0263      0.0000  0.0216 -0.0000 -0.0279 -0.5269  0.0004  0.0027  0.0004 -0.5990  0.0319
  o =  0.4713  v =  0.0011  0.3991  0.0007  0.4116 -0.0043  0.0014  0.0418  0.0001 -0.0077 -0.4178      0.0000  0.4109  0.0001 -0.3986  0.0336  0.0013  0.0014  0.0000  0.0412  0.4054
  o =  0.5710  v = -0.0098  0.0095  0.4687  0.0298 -0.0011 -0.0264  0.2644 -0.0025 -0.5308  0.0697      0.0000  0.0346  0.2387 -0.0206  0.0149 -0.0571 -0.5314 -0.0058 -0.2766 -0.0324
  o =  0.5769  v =  0.0514 -0.2742  0.0671 -0.1837 -0.0001  0.5246  0.0211 -0.0042 -0.0627 -0.3478      0.0000 -0.1718 -0.0039  0.2434 -0.0539  0.3603 -0.0638 -0.0153  0.0284  0.5068
  o =  0.5817  v = -0.5374  0.1783 -0.0010  0.2575  0.0002  0.0513 -0.2043  0.3459 -0.0018 -0.0205      0.0000 -0.2768 -0.0052  0.2168  0.4682  0.0278 -0.0020  0.2556 -0.1955  0.0389
  o =  0.5827  v =  0.4562  0.2412  0.0113  0.3247 -0.0002 -0.0156  0.1666  0.4267 -0.0075  0.0187      0.0000 -0.3083  0.0024  0.2290 -0.3774 -0.0225 -0.0077  0.3168  0.1630 -0.0141
  o =  0.6229  v = -0.0184 -0.0142  0.7950 -0.0277 -0.0010 -0.0686 -0.1137 -0.0054  0.3507 -0.0636      0.0000 -0.0341  0.2656  0.0268 -0.0079 -0.1039  0.3497 -0.0099  0.1205  0.0420
  o =  0.6255  v =  0.0645  0.2230  0.1259  0.1579 -0.0004  0.6094 -0.0180 -0.0119  0.0647  0.3023      0.0000  0.1483 -0.0042 -0.1984  0.0427  0.4430  0.0648 -0.0252 -0.0221 -0.4162
  o =  0.6297  v = -0.4444 -0.2016  0.0100 -0.2914 -0.0002  0.0457  0.1671  0.4624  0.0040  0.0202      0.0000  0.3111 -0.0063 -0.2409 -0.3674  0.0225  0.0041  0.3395  0.1594 -0.0392
  o =  0.6308  v = -0.5461  0.1913 -0.0117  0.2572 -0.0001  0.0234  0.2130 -0.3619 -0.0082  0.0229      0.0000 -0.2360 -0.0019  0.1727 -0.4685  0.0263 -0.0085 -0.2671  0.2095 -0.0201
     EDDAV:  cpu time   66.4945: real time   67.1622
       DOS:  cpu time    0.0514: real time    0.0516
    --------------------------------------------
      LOOP:  cpu time   67.4590: real time   68.1344

 eigenvalue-minimisations  : 11560
 total energy-change (2. order) :-0.6186686E-04  (-0.8495106E-04)
 number of electron    1039.9999692 magnetization       0.0477208     -0.0011071     -0.0620665
 augmentation part       28.5469607 magnetization       0.0084237     -0.0012860     -0.0150117

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      5548.82366295
  Ewald energy   TEWEN  =    -57454.54190396
  -Hartree energ DENC   =    -17415.06034744
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      2476.60856178
  PAW double counting   =     84346.64018478   -83168.04879893
  entropy T*S    EENTRO =        -0.15534579
  eigenvalues    EBANDS =     -6098.74751265
  atomic energy  EATOM  =     70698.24558462
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -1066.23591821 eV

  energy without entropy =    -1066.08057242  energy(sigma->0) =    -1066.18413628


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.1212  1.1957  1.2192  0.7215
  (the norm of the test charge is              1.0000)
       1 -38.1722       2 -38.1668       3 -38.1796       4 -38.1829       5 -38.1791
       6 -38.1793       7 -38.1805       8 -38.1803       9 -38.1798      10 -38.1799
      11 -38.1813      12 -38.1811      13 -38.1671      14 -38.1688      15 -38.1825
      16 -38.1805      17 -51.8813      18 -51.8819      19 -51.8936      20 -51.8742
      21 -51.8954      22 -51.8951      23 -51.8611      24 -51.8615      25 -51.8986
      26 -51.8966      27 -51.8585      28 -51.8517      29 -51.8831      30 -51.8783
      31 -51.8837      32 -51.8806      33 -35.5123      34 -35.5102      35 -35.5255
      36 -35.5248      37 -35.5129      38 -35.5127      39 -35.5233      40 -35.5246
      41 -35.5120      42 -35.5101      43 -35.5253      44 -35.5251      45 -35.5131
      46 -35.5129      47 -35.5235      48 -35.5242      49 -35.5147      50 -35.5111
      51 -35.5217      52 -35.5260      53 -35.5140      54 -35.5087      55 -35.5236
      56 -35.5268      57 -35.5147      58 -35.5113      59 -35.5217      60 -35.5263
      61 -35.5139      62 -35.5084      63 -35.5237      64 -35.5265      65 -71.6157
      66 -71.6193      67 -71.6233      68 -71.6159      69 -71.6190      70 -71.6160
      71 -71.6162      72 -71.6231      73 -71.6147      74 -71.6183      75 -71.6223
      76 -71.6148      77 -71.6179      78 -71.6150      79 -71.6153      80 -71.6221
      81 -71.6454      82 -71.6473      83 -71.6651      84 -71.6582      85 -71.6465
      86 -71.6522      87 -71.6590      88 -71.6565      89 -71.6144      90 -71.6143
      91 -71.6130      92 -71.6132      93 -71.6137      94 -71.6143      95 -71.6134
      96 -71.6128      97 -71.6117      98 -71.6108      99 -71.6100     100 -71.6113
     101 -71.6115     102 -71.6118     103 -71.6105     104 -71.6100     105 -71.6505
     106 -71.6503     107 -71.6625     108 -71.6628     109 -71.6511     110 -71.6512
     111 -71.6624     112 -71.6626     113 -71.6146     114 -71.6135     115 -71.6154
     116 -71.6145     117 -71.6144     118 -71.6144     119 -71.6162     120 -71.6135
     121 -71.6141     122 -71.6141     123 -71.6125     124 -71.6103     125 -71.6134
     126 -71.6143     127 -71.6110     128 -71.6126     129 -71.6511     130 -71.6506
     131 -71.6630     132 -71.6608     133 -71.6516     134 -71.6513     135 -71.6628
     136 -71.6612     137 -71.6196     138 -71.6158     139 -71.6207     140 -71.6204
     141 -71.6193     142 -71.6163     143 -71.6210     144 -71.6199     145 -71.6158
     146 -71.6127     147 -71.6171     148 -71.6168     149 -71.6158     150 -71.6128
     151 -71.6174     152 -71.6164     153 -71.6479     154 -71.6473     155 -71.6605
     156 -71.6584     157 -71.6497     158 -71.6511     159 -71.6550     160 -71.6592
 
 
 
 E-fermi :   3.3578     XC(G=0): -10.2863     alpha+bet :-11.6240


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -23.4247      1.00000
      2     -23.4242      1.00000
      3     -23.3962      1.00000
      4     -23.3958      1.00000
      5     -23.3945      1.00000
      6     -23.3938      1.00000
      7     -23.3745      1.00000
      8     -23.3743      1.00000
      9     -23.3743      1.00000
     10     -23.3741      1.00000
     11     -23.3736      1.00000
     12     -23.3735      1.00000
     13     -23.3734      1.00000
     14     -23.3731      1.00000
     15     -23.3703      1.00000
     16     -23.3694      1.00000
     17     -23.3693      1.00000
     18     -23.3691      1.00000
     19     -23.3661      1.00000
     20     -23.3655      1.00000
     21     -23.3524      1.00000
     22     -23.3518      1.00000
     23     -23.3516      1.00000
     24     -23.3516      1.00000
     25     -23.3513      1.00000
     26     -23.3512      1.00000
     27     -23.3508      1.00000
     28     -23.3501      1.00000
     29     -23.3501      1.00000
     30     -23.3500      1.00000
     31     -23.3498      1.00000
     32     -23.3488      1.00000
     33     -23.3483      1.00000
     34     -23.3481      1.00000
     35     -23.3477      1.00000
     36     -23.3476      1.00000
     37     -23.3475      1.00000
     38     -23.3472      1.00000
     39     -23.3470      1.00000
     40     -23.3469      1.00000
     41     -23.3457      1.00000
     42     -23.3448      1.00000
     43     -23.3447      1.00000
     44     -23.3445      1.00000
     45     -23.3292      1.00000
     46     -23.3285      1.00000
     47     -23.3275      1.00000
     48     -23.3273      1.00000
     49     -23.3270      1.00000
     50     -23.3268      1.00000
     51     -23.3263      1.00000
     52     -23.3262      1.00000
     53     -23.3259      1.00000
     54     -23.3252      1.00000
     55     -23.3241      1.00000
     56     -23.3232      1.00000
     57     -23.3231      1.00000
     58     -23.3230      1.00000
     59     -23.3107      1.00000
     60     -23.3101      1.00000
     61     -23.3076      1.00000
     62     -23.3067      1.00000
     63     -23.2896      1.00000
     64     -23.2888      1.00000
     65     -15.4588      1.00000
     66     -15.4586      1.00000
     67     -15.4567      1.00000
     68     -15.4563      1.00000
     69     -15.4434      1.00000
     70     -15.4434      1.00000
     71     -15.4398      1.00000
     72     -15.4386      1.00000
     73     -15.4376      1.00000
     74     -15.4368      1.00000
     75     -15.4120      1.00000
     76     -15.4119      1.00000
     77     -15.4115      1.00000
     78     -15.4106      1.00000
     79     -15.4096      1.00000
     80     -15.4096      1.00000
     81     -15.4095      1.00000
     82     -15.4087      1.00000
     83     -15.4056      1.00000
     84     -15.4048      1.00000
     85     -15.4037      1.00000
     86     -15.4032      1.00000
     87     -15.4029      1.00000
     88     -15.4022      1.00000
     89     -15.4014      1.00000
     90     -15.4009      1.00000
     91     -15.3926      1.00000
     92     -15.3924      1.00000
     93     -15.3923      1.00000
     94     -15.3916      1.00000
     95     -15.3570      1.00000
     96     -15.3562      1.00000
     97     -14.8193      1.00000
     98     -14.8190      1.00000
     99     -14.7824      1.00000
    100     -14.7818      1.00000
    101     -14.7796      1.00000
    102     -14.7783      1.00000
    103     -14.7751      1.00000
    104     -14.7739      1.00000
    105     -14.7720      1.00000
    106     -14.7698      1.00000
    107     -14.7371      1.00000
    108     -14.7364      1.00000
    109     -14.7319      1.00000
    110     -14.7315      1.00000
    111     -14.7283      1.00000
    112     -14.7279      1.00000
    113     -14.7277      1.00000
    114     -14.7274      1.00000
    115     -14.7255      1.00000
    116     -14.7245      1.00000
    117     -14.7244      1.00000
    118     -14.7239      1.00000
    119     -14.7008      1.00000
    120     -14.7006      1.00000
    121     -14.6999      1.00000
    122     -14.6994      1.00000
    123     -14.6968      1.00000
    124     -14.6966      1.00000
    125     -14.6964      1.00000
    126     -14.6956      1.00000
    127     -14.6661      1.00000
    128     -14.6645      1.00000
    129     -14.6645      1.00000
    130     -14.6640      1.00000
    131     -14.6639      1.00000
    132     -14.6639      1.00000
    133     -14.6631      1.00000
    134     -14.6627      1.00000
    135     -14.6609      1.00000
    136     -14.6608      1.00000
    137     -14.6598      1.00000
    138     -14.6592      1.00000
    139     -14.6588      1.00000
    140     -14.6587      1.00000
    141     -14.6576      1.00000
    142     -14.6565      1.00000
    143     -14.6561      1.00000
    144     -14.6539      1.00000
    145     -14.6498      1.00000
    146     -14.6471      1.00000
    147     -14.6438      1.00000
    148     -14.6433      1.00000
    149     -14.6170      1.00000
    150     -14.6164      1.00000
    151     -14.6122      1.00000
    152     -14.6116      1.00000
    153     -14.6066      1.00000
    154     -14.6050      1.00000
    155     -14.5972      1.00000
    156     -14.5963      1.00000
    157     -14.5926      1.00000
    158     -14.5919      1.00000
    159     -14.5836      1.00000
    160     -14.5792      1.00000
    161     -14.3429      1.00000
    162     -14.3427      1.00000
    163     -14.3425      1.00000
    164     -14.3423      1.00000
    165     -14.3409      1.00000
    166     -14.3407      1.00000
    167     -14.3403      1.00000
    168     -14.3401      1.00000
    169     -14.2920      1.00000
    170     -14.2914      1.00000
    171     -14.2896      1.00000
    172     -14.2896      1.00000
    173     -14.2803      1.00000
    174     -14.2801      1.00000
    175     -14.2712      1.00000
    176     -14.2710      1.00000
    177     -14.2703      1.00000
    178     -14.2702      1.00000
    179     -14.2701      1.00000
    180     -14.2699      1.00000
    181     -14.2699      1.00000
    182     -14.2698      1.00000
    183     -14.2647      1.00000
    184     -14.2646      1.00000
    185     -14.2631      1.00000
    186     -14.2630      1.00000
    187     -14.2494      1.00000
    188     -14.2492      1.00000
    189     -14.2489      1.00000
    190     -14.2487      1.00000
    191     -14.2196      1.00000
    192     -14.2195      1.00000
    193     -14.1570      1.00000
    194     -14.1567      1.00000
    195     -14.1550      1.00000
    196     -14.1548      1.00000
    197     -14.1433      1.00000
    198     -14.1430      1.00000
    199     -14.1295      1.00000
    200     -14.1287      1.00000
    201     -14.1284      1.00000
    202     -14.1277      1.00000
    203     -14.1262      1.00000
    204     -14.1261      1.00000
    205     -14.1258      1.00000
    206     -14.1256      1.00000
    207     -14.1111      1.00000
    208     -14.1108      1.00000
    209     -14.1105      1.00000
    210     -14.1101      1.00000
    211     -14.1099      1.00000
    212     -14.1099      1.00000
    213     -14.1095      1.00000
    214     -14.1092      1.00000
    215     -14.1090      1.00000
    216     -14.1084      1.00000
    217     -14.1080      1.00000
    218     -14.1077      1.00000
    219     -14.0835      1.00000
    220     -14.0834      1.00000
    221     -14.0827      1.00000
    222     -14.0822      1.00000
    223     -14.0630      1.00000
    224     -14.0629      1.00000
    225     -14.0624      1.00000
    226     -14.0618      1.00000
    227     -14.0610      1.00000
    228     -14.0603      1.00000
    229     -14.0574      1.00000
    230     -14.0569      1.00000
    231     -14.0529      1.00000
    232     -14.0516      1.00000
    233     -14.0407      1.00000
    234     -14.0404      1.00000
    235     -14.0258      1.00000
    236     -14.0256      1.00000
    237     -14.0246      1.00000
    238     -14.0242      1.00000
    239     -14.0239      1.00000
    240     -14.0237      1.00000
    241     -14.0234      1.00000
    242     -14.0231      1.00000
    243     -14.0226      1.00000
    244     -14.0225      1.00000
    245     -14.0224      1.00000
    246     -14.0218      1.00000
    247     -14.0191      1.00000
    248     -14.0188      1.00000
    249     -14.0034      1.00000
    250     -14.0032      1.00000
    251     -14.0029      1.00000
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    842       0.9216      1.00000
    843       0.9347      1.00000
    844       0.9348      1.00000
    845       0.9380      1.00000
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    847       0.9419      1.00000
    848       0.9421      1.00000
    849       0.9535      1.00000
    850       0.9539      1.00000
    851       0.9546      1.00000
    852       0.9547      1.00000
    853       0.9615      1.00000
    854       0.9618      1.00000
    855       0.9699      1.00000
    856       0.9701      1.00000
    857       0.9721      1.00000
    858       0.9723      1.00000
    859       1.0684      1.00000
    860       1.0689      1.00000
    861       1.0690      1.00000
    862       1.0692      1.00000
    863       1.0694      1.00000
    864       1.0694      1.00000
    865       1.0695      1.00000
    866       1.0698      1.00000
    867       1.1594      1.00000
    868       1.1597      1.00000
    869       1.1598      1.00000
    870       1.1603      1.00000
    871       1.1612      1.00000
    872       1.1615      1.00000
    873       1.1623      1.00000
    874       1.1627      1.00000
    875       1.1768      1.00000
    876       1.1772      1.00000
    877       1.1773      1.00000
    878       1.1775      1.00000
    879       1.1833      1.00000
    880       1.1837      1.00000
    881       1.1860      1.00000
    882       1.1924      1.00000
    883       1.1956      1.00000
    884       1.1968      1.00000
    885       1.2009      1.00000
    886       1.2022      1.00000
    887       1.2033      1.00000
    888       1.2057      1.00000
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    890       1.2201      1.00000
    891       1.2303      1.00000
    892       1.2304      1.00000
    893       1.2309      1.00000
    894       1.2310      1.00000
    895       1.2343      1.00000
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    897       1.2360      1.00000
    898       1.2363      1.00000
    899       1.2369      1.00000
    900       1.2381      1.00000
    901       1.2909      1.00000
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    903       1.2917      1.00000
    904       1.2917      1.00000
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    913       1.3473      1.00000
    914       1.3477      1.00000
    915       1.3482      1.00000
    916       1.3483      1.00000
    917       1.3485      1.00000
    918       1.3487      1.00000
    919       1.3493      1.00000
    920       1.3497      1.00000
    921       1.3504      1.00000
    922       1.3508      1.00000
    923       1.3509      1.00000
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    926       1.3517      1.00000
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    928       1.3616      1.00000
    929       1.3622      1.00000
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    932       1.4568      1.00000
    933       1.4570      1.00000
    934       1.4572      1.00000
    935       1.4574      1.00000
    936       1.4575      1.00000
    937       1.4577      1.00000
    938       1.4580      1.00000
    939       1.4588      1.00000
    940       1.4589      1.00000
    941       1.4921      1.00000
    942       1.4924      1.00000
    943       1.4927      1.00000
    944       1.4929      1.00000
    945       1.4931      1.00000
    946       1.4933      1.00000
    947       1.4934      1.00000
    948       1.4939      1.00000
    949       1.5103      1.00000
    950       1.5106      1.00000
    951       1.5107      1.00000
    952       1.5109      1.00000
    953       1.5110      1.00000
    954       1.5113      1.00000
    955       1.5116      1.00000
    956       1.5118      1.00000
    957       1.5626      1.00000
    958       1.5627      1.00000
    959       1.5631      1.00000
    960       1.5631      1.00000
    961       1.5632      1.00000
    962       1.5633      1.00000
    963       1.5636      1.00000
    964       1.5637      1.00000
    965       1.6021      1.00000
    966       1.6022      1.00000
    967       1.6049      1.00000
    968       1.6052      1.00000
    969       1.6196      1.00000
    970       1.6198      1.00000
    971       1.6199      1.00000
    972       1.6204      1.00000
    973       1.6255      1.00000
    974       1.6256      1.00000
    975       1.6258      1.00000
    976       1.6264      1.00000
    977       1.6288      1.00000
    978       1.6292      1.00000
    979       1.6313      1.00000
    980       1.6315      1.00000
    981       1.6397      1.00000
    982       1.6405      1.00000
    983       1.6409      1.00000
    984       1.6411      1.00000
    985       1.6411      1.00000
    986       1.6414      1.00000
    987       1.6417      1.00000
    988       1.6418      1.00000
    989       1.6542      1.00000
    990       1.6546      1.00000
    991       1.6558      1.00000
    992       1.6562      1.00000
    993       1.6577      1.00000
    994       1.6579      1.00000
    995       1.6583      1.00000
    996       1.6585      1.00000
    997       1.6771      1.00000
    998       1.6776      1.00000
    999       1.6798      1.00000
   1000       1.6800      1.00000
   1001       1.7078      1.00000
   1002       1.7080      1.00000
   1003       1.7081      1.00000
   1004       1.7084      1.00000
   1005       1.7085      1.00000
   1006       1.7085      1.00000
   1007       1.7088      1.00000
   1008       1.7089      1.00000
   1009       1.8889      1.00000
   1010       1.8890      1.00000
   1011       1.8892      1.00000
   1012       1.8893      1.00000
   1013       1.8921      1.00000
   1014       1.8943      1.00000
   1015       1.9284      1.00000
   1016       1.9301      1.00000
   1017       1.9307      1.00000
   1018       1.9313      1.00000
   1019       1.9488      1.00000
   1020       1.9492      1.00000
   1021       1.9647      1.00000
   1022       1.9650      1.00000
   1023       1.9712      1.00000
   1024       1.9719      1.00000
   1025       2.9712      1.00986
   1026       2.9740      1.01030
   1027       2.9774      1.01083
   1028       2.9780      1.01093
   1029       2.9792      1.01112
   1030       2.9800      1.01125
   1031       3.2461      0.90043
   1032       3.2492      0.89282
   1033       3.2502      0.89026
   1034       3.2512      0.88781
   1035       3.3697      0.44990
   1036       3.3709      0.44486
   1037       3.3716      0.44169
   1038       3.3720      0.43994
   1039       3.3727      0.43722
   1040       3.3738      0.43245
   1041       3.3741      0.43117
   1042       3.3751      0.42717
   1043       3.3752      0.42662
   1044       3.3755      0.42537
   1045       3.3763      0.42210
   1046       3.3772      0.41856
   1047       3.4391      0.18550
   1048       3.4399      0.18295
   1049       3.4405      0.18096
   1050       3.4413      0.17846
   1051       3.4417      0.17742
   1052       3.4420      0.17624
   1053       3.4428      0.17380
   1054       3.4438      0.17080
   1055       3.5024      0.03243
   1056       3.5032      0.03113
   1057       3.5037      0.03025
   1058       3.5044      0.02918
   1059       3.5435     -0.01602
   1060       3.5447     -0.01691
   1061       3.5455     -0.01748
   1062       3.5460     -0.01784
   1063       3.5522     -0.02197
   1064       3.5533     -0.02264
   1065       3.5541     -0.02307
   1066       3.5546     -0.02336
   1067       3.5551     -0.02369
   1068       3.5557     -0.02398
   1069       3.5562     -0.02427
   1070       3.5574     -0.02491
   1071       3.5916     -0.03494
   1072       3.5922     -0.03500
   1073       3.5927     -0.03504
   1074       3.5932     -0.03508
   1075       3.5935     -0.03510
   1076       3.5943     -0.03516
   1077       3.5952     -0.03523
   1078       3.5956     -0.03525
   1079       3.6660     -0.02579
   1080       3.6668     -0.02562
   1081       3.6683     -0.02527
   1082       3.6703     -0.02480
   1083       3.7933     -0.00432
   1084       3.7948     -0.00420
   1085       3.7956     -0.00415
   1086       3.7961     -0.00410
   1087       3.8029     -0.00361
   1088       3.8043     -0.00352
   1089       3.8283     -0.00218
   1090       3.8292     -0.00214
   1091       3.9254     -0.00022
   1092       3.9269     -0.00022
   1093       3.9279     -0.00021
   1094       3.9283     -0.00021
   1095       3.9286     -0.00021
   1096       3.9287     -0.00021
   1097       3.9315     -0.00019
   1098       3.9323     -0.00019
   1099       3.9481     -0.00012
   1100       3.9492     -0.00012
   1101       3.9501     -0.00012
   1102       3.9503     -0.00012
   1103       3.9504     -0.00011
   1104       3.9509     -0.00011
   1105       3.9513     -0.00011
   1106       3.9524     -0.00011
   1107       3.9989     -0.00003
   1108       3.9995     -0.00003
   1109       4.0011     -0.00003
   1110       4.0033     -0.00002
   1111       4.0689     -0.00000
   1112       4.0727     -0.00000
   1113       4.0733     -0.00000
   1114       4.0736     -0.00000
   1115       4.1737     -0.00000
   1116       4.1741     -0.00000
   1117       4.1747     -0.00000
   1118       4.1750     -0.00000
   1119       4.1810     -0.00000
   1120       4.1825     -0.00000
   1121       6.7708     -0.00000
   1122       6.7710     -0.00000
   1123       6.7937     -0.00000
   1124       6.7938     -0.00000
   1125       7.3364     -0.00000
   1126       7.3382     -0.00000
   1127       7.3409     -0.00000
   1128       7.3414     -0.00000
   1129       7.3673     -0.00000
   1130       7.3681     -0.00000
   1131       7.5561     -0.00000
   1132       7.5562     -0.00000
   1133       7.5594     -0.00000
   1134       7.5596     -0.00000
   1135       7.6291     -0.00000
   1136       7.6298     -0.00000
   1137       7.6310     -0.00000
   1138       7.6312     -0.00000
   1139       7.7167     -0.00000
   1140       7.7178     -0.00000
   1141       7.7203     -0.00000
   1142       7.7208     -0.00000
   1143       7.9180     -0.00000
   1144       7.9182     -0.00000
   1145       7.9195     -0.00000
   1146       7.9203     -0.00000
   1147       7.9909     -0.00000
   1148       7.9913     -0.00000
   1149       7.9915     -0.00000
   1150       7.9916     -0.00000
   1151       7.9918     -0.00000
   1152       7.9926     -0.00000
   1153       7.9929     -0.00000
   1154       7.9940     -0.00000
   1155       8.0600     -0.00000
   1156       8.0603     -0.00000
   1157       8.1884     -0.00000
   1158       8.1884     -0.00000
   1159       8.1907     -0.00000
   1160       8.1910     -0.00000
   1161       8.1930     -0.00000
   1162       8.1932     -0.00000
   1163       8.1934     -0.00000
   1164       8.1939     -0.00000
   1165       8.2861     -0.00000
   1166       8.2864     -0.00000
   1167       8.2878     -0.00000
   1168       8.2880     -0.00000
   1169       8.2898     -0.00000
   1170       8.2906     -0.00000
   1171       8.2913     -0.00000
   1172       8.2918     -0.00000
   1173       8.2947     -0.00000
   1174       8.2947     -0.00000
   1175       8.3058     -0.00000
   1176       8.3059     -0.00000
   1177       8.3255     -0.00000
   1178       8.3258     -0.00000
   1179       8.3279     -0.00000
   1180       8.3282     -0.00000
   1181       8.3319     -0.00000
   1182       8.3319     -0.00000
   1183       8.3502     -0.00000
   1184       8.3508     -0.00000
   1185       8.3512     -0.00000
   1186       8.3517     -0.00000
   1187       8.3527     -0.00000
   1188       8.3532     -0.00000
   1189       8.3538     -0.00000
   1190       8.3543     -0.00000
   1191       8.3659     -0.00000
   1192       8.3660     -0.00000
   1193       8.3910     -0.00000
   1194       8.3917     -0.00000
   1195       8.3923     -0.00000
   1196       8.3926     -0.00000
   1197       8.3934     -0.00000
   1198       8.3946     -0.00000
   1199       8.3951     -0.00000
   1200       8.3962     -0.00000
   1201       8.5692     -0.00000
   1202       8.5696     -0.00000
   1203       8.5738     -0.00000
   1204       8.5763     -0.00000
   1205       8.6829     -0.00000
   1206       8.6833     -0.00000
   1207       8.6851     -0.00000
   1208       8.6853     -0.00000
   1209       8.6857     -0.00000
   1210       8.6861     -0.00000
   1211       8.6865     -0.00000
   1212       8.6865     -0.00000
   1213       8.7738     -0.00000
   1214       8.7739     -0.00000
   1215       8.7747     -0.00000
   1216       8.7749     -0.00000
   1217       8.7909     -0.00000
   1218       8.7910     -0.00000
   1219       8.7972     -0.00000
   1220       8.7973     -0.00000
   1221       8.7975     -0.00000
   1222       8.7978     -0.00000
   1223       8.8008     -0.00000
   1224       8.8010     -0.00000
   1225       8.8010     -0.00000
   1226       8.8013     -0.00000
   1227       8.8430      0.00000
   1228       8.8438      0.00000
   1229       8.8467      0.00000
   1230       8.8478      0.00000
   1231       8.8540      0.00000
   1232       8.8545      0.00000
   1233       8.8571      0.00000
   1234       8.8576      0.00000
   1235       8.8714      0.00000
   1236       8.8718      0.00000
   1237       8.8734      0.00000
   1238       8.8745      0.00000
   1239       8.8749      0.00000
   1240       8.8755      0.00000
   1241       8.8758      0.00000
   1242       8.8769      0.00000
   1243       8.9115      0.00000
   1244       8.9181      0.00000
   1245       8.9323      0.00000
   1246       8.9421      0.00000
   1247       8.9571      0.00000
   1248       9.0017      0.00000

 k-point     2 :       0.5000    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -23.4094      1.00000
      2     -23.4092      1.00000
      3     -23.4087      1.00000
      4     -23.4086      1.00000
      5     -23.3828      1.00000
      6     -23.3826      1.00000
      7     -23.3822      1.00000
      8     -23.3820      1.00000
      9     -23.3811      1.00000
     10     -23.3805      1.00000
     11     -23.3799      1.00000
     12     -23.3798      1.00000
     13     -23.3727      1.00000
     14     -23.3723      1.00000
     15     -23.3718      1.00000
     16     -23.3717      1.00000
     17     -23.3717      1.00000
     18     -23.3716      1.00000
     19     -23.3714      1.00000
     20     -23.3710      1.00000
     21     -23.3547      1.00000
     22     -23.3542      1.00000
     23     -23.3536      1.00000
     24     -23.3535      1.00000
     25     -23.3502      1.00000
     26     -23.3500      1.00000
     27     -23.3500      1.00000
     28     -23.3499      1.00000
     29     -23.3498      1.00000
     30     -23.3497      1.00000
     31     -23.3492      1.00000
     32     -23.3486      1.00000
     33     -23.3483      1.00000
     34     -23.3477      1.00000
     35     -23.3467      1.00000
     36     -23.3467      1.00000
     37     -23.3466      1.00000
     38     -23.3466      1.00000
     39     -23.3464      1.00000
     40     -23.3461      1.00000
     41     -23.3417      1.00000
     42     -23.3414      1.00000
     43     -23.3409      1.00000
     44     -23.3407      1.00000
     45     -23.3266      1.00000
     46     -23.3255      1.00000
     47     -23.3253      1.00000
     48     -23.3253      1.00000
     49     -23.3253      1.00000
     50     -23.3252      1.00000
     51     -23.3243      1.00000
     52     -23.3240      1.00000
     53     -23.3222      1.00000
     54     -23.3219      1.00000
     55     -23.3215      1.00000
     56     -23.3212      1.00000
     57     -23.3196      1.00000
     58     -23.3189      1.00000
     59     -23.3182      1.00000
     60     -23.3180      1.00000
     61     -23.3005      1.00000
     62     -23.2999      1.00000
     63     -23.2993      1.00000
     64     -23.2990      1.00000
     65     -15.4345      1.00000
     66     -15.4342      1.00000
     67     -15.4341      1.00000
     68     -15.4340      1.00000
     69     -15.4335      1.00000
     70     -15.4331      1.00000
     71     -15.4318      1.00000
     72     -15.4309      1.00000
     73     -15.4307      1.00000
     74     -15.4302      1.00000
     75     -15.4300      1.00000
     76     -15.4296      1.00000
     77     -15.4220      1.00000
     78     -15.4218      1.00000
     79     -15.4216      1.00000
     80     -15.4203      1.00000
     81     -15.4198      1.00000
     82     -15.4190      1.00000
     83     -15.4188      1.00000
     84     -15.4180      1.00000
     85     -15.3986      1.00000
     86     -15.3981      1.00000
     87     -15.3979      1.00000
     88     -15.3978      1.00000
     89     -15.3975      1.00000
     90     -15.3966      1.00000
     91     -15.3964      1.00000
     92     -15.3957      1.00000
     93     -15.3770      1.00000
     94     -15.3761      1.00000
     95     -15.3757      1.00000
     96     -15.3749      1.00000
     97     -14.8085      1.00000
     98     -14.8080      1.00000
     99     -14.8078      1.00000
    100     -14.8070      1.00000
    101     -14.7611      1.00000
    102     -14.7607      1.00000
    103     -14.7603      1.00000
    104     -14.7596      1.00000
    105     -14.7579      1.00000
    106     -14.7573      1.00000
    107     -14.7568      1.00000
    108     -14.7562      1.00000
    109     -14.7305      1.00000
    110     -14.7288      1.00000
    111     -14.7285      1.00000
    112     -14.7273      1.00000
    113     -14.7259      1.00000
    114     -14.7255      1.00000
    115     -14.7250      1.00000
    116     -14.7245      1.00000
    117     -14.7244      1.00000
    118     -14.7241      1.00000
    119     -14.7237      1.00000
    120     -14.7234      1.00000
    121     -14.7211      1.00000
    122     -14.7198      1.00000
    123     -14.7193      1.00000
    124     -14.7181      1.00000
    125     -14.6856      1.00000
    126     -14.6853      1.00000
    127     -14.6847      1.00000
    128     -14.6843      1.00000
    129     -14.6834      1.00000
    130     -14.6819      1.00000
    131     -14.6816      1.00000
    132     -14.6804      1.00000
    133     -14.6559      1.00000
    134     -14.6550      1.00000
    135     -14.6550      1.00000
    136     -14.6542      1.00000
    137     -14.6386      1.00000
    138     -14.6375      1.00000
    139     -14.6368      1.00000
    140     -14.6363      1.00000
    141     -14.6362      1.00000
    142     -14.6355      1.00000
    143     -14.6354      1.00000
    144     -14.6352      1.00000
    145     -14.6331      1.00000
    146     -14.6327      1.00000
    147     -14.6320      1.00000
    148     -14.6318      1.00000
    149     -14.6313      1.00000
    150     -14.6309      1.00000
    151     -14.6301      1.00000
    152     -14.6295      1.00000
    153     -14.6285      1.00000
    154     -14.6269      1.00000
    155     -14.6265      1.00000
    156     -14.6262      1.00000
    157     -14.6236      1.00000
    158     -14.6232      1.00000
    159     -14.6180      1.00000
    160     -14.6169      1.00000
    161     -14.2906      1.00000
    162     -14.2901      1.00000
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    960       1.5023      1.00000
    961       1.5707      1.00000
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    976       1.5784      1.00000
    977       1.6271      1.00000
    978       1.6273      1.00000
    979       1.6276      1.00000
    980       1.6278      1.00000
    981       1.6283      1.00000
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    985       1.6539      1.00000
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    987       1.6548      1.00000
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    989       1.6553      1.00000
    990       1.6553      1.00000
    991       1.6557      1.00000
    992       1.6565      1.00000
    993       1.7716      1.00000
    994       1.7720      1.00000
    995       1.7738      1.00000
    996       1.7751      1.00000
    997       1.7963      1.00000
    998       1.7968      1.00000
    999       1.7995      1.00000
   1000       1.8000      1.00000
   1001       1.8011      1.00000
   1002       1.8028      1.00000
   1003       1.8035      1.00000
   1004       1.8042      1.00000
   1005       1.8067      1.00000
   1006       1.8070      1.00000
   1007       1.8096      1.00000
   1008       1.8098      1.00000
   1009       1.8237      1.00000
   1010       1.8240      1.00000
   1011       1.8244      1.00000
   1012       1.8245      1.00000
   1013       1.8248      1.00000
   1014       1.8250      1.00000
   1015       1.8251      1.00000
   1016       1.8256      1.00000
   1017       1.8397      1.00000
   1018       1.8404      1.00000
   1019       1.8406      1.00000
   1020       1.8410      1.00000
   1021       1.8867      1.00000
   1022       1.8874      1.00000
   1023       1.8876      1.00000
   1024       1.8882      1.00000
   1025       3.1903      0.99906
   1026       3.1910      0.99821
   1027       3.1915      0.99767
   1028       3.1923      0.99681
   1029       3.1930      0.99595
   1030       3.1943      0.99444
   1031       3.1950      0.99359
   1032       3.1959      0.99249
   1033       3.2145      0.96550
   1034       3.2153      0.96417
   1035       3.2178      0.95991
   1036       3.2200      0.95602
   1037       3.3662      0.46448
   1038       3.3672      0.46017
   1039       3.3676      0.45872
   1040       3.3694      0.45103
   1041       3.3704      0.44667
   1042       3.3713      0.44322
   1043       3.3720      0.44033
   1044       3.3737      0.43298
   1045       3.3969      0.33805
   1046       3.3995      0.32779
   1047       3.3997      0.32704
   1048       3.4003      0.32480
   1049       3.4012      0.32109
   1050       3.4021      0.31751
   1051       3.4027      0.31540
   1052       3.4031      0.31366
   1053       3.4510      0.14916
   1054       3.4523      0.14528
   1055       3.4532      0.14287
   1056       3.4542      0.13994
   1057       3.5436     -0.01611
   1058       3.5438     -0.01624
   1059       3.5449     -0.01705
   1060       3.5479     -0.01918
   1061       3.5632     -0.02772
   1062       3.5641     -0.02811
   1063       3.5654     -0.02863
   1064       3.5659     -0.02883
   1065       3.5663     -0.02898
   1066       3.5668     -0.02918
   1067       3.5671     -0.02930
   1068       3.5676     -0.02950
   1069       3.5956     -0.03525
   1070       3.5980     -0.03537
   1071       3.5982     -0.03538
   1072       3.5987     -0.03539
   1073       3.5996     -0.03542
   1074       3.6010     -0.03545
   1075       3.6016     -0.03545
   1076       3.6018     -0.03545
   1077       3.6859     -0.02120
   1078       3.6874     -0.02087
   1079       3.6881     -0.02071
   1080       3.6884     -0.02064
   1081       3.6890     -0.02050
   1082       3.6898     -0.02032
   1083       3.6903     -0.02021
   1084       3.6906     -0.02015
   1085       3.6916     -0.01991
   1086       3.6926     -0.01970
   1087       3.6930     -0.01960
   1088       3.6941     -0.01937
   1089       3.8787     -0.00072
   1090       3.8792     -0.00071
   1091       3.8795     -0.00070
   1092       3.8822     -0.00066
   1093       3.9447     -0.00013
   1094       3.9477     -0.00012
   1095       3.9479     -0.00012
   1096       3.9482     -0.00012
   1097       3.9492     -0.00012
   1098       3.9506     -0.00011
   1099       3.9508     -0.00011
   1100       3.9511     -0.00011
   1101       3.9834     -0.00004
   1102       3.9841     -0.00004
   1103       3.9846     -0.00004
   1104       3.9864     -0.00004
   1105       3.9868     -0.00004
   1106       3.9874     -0.00004
   1107       3.9880     -0.00004
   1108       3.9902     -0.00004
   1109       4.0729     -0.00000
   1110       4.0737     -0.00000
   1111       4.0749     -0.00000
   1112       4.0754     -0.00000
   1113       4.0756     -0.00000
   1114       4.0764     -0.00000
   1115       4.0768     -0.00000
   1116       4.0771     -0.00000
   1117       4.0776     -0.00000
   1118       4.0789     -0.00000
   1119       4.0799     -0.00000
   1120       4.0806     -0.00000
   1121       7.1969     -0.00000
   1122       7.1971     -0.00000
   1123       7.1972     -0.00000
   1124       7.1974     -0.00000
   1125       7.2828     -0.00000
   1126       7.2829     -0.00000
   1127       7.2830     -0.00000
   1128       7.2832     -0.00000
   1129       7.6448     -0.00000
   1130       7.6454     -0.00000
   1131       7.6466     -0.00000
   1132       7.6472     -0.00000
   1133       7.6489     -0.00000
   1134       7.6500     -0.00000
   1135       7.6504     -0.00000
   1136       7.6518     -0.00000
   1137       7.6846     -0.00000
   1138       7.6853     -0.00000
   1139       7.6860     -0.00000
   1140       7.6871     -0.00000
   1141       7.8713     -0.00000
   1142       7.8714     -0.00000
   1143       7.8716     -0.00000
   1144       7.8718     -0.00000
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   1149       7.9679     -0.00000
   1150       7.9687     -0.00000
   1151       7.9691     -0.00000
   1152       7.9699     -0.00000
   1153       7.9702     -0.00000
   1154       7.9722     -0.00000
   1155       7.9730     -0.00000
   1156       7.9745     -0.00000
   1157       7.9820     -0.00000
   1158       7.9829     -0.00000
   1159       7.9831     -0.00000
   1160       7.9834     -0.00000
   1161       7.9835     -0.00000
   1162       7.9840     -0.00000
   1163       7.9843     -0.00000
   1164       7.9845     -0.00000
   1165       8.2205     -0.00000
   1166       8.2209     -0.00000
   1167       8.2213     -0.00000
   1168       8.2215     -0.00000
   1169       8.2221     -0.00000
   1170       8.2224     -0.00000
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   1172       8.2232     -0.00000
   1173       8.2642     -0.00000
   1174       8.2646     -0.00000
   1175       8.2649     -0.00000
   1176       8.2651     -0.00000
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   1178       8.2657     -0.00000
   1179       8.2660     -0.00000
   1180       8.2662     -0.00000
   1181       8.2850     -0.00000
   1182       8.2859     -0.00000
   1183       8.2860     -0.00000
   1184       8.2873     -0.00000
   1185       8.4096     -0.00000
   1186       8.4097     -0.00000
   1187       8.4100     -0.00000
   1188       8.4102     -0.00000
   1189       8.4350     -0.00000
   1190       8.4370     -0.00000
   1191       8.4374     -0.00000
   1192       8.4391     -0.00000
   1193       8.4399     -0.00000
   1194       8.4408     -0.00000
   1195       8.4415     -0.00000
   1196       8.4423     -0.00000
   1197       8.5944     -0.00000
   1198       8.5960     -0.00000
   1199       8.6022     -0.00000
   1200       8.6041     -0.00000
   1201       8.6046     -0.00000
   1202       8.6048     -0.00000
   1203       8.6053     -0.00000
   1204       8.6053     -0.00000
   1205       8.6090     -0.00000
   1206       8.6109     -0.00000
   1207       8.6111     -0.00000
   1208       8.6134     -0.00000
   1209       8.6299     -0.00000
   1210       8.6309     -0.00000
   1211       8.6353     -0.00000
   1212       8.6361     -0.00000
   1213       8.6694     -0.00000
   1214       8.6696     -0.00000
   1215       8.6697     -0.00000
   1216       8.6699     -0.00000
   1217       8.6820     -0.00000
   1218       8.6823     -0.00000
   1219       8.6826     -0.00000
   1220       8.6828     -0.00000
   1221       8.6830     -0.00000
   1222       8.6833     -0.00000
   1223       8.6833     -0.00000
   1224       8.6836     -0.00000
   1225       8.7295     -0.00000
   1226       8.7296     -0.00000
   1227       8.7300     -0.00000
   1228       8.7302     -0.00000
   1229       8.7872     -0.00000
   1230       8.7913     -0.00000
   1231       8.7965     -0.00000
   1232       8.7976     -0.00000
   1233       8.7982     -0.00000
   1234       8.7984     -0.00000
   1235       8.7994     -0.00000
   1236       8.7997     -0.00000
   1237       8.8002     -0.00000
   1238       8.8008     -0.00000
   1239       8.8067     -0.00000
   1240       8.8171     -0.00000
   1241       8.8384      0.00000
   1242       8.8509      0.00000
   1243       8.8546      0.00000
   1244       8.8614      0.00000
   1245       8.8630      0.00000
   1246       8.8652      0.00000
   1247       8.8788      0.00000
   1248       8.8923      0.00000

 k-point     3 :      -0.0000    0.5000   -0.0000
  band No.  band energies     occupation 
      1     -23.4101      1.00000
      2     -23.4097      1.00000
      3     -23.4082      1.00000
      4     -23.4077      1.00000
      5     -23.3836      1.00000
      6     -23.3832      1.00000
      7     -23.3817      1.00000
      8     -23.3815      1.00000
      9     -23.3812      1.00000
     10     -23.3809      1.00000
     11     -23.3796      1.00000
     12     -23.3789      1.00000
     13     -23.3736      1.00000
     14     -23.3735      1.00000
     15     -23.3728      1.00000
     16     -23.3723      1.00000
     17     -23.3715      1.00000
     18     -23.3705      1.00000
     19     -23.3701      1.00000
     20     -23.3699      1.00000
     21     -23.3553      1.00000
     22     -23.3548      1.00000
     23     -23.3533      1.00000
     24     -23.3527      1.00000
     25     -23.3511      1.00000
     26     -23.3510      1.00000
     27     -23.3509      1.00000
     28     -23.3506      1.00000
     29     -23.3494      1.00000
     30     -23.3494      1.00000
     31     -23.3493      1.00000
     32     -23.3488      1.00000
     33     -23.3476      1.00000
     34     -23.3475      1.00000
     35     -23.3475      1.00000
     36     -23.3473      1.00000
     37     -23.3456      1.00000
     38     -23.3455      1.00000
     39     -23.3455      1.00000
     40     -23.3454      1.00000
     41     -23.3425      1.00000
     42     -23.3419      1.00000
     43     -23.3406      1.00000
     44     -23.3400      1.00000
     45     -23.3273      1.00000
     46     -23.3272      1.00000
     47     -23.3262      1.00000
     48     -23.3260      1.00000
     49     -23.3244      1.00000
     50     -23.3242      1.00000
     51     -23.3233      1.00000
     52     -23.3232      1.00000
     53     -23.3229      1.00000
     54     -23.3224      1.00000
     55     -23.3211      1.00000
     56     -23.3205      1.00000
     57     -23.3201      1.00000
     58     -23.3193      1.00000
     59     -23.3181      1.00000
     60     -23.3173      1.00000
     61     -23.3011      1.00000
     62     -23.3004      1.00000
     63     -23.2990      1.00000
     64     -23.2983      1.00000
     65     -15.4347      1.00000
     66     -15.4346      1.00000
     67     -15.4343      1.00000
     68     -15.4335      1.00000
     69     -15.4332      1.00000
     70     -15.4329      1.00000
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   1146       7.9087     -0.00000
   1147       7.9090     -0.00000
   1148       7.9092     -0.00000
   1149       7.9095     -0.00000
   1150       7.9098     -0.00000
   1151       7.9101     -0.00000
   1152       7.9110     -0.00000
   1153       7.9906     -0.00000
   1154       7.9910     -0.00000
   1155       7.9912     -0.00000
   1156       7.9913     -0.00000
   1157       7.9916     -0.00000
   1158       7.9919     -0.00000
   1159       7.9920     -0.00000
   1160       7.9922     -0.00000
   1161       7.9924     -0.00000
   1162       7.9925     -0.00000
   1163       7.9927     -0.00000
   1164       7.9930     -0.00000
   1165       7.9937     -0.00000
   1166       7.9945     -0.00000
   1167       7.9949     -0.00000
   1168       7.9954     -0.00000
   1169       8.3092     -0.00000
   1170       8.3095     -0.00000
   1171       8.3098     -0.00000
   1172       8.3105     -0.00000
   1173       8.3116     -0.00000
   1174       8.3120     -0.00000
   1175       8.3122     -0.00000
   1176       8.3127     -0.00000
   1177       8.3129     -0.00000
   1178       8.3130     -0.00000
   1179       8.3137     -0.00000
   1180       8.3143     -0.00000
   1181       8.3145     -0.00000
   1182       8.3152     -0.00000
   1183       8.3156     -0.00000
   1184       8.3160     -0.00000
   1185       8.3831     -0.00000
   1186       8.3834     -0.00000
   1187       8.3835     -0.00000
   1188       8.3843     -0.00000
   1189       8.3844     -0.00000
   1190       8.3850     -0.00000
   1191       8.3850     -0.00000
   1192       8.3854     -0.00000
   1193       8.3856     -0.00000
   1194       8.3861     -0.00000
   1195       8.3862     -0.00000
   1196       8.3864     -0.00000
   1197       8.3866     -0.00000
   1198       8.3870     -0.00000
   1199       8.3873     -0.00000
   1200       8.3880     -0.00000
   1201       8.5296     -0.00000
   1202       8.5306     -0.00000
   1203       8.5311     -0.00000
   1204       8.5314     -0.00000
   1205       8.5333     -0.00000
   1206       8.5338     -0.00000
   1207       8.5342     -0.00000
   1208       8.5345     -0.00000
   1209       8.6822     -0.00000
   1210       8.6823     -0.00000
   1211       8.6830     -0.00000
   1212       8.6831     -0.00000
   1213       8.6844     -0.00000
   1214       8.6845     -0.00000
   1215       8.6847     -0.00000
   1216       8.6849     -0.00000
   1217       8.6856     -0.00000
   1218       8.6858     -0.00000
   1219       8.6863     -0.00000
   1220       8.6865     -0.00000
   1221       8.6874     -0.00000
   1222       8.6880     -0.00000
   1223       8.6883     -0.00000
   1224       8.6886     -0.00000
   1225       8.8300      0.00000
   1226       8.8304      0.00000
   1227       8.8304      0.00000
   1228       8.8308      0.00000
   1229       8.8323      0.00000
   1230       8.8326      0.00000
   1231       8.8329      0.00000
   1232       8.8337      0.00000
   1233       8.8666      0.00000
   1234       8.8667      0.00000
   1235       8.8670      0.00000
   1236       8.8673      0.00000
   1237       8.8691      0.00000
   1238       8.8692      0.00000
   1239       8.8697      0.00000
   1240       8.8702      0.00000
   1241       8.9210      0.00000
   1242       8.9249      0.00000
   1243       8.9272      0.00000
   1244       8.9281      0.00000
   1245       8.9334      0.00000
   1246       8.9384      0.00000
   1247       8.9487      0.00000
   1248       8.9898      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           3
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           4
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  1.440   0.000   6.366   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  6.366   0.000  27.825   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   5.915   0.000   0.000   0.000   0.000   0.020
 -0.000   0.000  -0.000   0.000   0.000   0.000   5.915   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000  -0.020   0.000   0.000   5.915   0.000
 pseudopotential strength for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.020  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000   0.020  -0.000   0.000  -0.020  -0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.020  -0.000  -0.000   0.000
 pseudopotential strength for first ion, spin component:           3
 -0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.020  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.020  -0.000  -0.000   0.020   0.000
 -0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.020   0.000  -0.000  -0.000
 pseudopotential strength for first ion, spin component:           4
  1.440   0.000   6.366   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  6.366   0.000  27.825   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   5.915   0.000   0.000   0.000   0.000  -0.020
 -0.000   0.000  -0.000   0.000   0.000   0.000   5.915   0.000  -0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.020  -0.000   0.000   5.915   0.000
 total augmentation occupancy for first ion, spin component:           1
  0.524   0.004  -0.000  -0.000   0.000
  0.004   0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.032  -0.000   0.000
 -0.000  -0.000  -0.000   0.033  -0.000
  0.000   0.000   0.000  -0.000   0.032
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000  -0.000
 -0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000
  0.000   0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           3
  0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000
 -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000   0.000   0.000  -0.000
 -0.000  -0.000   0.000  -0.000   0.000
 total augmentation occupancy for first ion, spin component:           4
 -0.000   0.000   0.000  -0.000   0.000
  0.000   0.000   0.000  -0.000   0.000
  0.000   0.000  -0.000   0.000  -0.000
 -0.000  -0.000   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.062   0.061   0.000   0.123
    2        0.062   0.061   0.000   0.123
    3        0.062   0.061   0.000   0.124
    4        0.062   0.061   0.000   0.123
    5        0.062   0.061   0.000   0.123
    6        0.062   0.061   0.000   0.123
    7        0.062   0.061   0.000   0.123
    8        0.062   0.061   0.000   0.123
    9        0.062   0.061   0.000   0.123
   10        0.062   0.061   0.000   0.123
   11        0.062   0.061   0.000   0.123
   12        0.062   0.061   0.000   0.123
   13        0.062   0.061   0.000   0.123
   14        0.062   0.061   0.000   0.123
   15        0.062   0.061   0.000   0.123
   16        0.062   0.061   0.000   0.123
   17        0.719   1.188   5.677   7.583
   18        0.718   1.187   5.684   7.589
   19        0.719   1.188   5.705   7.612
   20        0.718   1.187   5.668   7.574
   21        0.720   1.191   5.679   7.591
   22        0.720   1.192   5.678   7.589
   23        0.717   1.183   5.680   7.579
   24        0.717   1.183   5.681   7.580
   25        0.720   1.191   5.685   7.596
   26        0.720   1.191   5.680   7.591
   27        0.717   1.182   5.684   7.583
   28        0.717   1.182   5.671   7.569
   29        0.718   1.187   5.687   7.592
   30        0.718   1.187   5.673   7.579
   31        0.718   1.187   5.688   7.593
   32        0.718   1.187   5.682   7.587
   33        1.998   5.621   0.237   7.856
   34        1.998   5.621   0.237   7.856
   35        1.998   5.621   0.237   7.856
   36        1.998   5.621   0.237   7.856
   37        1.998   5.621   0.237   7.856
   38        1.998   5.621   0.237   7.856
   39        1.998   5.621   0.237   7.856
   40        1.998   5.621   0.237   7.856
   41        1.998   5.621   0.237   7.856
   42        1.998   5.621   0.237   7.856
   43        1.998   5.621   0.237   7.856
   44        1.998   5.621   0.237   7.856
   45        1.998   5.621   0.237   7.856
   46        1.998   5.621   0.237   7.856
   47        1.998   5.621   0.237   7.856
   48        1.998   5.621   0.237   7.856
   49        1.998   5.621   0.237   7.856
   50        1.998   5.621   0.237   7.856
   51        1.998   5.621   0.237   7.856
   52        1.998   5.621   0.237   7.856
   53        1.998   5.621   0.237   7.856
   54        1.998   5.621   0.237   7.856
   55        1.998   5.621   0.237   7.856
   56        1.998   5.621   0.237   7.856
   57        1.998   5.621   0.237   7.856
   58        1.998   5.621   0.237   7.856
   59        1.998   5.621   0.237   7.856
   60        1.998   5.621   0.237   7.856
   61        1.998   5.621   0.237   7.856
   62        1.998   5.621   0.237   7.856
   63        1.998   5.621   0.237   7.856
   64        1.998   5.621   0.237   7.856
   65        1.568   3.416   0.000   4.984
   66        1.568   3.417   0.000   4.985
   67        1.568   3.419   0.000   4.987
   68        1.568   3.416   0.000   4.984
   69        1.568   3.417   0.000   4.985
   70        1.568   3.416   0.000   4.984
   71        1.568   3.416   0.000   4.984
   72        1.568   3.419   0.000   4.987
   73        1.568   3.416   0.000   4.984
   74        1.568   3.417   0.000   4.985
   75        1.568   3.419   0.000   4.986
   76        1.568   3.416   0.000   4.983
   77        1.568   3.417   0.000   4.985
   78        1.568   3.416   0.000   4.984
   79        1.568   3.416   0.000   4.983
   80        1.568   3.419   0.000   4.986
   81        1.568   3.418   0.000   4.986
   82        1.568   3.419   0.000   4.987
   83        1.568   3.421   0.000   4.989
   84        1.568   3.418   0.000   4.986
   85        1.568   3.418   0.000   4.986
   86        1.568   3.421   0.000   4.989
   87        1.568   3.419   0.000   4.987
   88        1.568   3.418   0.000   4.986
   89        1.568   3.416   0.000   4.984
   90        1.568   3.416   0.000   4.984
   91        1.567   3.417   0.000   4.984
   92        1.567   3.417   0.000   4.984
   93        1.568   3.416   0.000   4.984
   94        1.568   3.416   0.000   4.984
   95        1.567   3.417   0.000   4.984
   96        1.567   3.417   0.000   4.984
   97        1.568   3.416   0.000   4.984
   98        1.568   3.416   0.000   4.983
   99        1.567   3.417   0.000   4.984
  100        1.567   3.417   0.000   4.984
  101        1.568   3.416   0.000   4.984
  102        1.568   3.416   0.000   4.983
  103        1.567   3.417   0.000   4.984
  104        1.567   3.417   0.000   4.984
  105        1.568   3.418   0.000   4.986
  106        1.568   3.418   0.000   4.986
  107        1.568   3.419   0.000   4.987
  108        1.568   3.419   0.000   4.987
  109        1.568   3.418   0.000   4.986
  110        1.568   3.418   0.000   4.986
  111        1.568   3.418   0.000   4.986
  112        1.568   3.418   0.000   4.986
  113        1.568   3.416   0.000   4.984
  114        1.568   3.416   0.000   4.984
  115        1.567   3.417   0.000   4.985
  116        1.567   3.416   0.000   4.983
  117        1.568   3.417   0.000   4.984
  118        1.568   3.416   0.000   4.984
  119        1.567   3.417   0.000   4.985
  120        1.567   3.416   0.000   4.984
  121        1.568   3.417   0.000   4.984
  122        1.568   3.416   0.000   4.984
  123        1.567   3.417   0.000   4.984
  124        1.567   3.416   0.000   4.983
  125        1.568   3.416   0.000   4.984
  126        1.568   3.417   0.000   4.984
  127        1.567   3.416   0.000   4.983
  128        1.567   3.417   0.000   4.984
  129        1.568   3.419   0.000   4.987
  130        1.568   3.418   0.000   4.986
  131        1.568   3.419   0.000   4.987
  132        1.568   3.418   0.000   4.986
  133        1.568   3.419   0.000   4.987
  134        1.568   3.418   0.000   4.986
  135        1.568   3.419   0.000   4.987
  136        1.568   3.418   0.000   4.986
  137        1.568   3.417   0.000   4.985
  138        1.568   3.416   0.000   4.984
  139        1.568   3.418   0.000   4.985
  140        1.568   3.417   0.000   4.985
  141        1.568   3.417   0.000   4.985
  142        1.568   3.416   0.000   4.984
  143        1.568   3.418   0.000   4.985
  144        1.568   3.417   0.000   4.985
  145        1.568   3.417   0.000   4.985
  146        1.568   3.416   0.000   4.983
  147        1.568   3.417   0.000   4.985
  148        1.568   3.417   0.000   4.984
  149        1.568   3.417   0.000   4.985
  150        1.568   3.416   0.000   4.983
  151        1.568   3.417   0.000   4.985
  152        1.568   3.417   0.000   4.984
  153        1.568   3.419   0.000   4.987
  154        1.568   3.418   0.000   4.986
  155        1.568   3.420   0.000   4.988
  156        1.568   3.419   0.000   4.987
  157        1.568   3.419   0.000   4.987
  158        1.568   3.420   0.000   4.988
  159        1.568   3.418   0.000   4.986
  160        1.568   3.419   0.000   4.987
--------------------------------------------------
tot        226.903 527.919  98.493 853.315
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17        0.000   0.000   0.014   0.015
   18       -0.000  -0.000  -0.022  -0.023
   19        0.000   0.000   0.005   0.005
   20        0.000   0.000   0.004   0.004
   21       -0.000  -0.000  -0.025  -0.026
   22       -0.000  -0.000  -0.035  -0.036
   23        0.000   0.000   0.059   0.059
   24        0.000   0.000   0.023   0.023
   25       -0.000  -0.000  -0.026  -0.026
   26       -0.000  -0.000  -0.036  -0.037
   27        0.000   0.000   0.056   0.057
   28        0.000   0.000   0.028   0.029
   29        0.000   0.000   0.009   0.009
   30       -0.000  -0.000  -0.024  -0.025
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.004   0.004
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.001
   35        0.000   0.000   0.000   0.001
   36        0.000   0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38       -0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000   0.000   0.001   0.001
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000  -0.000  -0.000  -0.001
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.001
   45       -0.000  -0.000  -0.000  -0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48        0.000   0.000   0.000   0.000
   49       -0.000  -0.000  -0.000  -0.000
   50       -0.000  -0.000  -0.000  -0.000
   51        0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58       -0.000  -0.000  -0.000  -0.000
   59        0.000   0.000   0.000   0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66       -0.000  -0.002   0.000  -0.002
   67        0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69       -0.000  -0.001   0.000  -0.002
   70        0.000   0.001   0.000   0.001
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74       -0.000  -0.002   0.000  -0.002
   75        0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77       -0.000  -0.002   0.000  -0.002
   78        0.000   0.001   0.000   0.001
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.001   0.000   0.001
   82       -0.000  -0.001   0.000  -0.001
   83        0.000  -0.000   0.000  -0.000
   84        0.000  -0.000   0.000  -0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.002   0.000  -0.002
   88        0.000   0.000   0.000   0.000
   89       -0.000  -0.002   0.000  -0.002
   90       -0.000  -0.002   0.000  -0.002
   91        0.000   0.004   0.000   0.004
   92        0.000   0.002   0.000   0.002
   93       -0.000  -0.002   0.000  -0.003
   94       -0.000  -0.002   0.000  -0.002
   95        0.000   0.002   0.000   0.002
   96        0.000   0.004   0.000   0.004
   97       -0.000  -0.002   0.000  -0.002
   98       -0.000  -0.002   0.000  -0.002
   99        0.000   0.004   0.000   0.004
  100        0.000   0.002   0.000   0.002
  101       -0.000  -0.002   0.000  -0.002
  102       -0.000  -0.002   0.000  -0.002
  103        0.000   0.004   0.000   0.004
  104        0.000   0.001   0.000   0.002
  105       -0.000  -0.001   0.000  -0.001
  106       -0.000  -0.002   0.000  -0.002
  107        0.000   0.003   0.000   0.003
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.001   0.000  -0.001
  110       -0.000  -0.002   0.000  -0.002
  111        0.000   0.003   0.000   0.003
  112        0.000   0.001   0.000   0.001
  113       -0.000  -0.002   0.000  -0.002
  114       -0.000  -0.003   0.000  -0.003
  115        0.000   0.004   0.000   0.004
  116        0.000   0.002   0.000   0.002
  117       -0.000  -0.002   0.000  -0.002
  118       -0.000  -0.002   0.000  -0.002
  119        0.000   0.004   0.000   0.004
  120        0.000   0.002   0.000   0.002
  121       -0.000  -0.002   0.000  -0.002
  122       -0.000  -0.002   0.000  -0.002
  123        0.000   0.004   0.000   0.004
  124        0.000   0.002   0.000   0.002
  125       -0.000  -0.002   0.000  -0.002
  126       -0.000  -0.002   0.000  -0.002
  127        0.000   0.002   0.000   0.002
  128        0.000   0.004   0.000   0.004
  129       -0.000  -0.002   0.000  -0.002
  130       -0.000  -0.002   0.000  -0.002
  131        0.000   0.003   0.000   0.003
  132        0.000   0.002   0.000   0.002
  133       -0.000  -0.001   0.000  -0.001
  134       -0.000  -0.002   0.000  -0.002
  135        0.000   0.003   0.000   0.003
  136        0.000   0.002   0.000   0.002
  137        0.000   0.001   0.000   0.001
  138       -0.000  -0.002   0.000  -0.002
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141        0.000   0.001   0.000   0.001
  142       -0.000  -0.002   0.000  -0.002
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145        0.000   0.001   0.000   0.001
  146       -0.000  -0.002   0.000  -0.002
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149        0.000   0.001   0.000   0.001
  150       -0.000  -0.002   0.000  -0.002
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153        0.000   0.001   0.000   0.001
  154       -0.000  -0.001   0.000  -0.001
  155        0.000  -0.000   0.000  -0.000
  156        0.000  -0.000   0.000  -0.000
  157        0.000   0.001   0.000   0.001
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.002   0.000  -0.002
  160        0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.001   0.016   0.037   0.053
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.017  -0.017
   18        0.000   0.000   0.000   0.000
   19        0.000   0.000   0.002   0.002
   20        0.000   0.000   0.008   0.008
   21       -0.000  -0.000  -0.002  -0.002
   22       -0.000  -0.000  -0.011  -0.011
   23        0.000   0.000   0.009   0.009
   24        0.000   0.000   0.009   0.009
   25       -0.000  -0.000  -0.001  -0.001
   26       -0.000  -0.000  -0.010  -0.010
   27        0.000   0.000   0.009   0.010
   28        0.000   0.000   0.007   0.007
   29       -0.000  -0.000  -0.010  -0.010
   30       -0.000  -0.000  -0.002  -0.002
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.005   0.005
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38        0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40       -0.000   0.000  -0.000  -0.000
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000   0.000  -0.000  -0.000
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.000
   45        0.000   0.000   0.000   0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48       -0.000   0.000  -0.000  -0.000
   49       -0.000  -0.000  -0.000  -0.000
   50        0.000  -0.000  -0.000  -0.000
   51       -0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58        0.000  -0.000  -0.000  -0.000
   59       -0.000   0.000  -0.000  -0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66       -0.000  -0.000   0.000  -0.000
   67        0.000   0.000   0.000   0.000
   68        0.000   0.001   0.000   0.001
   69       -0.000  -0.000   0.000  -0.000
   70       -0.000  -0.001   0.000  -0.001
   71        0.000   0.001   0.000   0.001
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75        0.000   0.000   0.000   0.000
   76        0.000   0.001   0.000   0.001
   77        0.000   0.000   0.000   0.000
   78       -0.000  -0.001   0.000  -0.001
   79        0.000   0.001   0.000   0.001
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83        0.000   0.000   0.000   0.000
   84        0.000   0.000   0.000   0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.000   0.000  -0.000
   88       -0.000  -0.001   0.000  -0.001
   89       -0.000  -0.000   0.000  -0.000
   90       -0.000  -0.001   0.000  -0.001
   91        0.000   0.001   0.000   0.001
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.001   0.000  -0.001
   94       -0.000  -0.000   0.000  -0.000
   95        0.000   0.001   0.000   0.001
   96        0.000   0.001   0.000   0.001
   97       -0.000  -0.000   0.000  -0.000
   98       -0.000  -0.001   0.000  -0.001
   99        0.000   0.000   0.000   0.001
  100        0.000   0.000   0.000   0.001
  101       -0.000   0.000   0.000   0.000
  102       -0.000  -0.001   0.000  -0.001
  103        0.000   0.000   0.000   0.000
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.001   0.000   0.001
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.000   0.000  -0.000
  110       -0.000  -0.001   0.000  -0.001
  111        0.000   0.000   0.000   0.000
  112        0.000   0.000   0.000   0.000
  113       -0.000  -0.000   0.000  -0.000
  114       -0.000  -0.001   0.000  -0.001
  115        0.000   0.001   0.000   0.001
  116        0.000   0.001   0.000   0.001
  117       -0.000  -0.000   0.000  -0.000
  118       -0.000  -0.001   0.000  -0.001
  119        0.000   0.001   0.000   0.001
  120        0.000   0.001   0.000   0.001
  121       -0.000   0.000   0.000   0.000
  122       -0.000  -0.001   0.000  -0.001
  123        0.000   0.000   0.000   0.000
  124        0.000   0.000   0.000   0.000
  125       -0.000  -0.001   0.000  -0.001
  126       -0.000  -0.000   0.000  -0.000
  127        0.000   0.000   0.000   0.000
  128        0.000   0.001   0.000   0.001
  129       -0.000  -0.000   0.000  -0.000
  130       -0.000  -0.001   0.000  -0.001
  131        0.000   0.001   0.000   0.001
  132        0.000   0.000   0.000   0.000
  133       -0.000  -0.000   0.000  -0.000
  134       -0.000  -0.000   0.000  -0.000
  135        0.000   0.000   0.000   0.000
  136        0.000   0.000   0.000   0.000
  137       -0.000  -0.001   0.000  -0.001
  138       -0.000  -0.000   0.000  -0.000
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141       -0.000  -0.001   0.000  -0.001
  142       -0.000  -0.000   0.000  -0.000
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145       -0.000  -0.001   0.000  -0.001
  146       -0.000  -0.000   0.000  -0.000
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149       -0.000  -0.001   0.000  -0.001
  150       -0.000  -0.000   0.000  -0.000
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.000   0.000   0.000
  155        0.000   0.000   0.000   0.000
  156        0.000   0.000   0.000   0.000
  157        0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000  -0.000   0.000  -0.000
  160       -0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.000   0.000   0.000   0.000
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17       -0.000  -0.000  -0.055  -0.056
   18       -0.000  -0.000  -0.043  -0.044
   19        0.000   0.000   0.045   0.046
   20        0.000   0.000   0.061   0.062
   21        0.000   0.000   0.038   0.038
   22       -0.000  -0.000  -0.004  -0.004
   23       -0.000  -0.000  -0.016  -0.016
   24       -0.000  -0.000  -0.037  -0.037
   25        0.000   0.000   0.036   0.037
   26       -0.000  -0.000  -0.003  -0.003
   27       -0.000  -0.000  -0.020  -0.020
   28       -0.000  -0.000  -0.029  -0.029
   29       -0.000  -0.000  -0.036  -0.036
   30       -0.000  -0.000  -0.056  -0.056
   31        0.000   0.000   0.034   0.035
   32        0.000   0.000   0.042   0.042
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000   0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37        0.000  -0.000   0.000   0.000
   38        0.000   0.000   0.001   0.001
   39       -0.000  -0.000  -0.001  -0.001
   40       -0.000  -0.000  -0.000  -0.001
   41       -0.000  -0.000  -0.000  -0.001
   42       -0.000   0.000  -0.000  -0.000
   43        0.000  -0.000   0.000   0.000
   44        0.000  -0.000   0.000   0.000
   45        0.000  -0.000   0.001   0.001
   46        0.000   0.000   0.000   0.000
   47       -0.000  -0.000  -0.000  -0.001
   48       -0.000  -0.000  -0.001  -0.001
   49        0.000   0.000   0.000   0.001
   50        0.000   0.000   0.000   0.001
   51       -0.000  -0.000  -0.001  -0.001
   52       -0.000  -0.000  -0.000  -0.001
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57        0.000   0.000   0.000   0.001
   58        0.000   0.000   0.000   0.001
   59       -0.000  -0.000  -0.001  -0.001
   60       -0.000  -0.000  -0.000  -0.001
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.003   0.000  -0.003
   66       -0.000  -0.003   0.000  -0.003
   67        0.000   0.003   0.000   0.003
   68        0.000   0.004   0.000   0.004
   69       -0.000  -0.003   0.000  -0.003
   70       -0.000  -0.003   0.000  -0.003
   71        0.000   0.004   0.000   0.004
   72        0.000   0.003   0.000   0.003
   73       -0.000  -0.004   0.000  -0.004
   74       -0.000  -0.003   0.000  -0.003
   75        0.000   0.003   0.000   0.003
   76        0.000   0.004   0.000   0.004
   77       -0.000  -0.003   0.000  -0.003
   78       -0.000  -0.003   0.000  -0.003
   79        0.000   0.004   0.000   0.004
   80        0.000   0.003   0.000   0.003
   81       -0.000  -0.004   0.000  -0.004
   82       -0.000  -0.003   0.000  -0.003
   83        0.000   0.003   0.000   0.003
   84        0.000   0.004   0.000   0.004
   85        0.000   0.003   0.000   0.003
   86        0.000   0.002   0.000   0.002
   87       -0.000  -0.002   0.000  -0.002
   88       -0.000  -0.003   0.000  -0.003
   89        0.000   0.002   0.000   0.002
   90       -0.000  -0.000   0.000  -0.000
   91       -0.000  -0.001   0.000  -0.001
   92       -0.000  -0.003   0.000  -0.003
   93       -0.000  -0.000   0.000  -0.000
   94        0.000   0.002   0.000   0.002
   95       -0.000  -0.002   0.000  -0.002
   96       -0.000  -0.001   0.000  -0.001
   97        0.000   0.002   0.000   0.002
   98       -0.000  -0.000   0.000  -0.000
   99       -0.000  -0.001   0.000  -0.001
  100       -0.000  -0.002   0.000  -0.002
  101        0.000   0.002   0.000   0.002
  102       -0.000  -0.000   0.000  -0.000
  103       -0.000  -0.001   0.000  -0.001
  104       -0.000  -0.002   0.000  -0.002
  105        0.000   0.002   0.000   0.002
  106       -0.000  -0.001   0.000  -0.001
  107       -0.000   0.000   0.000  -0.000
  108       -0.000  -0.001   0.000  -0.001
  109        0.000   0.003   0.000   0.003
  110       -0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.003   0.000  -0.003
  113        0.000   0.002   0.000   0.002
  114       -0.000  -0.000   0.000  -0.000
  115       -0.000  -0.001   0.000  -0.001
  116       -0.000  -0.002   0.000  -0.002
  117        0.000   0.002   0.000   0.002
  118       -0.000  -0.000   0.000  -0.000
  119       -0.000  -0.001   0.000  -0.001
  120       -0.000  -0.002   0.000  -0.002
  121        0.000   0.002   0.000   0.002
  122       -0.000  -0.000   0.000  -0.000
  123       -0.000  -0.001   0.000  -0.001
  124       -0.000  -0.002   0.000  -0.002
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.002   0.000   0.002
  127       -0.000  -0.002   0.000  -0.002
  128       -0.000  -0.001   0.000  -0.001
  129        0.000   0.001   0.000   0.001
  130       -0.000  -0.001   0.000  -0.001
  131       -0.000  -0.000   0.000  -0.000
  132       -0.000  -0.001   0.000  -0.001
  133        0.000   0.003   0.000   0.003
  134       -0.000   0.000   0.000   0.000
  135       -0.000  -0.002   0.000  -0.002
  136       -0.000  -0.002   0.000  -0.002
  137       -0.000  -0.002   0.000  -0.002
  138       -0.000  -0.004   0.000  -0.004
  139        0.000   0.002   0.000   0.002
  140        0.000   0.003   0.000   0.003
  141       -0.000  -0.002   0.000  -0.002
  142       -0.000  -0.003   0.000  -0.004
  143        0.000   0.002   0.000   0.002
  144        0.000   0.003   0.000   0.003
  145       -0.000  -0.002   0.000  -0.002
  146       -0.000  -0.004   0.000  -0.004
  147        0.000   0.002   0.000   0.002
  148        0.000   0.003   0.000   0.003
  149       -0.000  -0.002   0.000  -0.002
  150       -0.000  -0.003   0.000  -0.004
  151        0.000   0.002   0.000   0.002
  152        0.000   0.003   0.000   0.003
  153       -0.000  -0.002   0.000  -0.002
  154       -0.000  -0.003   0.000  -0.003
  155        0.000   0.002   0.000   0.002
  156        0.000   0.003   0.000   0.003
  157        0.000   0.002   0.000   0.002
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.003   0.000  -0.003
  160       -0.000  -0.002   0.000  -0.002
--------------------------------------------------
tot         -0.001  -0.018  -0.043  -0.062
 
    CHARGE:  cpu time    1.1996: real time    1.2101
    FORLOC:  cpu time    0.0570: real time    0.0573
    FORNL :  cpu time    7.3070: real time    7.3804
    STRESS:  cpu time   21.8308: real time   22.0478
    FORCOR:  cpu time    0.4813: real time    0.4864
    FORHAR:  cpu time    0.0917: real time    0.0928
    MIXING:  cpu time    0.0508: real time    0.0512
    OFIELD:  cpu time    0.0003: real time    0.0003

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  5548.82366  5548.82366  5548.82366
  Ewald  -19170.48370-19171.40615-19113.26552     1.90770     0.11846    -0.03942
  Hartree  5806.46367  5805.87689  5803.69220     0.04975     0.07544    -0.01896
  E(xc)   -4595.39098 -4595.39314 -4595.44298    -0.00828     0.00023    -0.00038
  Local   -3556.69778 -3555.22042 -3603.68627    -1.82876    -0.19084     0.05076
  n-local -3495.81825 -3495.82746 -3490.49755     0.13807     0.00057    -0.00342
  augment   596.32693   596.33478   594.28448    -0.02950    -0.00059     0.00217
  Kinetic 18865.52201 18865.57199 18861.43537     0.02151    -0.00360     0.01365
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -1.25443    -1.23986     5.34340     0.25049    -0.00033     0.00440
  in kB      -0.85836    -0.84839     3.65630     0.17140    -0.00022     0.00301
  external pressure =        0.65 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      600.00
  volume of cell :     2341.46
      direct lattice vectors                 reciprocal lattice vectors
    11.843201169 -0.001177891 -0.000012923     0.084436631  0.000008397  0.000000094
    -0.001177806 11.843307925 -0.000012483     0.000008398  0.084435870  0.000000088
    -0.000018513 -0.000017488 16.693409471     0.000000065  0.000000063  0.059903880

  length of vectors
    11.843201227 11.843307984 16.693409471     0.084436632  0.084435871  0.059903880


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.616E-02 -.978E-02 -.123E-01   -.366E-02 0.471E-02 0.151E-01   -.802E-03 0.314E-03 0.169E-02   -.166E-02 0.426E-02 -.455E-02
   -.319E-02 0.105E-01 0.247E-01   0.905E-03 -.510E-02 0.182E-02   0.581E-03 -.360E-03 0.253E-03   0.166E-02 -.427E-02 -.247E-01
   0.172E-01 -.110E-01 -.366E-01   -.306E-02 -.194E-03 0.889E-02   -.893E-03 0.221E-03 0.782E-03   -.116E-01 0.933E-02 0.249E-01
   -.164E-01 0.105E-01 0.605E-02   0.237E-02 0.621E-03 -.858E-02   0.906E-03 -.197E-03 -.101E-02   0.116E-01 -.932E-02 0.422E-02
   0.131E-01 0.148E-01 0.183E-01   -.166E-01 0.613E-02 -.951E-02   0.267E-03 0.797E-03 0.166E-01   0.270E-02 -.189E-01 -.115E-01
   -.111E-01 -.131E-01 -.120E-01   0.147E-01 -.775E-02 -.264E-02   -.274E-03 -.852E-03 0.184E-01   -.270E-02 0.189E-01 0.754E-02
   -.674E-01 -.825E-02 0.189E-01   0.263E-01 -.225E-01 -.374E-02   0.204E-02 -.151E-02 -.191E-01   0.343E-01 0.272E-01 -.755E-02
   0.683E-01 0.971E-02 -.124E-01   -.269E-01 0.212E-01 0.397E-02   -.241E-02 0.129E-02 -.170E-01   -.343E-01 -.272E-01 0.115E-01
   -.152E-01 0.118E-01 0.258E-01   0.186E-01 0.878E-02 -.399E-01   -.444E-04 0.113E-02 0.191E-01   -.271E-02 -.189E-01 0.401E-02
   0.118E-01 -.132E-01 0.260E-01   -.152E-01 -.749E-02 -.400E-01   0.129E-03 -.111E-02 0.185E-01   0.271E-02 0.189E-01 0.425E-02
   0.672E-01 -.953E-02 -.185E-01   -.261E-01 -.215E-01 0.328E-01   -.202E-02 -.114E-02 -.187E-01   -.342E-01 0.272E-01 -.427E-02
   -.677E-01 0.834E-02 -.168E-01   0.265E-01 0.225E-01 0.312E-01   0.222E-02 0.139E-02 -.196E-01   0.342E-01 -.272E-01 -.403E-02
   0.222E-02 0.853E-02 -.220E-01   -.675E-04 -.358E-02 0.185E-01   -.313E-03 -.117E-03 0.167E-02   -.166E-02 -.427E-02 0.371E-03
   -.514E-02 -.106E-01 0.145E-01   0.282E-02 0.516E-02 0.217E-01   0.503E-03 0.441E-03 -.278E-03   0.165E-02 0.427E-02 -.319E-01
   0.160E-01 0.110E-01 -.199E-01   -.203E-02 0.124E-03 -.165E-01   -.803E-03 -.172E-03 0.350E-03   -.116E-01 -.932E-02 0.320E-01
   -.168E-01 -.976E-02 0.156E-01   0.257E-02 -.123E-02 -.129E-01   0.966E-03 0.149E-04 -.119E-02   0.116E-01 0.932E-02 -.205E-03
   -.336E-01 -.149E-01 0.507E+00   0.102E-01 0.442E-02 -.502E+00   -.225E-03 0.641E-04 0.331E-02   0.233E-01 0.119E-01 0.584E-02
   0.195E-01 0.915E-02 0.475E+00   0.378E-02 0.161E-02 -.471E+00   0.141E-03 -.104E-03 0.388E-02   -.233E-01 -.118E-01 0.866E-02
   0.238E-01 0.321E-01 -.462E+00   -.526E-03 -.213E-01 0.460E+00   0.191E-03 -.310E-03 -.435E-02   -.232E-01 -.118E-01 -.112E-01
   -.226E-01 -.137E-01 -.457E+00   -.114E-02 0.354E-02 0.454E+00   -.275E-03 0.924E-04 -.355E-02   0.232E-01 0.118E-01 -.866E-02
   -.245E+00 -.573E-01 -.374E-02   0.172E+00 0.161E+00 0.108E+00   -.145E-02 0.118E-03 0.119E-02   0.726E-01 -.106E+00 -.102E+00
   0.251E+00 0.428E-01 -.392E-02   -.181E+00 -.146E+00 0.108E+00   0.110E-02 -.155E-03 0.969E-03   -.726E-01 0.106E+00 -.102E+00
   0.203E+00 -.150E-01 -.518E-01   -.130E+00 -.868E-01 -.519E-01   0.784E-03 -.737E-03 -.955E-03   -.736E-01 0.105E+00 0.104E+00
   -.210E+00 0.174E-01 -.528E-01   0.139E+00 0.831E-01 -.507E-01   -.466E-03 0.487E-03 -.753E-03   0.736E-01 -.105E+00 0.104E+00
   0.231E+00 -.315E-01 0.989E-02   -.158E+00 0.135E+00 0.936E-01   0.162E-02 0.195E-03 0.106E-02   -.727E-01 -.106E+00 -.102E+00
   -.240E+00 0.454E-01 0.208E-02   0.169E+00 -.149E+00 0.102E+00   -.101E-02 -.492E-04 0.102E-02   0.727E-01 0.106E+00 -.102E+00
   -.201E+00 -.215E-01 -.346E-01   0.128E+00 -.791E-01 -.692E-01   -.578E-03 -.465E-03 -.118E-02   0.737E-01 0.104E+00 0.103E+00
   0.200E+00 0.192E-01 -.398E-01   -.128E+00 0.824E-01 -.627E-01   0.603E-03 0.723E-03 -.935E-03   -.737E-01 -.105E+00 0.103E+00
   -.191E-01 0.140E-01 0.399E+00   -.452E-02 -.316E-02 -.402E+00   -.206E-03 -.580E-05 0.379E-02   0.233E-01 -.118E-01 0.130E-01
   0.270E-01 -.497E-02 0.451E+00   -.298E-02 -.613E-02 -.452E+00   0.337E-03 0.394E-04 0.494E-02   -.233E-01 0.118E-01 0.659E-02
   0.295E-01 -.252E-01 -.395E+00   -.633E-02 0.146E-01 0.397E+00   0.243E-03 0.300E-03 -.396E-02   -.233E-01 0.118E-01 -.100E-01
   -.254E-01 0.671E-02 -.378E+00   0.218E-02 0.332E-02 0.376E+00   -.131E-03 -.455E-04 -.286E-02   0.232E-01 -.118E-01 -.601E-02
   0.579E-01 0.194E+00 -.135E+01   -.133E-02 -.423E-02 0.133E+01   -.619E-03 -.158E-02 0.357E-01   -.514E-01 -.187E+00 -.383E-02
   0.392E-01 -.372E+00 -.123E+01   -.341E-02 0.165E+00 0.127E+01   -.713E-03 0.669E-02 0.353E-01   -.324E-01 0.199E+00 -.525E-01
   0.550E+00 -.271E-01 0.242E+01   -.480E+00 -.269E+00 -.272E+01   -.510E-02 -.295E-02 -.557E-01   -.693E-01 0.288E+00 0.315E+00
   0.320E+00 0.397E+00 0.273E+01   -.477E+00 -.146E+00 -.277E+01   -.376E-02 -.433E-02 -.567E-01   0.149E+00 -.243E+00 0.687E-01
   -.477E-01 -.228E+00 0.149E+01   0.119E-01 -.246E-01 -.141E+01   0.877E-03 0.162E-02 -.380E-01   0.323E-01 0.246E+00 -.682E-01
   -.528E-01 0.134E+00 0.165E+01   -.381E-02 0.166E+00 -.127E+01   0.974E-03 -.513E-03 -.377E-01   0.514E-01 -.290E+00 -.353E+00
   -.332E+00 0.260E+00 -.287E+01   0.489E+00 -.581E-01 0.279E+01   0.444E-02 -.129E-02 0.575E-01   -.149E+00 -.198E+00 0.536E-01
   -.571E+00 -.341E+00 -.284E+01   0.501E+00 0.147E+00 0.278E+01   0.489E-02 0.324E-02 0.590E-01   0.697E-01 0.188E+00 0.413E-01
   -.497E-01 -.192E+00 -.150E+01   0.136E-01 0.148E-02 0.142E+01   0.798E-03 0.163E-02 0.378E-01   0.324E-01 0.187E+00 0.638E-01
   -.294E-01 0.360E+00 -.112E+01   -.266E-01 -.154E+00 0.123E+01   0.203E-04 -.663E-02 0.340E-01   0.514E-01 -.199E+00 -.120E+00
   -.312E+00 0.324E-02 0.237E+01   0.469E+00 0.292E+00 -.278E+01   0.374E-02 0.364E-02 -.562E-01   -.150E+00 -.288E+00 0.421E+00
   -.564E+00 -.386E+00 0.281E+01   0.494E+00 0.135E+00 -.274E+01   0.513E-02 0.389E-02 -.569E-01   0.696E-01 0.243E+00 -.366E-01
   0.659E-01 0.243E+00 0.135E+01   -.941E-02 0.987E-02 -.133E+01   -.960E-03 -.209E-02 -.362E-01   -.513E-01 -.246E+00 -.676E-03
   0.466E-01 -.133E+00 0.184E+01   -.105E-01 -.168E+00 -.138E+01   -.988E-03 0.599E-03 -.408E-01   -.324E-01 0.290E+00 -.421E+00
   0.577E+00 -.251E+00 -.301E+01   -.506E+00 0.491E-01 0.282E+01   -.527E-02 0.815E-03 0.592E-01   -.697E-01 0.198E+00 0.159E+00
   0.364E+00 0.332E+00 -.281E+01   -.520E+00 -.139E+00 0.285E+01   -.471E-02 -.285E-02 0.597E-01   0.149E+00 -.188E+00 -.639E-01
   0.471E+00 -.142E+00 0.171E+01   -.112E+00 0.579E-01 -.137E+01   -.168E-03 0.213E-02 -.385E-01   -.346E+00 0.773E-01 -.300E+00
   -.562E+00 0.183E-01 0.151E+01   0.251E+00 -.272E-01 -.137E+01   0.146E-02 -.708E-04 -.393E-01   0.302E+00 0.644E-02 -.121E+00
   -.208E+00 -.540E+00 -.306E+01   0.221E+00 0.493E+00 0.285E+01   0.201E-02 0.468E-02 0.599E-01   -.127E-01 0.468E-01 0.170E+00
   0.130E+00 -.394E+00 -.265E+01   -.134E+00 0.526E+00 0.271E+01   -.460E-03 0.525E-02 0.565E-01   0.287E-02 -.126E+00 -.744E-01
   -.227E+00 -.317E-01 -.153E+01   0.229E+00 0.406E-01 0.145E+01   0.136E-02 -.585E-04 0.375E-01   -.191E-02 -.651E-02 0.561E-01
   0.951E-01 0.122E+00 -.112E+01   -.112E+00 -.381E-01 0.122E+01   0.142E-02 -.152E-02 0.328E-01   0.139E-01 -.773E-01 -.113E+00
   0.681E+00 0.358E+00 0.257E+01   -.368E+00 -.491E+00 -.268E+01   -.449E-02 -.460E-02 -.554E-01   -.301E+00 0.126E+00 0.139E+00
   -.326E+00 0.534E+00 0.257E+01   -.306E-01 -.487E+00 -.280E+01   -.234E-02 -.478E-02 -.565E-01   0.346E+00 -.463E-01 0.245E+00
   -.458E+00 -.154E-01 0.180E+01   0.986E-01 0.241E-01 -.142E+01   -.135E-03 -.285E-03 -.402E-01   0.346E+00 -.642E-02 -.348E+00
   0.550E+00 0.110E+00 0.146E+01   -.239E+00 -.267E-01 -.137E+01   -.118E-02 -.121E-02 -.390E-01   -.302E+00 -.773E-01 -.738E-01
   0.202E+00 0.385E+00 -.295E+01   -.215E+00 -.518E+00 0.287E+01   -.198E-02 -.496E-02 0.597E-01   0.127E-01 0.126E+00 0.482E-01
   -.124E+00 0.535E+00 -.277E+01   0.128E+00 -.488E+00 0.270E+01   0.990E-04 -.478E-02 0.567E-01   -.290E-02 -.465E-01 0.470E-01
   0.226E+00 -.129E+00 -.147E+01   -.227E+00 0.446E-01 0.143E+01   -.152E-02 0.187E-02 0.378E-01   0.196E-02 0.773E-01 0.882E-02
   -.845E-01 0.388E-01 -.117E+01   0.102E+00 -.471E-01 0.122E+01   -.188E-02 -.258E-03 0.344E-01   -.140E-01 0.644E-02 -.654E-01
   -.697E+00 -.503E+00 0.268E+01   0.385E+00 0.457E+00 -.267E+01   0.486E-02 0.422E-02 -.559E-01   0.301E+00 0.466E-01 0.178E-01
   0.323E+00 -.370E+00 0.246E+01   0.332E-01 0.503E+00 -.282E+01   0.237E-02 0.460E-02 -.563E-01   -.346E+00 -.127E+00 0.366E+00
   -.129E+03 -.129E+03 0.754E+00   0.142E+03 0.142E+03 -.737E+00   -.133E+02 -.133E+02 0.112E-01   -.233E-01 -.113E+00 -.372E-01
   -.129E+03 -.129E+03 0.656E+00   0.142E+03 0.142E+03 -.709E+00   -.132E+02 -.133E+02 0.892E-02   0.127E-01 0.102E+00 0.348E-01
   -.130E+03 -.129E+03 -.641E+00   0.142E+03 0.142E+03 0.695E+00   -.132E+02 -.132E+02 -.859E-02   0.468E+00 0.448E+00 -.361E-01
   -.129E+03 -.129E+03 -.716E+00   0.142E+03 0.142E+03 0.699E+00   -.132E+02 -.133E+02 -.106E-01   -.290E+00 -.270E+00 0.367E-01
   0.129E+03 0.129E+03 0.730E+00   -.142E+03 -.142E+03 -.712E+00   0.132E+02 0.133E+02 0.928E-02   -.425E-01 -.120E+00 -.369E-01
   0.129E+03 0.129E+03 0.683E+00   -.142E+03 -.142E+03 -.737E+00   0.133E+02 0.132E+02 0.972E-02   0.531E-01 0.130E+00 0.344E-01
   0.129E+03 0.129E+03 -.644E+00   -.142E+03 -.142E+03 0.697E+00   0.133E+02 0.132E+02 -.936E-02   0.320E+00 0.287E+00 -.349E-01
   0.130E+03 0.129E+03 -.724E+00   -.142E+03 -.142E+03 0.708E+00   0.132E+02 0.132E+02 -.101E-01   -.498E+00 -.466E+00 0.355E-01
   0.129E+03 -.129E+03 0.879E+00   -.142E+03 0.142E+03 -.925E+00   0.133E+02 -.132E+02 0.227E-01   0.512E-01 -.115E+00 0.149E-01
   0.129E+03 -.129E+03 0.845E+00   -.142E+03 0.142E+03 -.892E+00   0.132E+02 -.132E+02 0.219E-01   -.415E-01 0.106E+00 0.162E-01
   0.130E+03 -.129E+03 -.819E+00   -.142E+03 0.142E+03 0.866E+00   0.132E+02 -.132E+02 -.215E-01   -.497E+00 0.452E+00 -.175E-01
   0.129E+03 -.129E+03 -.822E+00   -.142E+03 0.142E+03 0.868E+00   0.132E+02 -.132E+02 -.226E-01   0.318E+00 -.273E+00 -.155E-01
   -.129E+03 0.129E+03 0.848E+00   0.142E+03 -.142E+03 -.894E+00   -.132E+02 0.132E+02 0.221E-01   0.145E-01 -.117E+00 0.152E-01
   -.129E+03 0.129E+03 0.865E+00   0.142E+03 -.142E+03 -.911E+00   -.133E+02 0.132E+02 0.223E-01   -.242E-01 0.127E+00 0.158E-01
   -.129E+03 0.129E+03 -.822E+00   0.142E+03 -.142E+03 0.868E+00   -.132E+02 0.132E+02 -.220E-01   -.291E+00 0.284E+00 -.164E-01
   -.130E+03 0.129E+03 -.831E+00   0.142E+03 -.142E+03 0.878E+00   -.132E+02 0.132E+02 -.214E-01   0.470E+00 -.463E+00 -.166E-01
   -.729E-02 0.199E-01 -.184E+03   0.857E-02 -.546E-02 0.203E+03   0.379E-03 -.933E-03 -.189E+02   -.156E-02 -.137E-01 -.899E-01
   -.620E-02 -.257E-01 -.184E+03   0.442E-02 0.116E-01 0.203E+03   0.457E-03 0.573E-03 -.189E+02   0.155E-02 0.137E-01 0.166E-01
   0.486E-01 0.442E-01 -.184E+03   -.116E-02 -.748E-02 0.202E+03   0.931E-03 0.620E-03 -.189E+02   -.483E-01 -.374E-01 0.680E+00
   -.456E-01 -.388E-01 -.183E+03   -.244E-02 0.358E-02 0.202E+03   -.279E-03 -.257E-02 -.189E+02   0.483E-01 0.373E-01 -.295E+00
   0.322E-02 0.168E-01 0.184E+03   -.204E-02 -.246E-02 -.203E+03   0.331E-03 -.779E-03 0.189E+02   -.158E-02 -.137E-01 0.281E+00
   -.789E-02 -.235E-01 0.185E+03   0.700E-02 0.937E-02 -.203E+03   -.703E-03 0.599E-03 0.189E+02   0.155E-02 0.137E-01 -.694E+00
   0.432E-01 0.309E-01 0.183E+03   0.501E-02 0.593E-02 -.202E+03   0.136E-03 0.578E-03 0.189E+02   -.483E-01 -.374E-01 -.290E-02
   -.484E-01 -.339E-01 0.183E+03   0.619E-03 -.212E-02 -.202E+03   -.508E-03 -.177E-02 0.189E+02   0.483E-01 0.374E-01 0.103E+00
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 -----------------------------------------------------------------------------------------------
   0.119E-02 -.398E-02 -.132E-01   -.122E-11 -.513E-12 0.512E-12   -.208E-02 0.181E-02 0.300E-02   0.297E-03 0.972E-04 0.421E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00053      5.92161      4.17316         0.000043     -0.000476      0.000047
      5.92034     11.84271      4.17340        -0.000042      0.000742      0.002131
      5.92048     11.84265     12.52012         0.001673     -0.001653     -0.002077
     11.84249      5.92053     12.52017        -0.001514      0.001588      0.000706
      2.96043      2.96035     16.69133        -0.000553      0.002846      0.013855
      8.88151      8.88172     16.69111         0.000601     -0.002779      0.011306
      8.88126      8.88172      8.34900        -0.004816     -0.005100     -0.011447
      2.96074      2.96042      8.34876         0.004746      0.005055     -0.013874
      8.88216      2.95976     16.69072         0.000662      0.002833      0.009083
      2.95988      8.88235     16.69078        -0.000588     -0.002910      0.008732
      2.96015      8.88226      8.34926         0.004787     -0.005033     -0.008673
      8.88187      2.95983      8.34933        -0.004763      0.005132     -0.009145
      0.00004      0.00002      4.17337         0.000182      0.000579     -0.001453
      5.92098      5.92105      4.17365        -0.000154     -0.000692      0.004053
      5.92109      5.92110     12.51978         0.001615      0.001688     -0.004045
     11.84192     11.84208     12.52001        -0.001658     -0.001645      0.001287
     -0.00117     11.84327      0.00191        -0.000389      0.001485      0.014396
      5.92098      5.92109      0.00185         0.000173     -0.001161      0.016432
      5.92098      5.92105      8.34490         0.000269     -0.001338     -0.017952
     -0.00117     11.84326      8.34484        -0.000756      0.001726     -0.014983
      8.88171      2.95951      4.17309        -0.001570     -0.002071      0.002817
      2.96034      8.88257      4.17308        -0.001151      0.002204      0.003113
      2.96020      8.88243     12.52018        -0.000168      0.001958     -0.001030
      8.88174      2.95969     12.52019         0.001881     -0.003564     -0.000681
      2.96087      2.96016      4.17311         0.001670     -0.001637      0.002318
      8.88112      8.88199      4.17311         0.001332      0.002004      0.002827
      8.88121      8.88183     12.52018         0.000381      0.003373     -0.001692
      2.96082      2.96027     12.52015        -0.001615     -0.002172     -0.000060
     -0.00056      5.92168      0.00184        -0.000501     -0.000994      0.013145
      5.92040     11.84270      0.00239         0.001085      0.000779      0.010181
      5.92040     11.84270      8.34463         0.000194      0.001582     -0.012253
     -0.00058      5.92171      8.34478        -0.000127     -0.001825     -0.010819
     11.84271      2.96019      2.08250         0.004591      0.001572      0.015585
      5.92059      8.88090      2.08228         0.002666     -0.000884      0.017643
      5.92183      8.88234     10.43993        -0.004278     -0.010279     -0.039168
      0.00078      2.96142     10.44036        -0.011343      0.004102     -0.030203
     -0.00073      8.88217      6.26434        -0.002622     -0.004795     -0.020615
      5.92151      2.96013      6.26459        -0.004151      0.010018     -0.007695
      5.92015      2.96056     14.59992         0.011917      0.002980      0.032406
     11.84113      8.88067     14.59948         0.003949     -0.002103      0.030617
     -0.00075      8.88195      2.08229        -0.002851     -0.001589      0.015853
      5.92159      2.96121      2.08237        -0.004668      0.000756      0.019108
      5.92022      2.95969     10.44015         0.011314      0.010618     -0.044919
     11.84113      8.88078     10.44033         0.004007     -0.004412     -0.024941
     11.84272      2.95998      6.26415         0.004302      0.004623     -0.020339
      5.92056      8.88196      6.26490         0.002662     -0.009983     -0.007403
      5.92190      8.88155     14.59975        -0.004268     -0.003210      0.027806
      0.00093      2.96137     14.59928        -0.011645      0.002378      0.035754
      2.96013      5.92139      6.26422         0.013462     -0.004554     -0.006671
      8.88210     -0.00063      6.26474        -0.007795     -0.002461     -0.020926
      8.88081     11.84125     14.59954         0.002382      0.004710      0.025519
      2.96038      5.92010     14.59971        -0.001937      0.011223      0.037904
      8.88170      5.92044      2.08233         0.001210      0.002296      0.012721
      2.95954     11.84295      2.08254        -0.001900      0.004738      0.018836
      2.96142      0.00085     10.43990         0.007477     -0.010976     -0.030576
      8.88210      5.92191     10.44062        -0.013359     -0.004561     -0.039467
      8.88194      5.92051      6.26438        -0.013630      0.002040     -0.006729
      2.95987     11.84289      6.26468         0.008033      0.005052     -0.021733
      2.96117      0.00093     14.59952        -0.002433     -0.011179      0.031097
      8.88166      5.92190     14.59977         0.001687     -0.004806      0.032580
      2.96032      5.92143      2.08237        -0.001226     -0.004696      0.014310
      8.88250     -0.00062      2.08249         0.001670     -0.002107      0.019100
      8.88051     11.84137     10.43985        -0.007161      0.004482     -0.025007
      2.95987      5.92014     10.44066         0.013361      0.010979     -0.044885
      1.34991      1.34975      0.00314        -0.010865     -0.009425     -0.009059
      7.27085      7.27101      0.00313        -0.004790     -0.006209     -0.009364
      7.27086      7.27103      8.34357         0.007928      0.007118      0.009650
      1.34998      1.34983      8.34360        -0.016870     -0.015673      0.008994
      4.57111      4.57111      0.00311         0.005539      0.006800     -0.009442
     10.49212     10.49233      0.00314         0.010827      0.009031     -0.009295
     10.49202     10.49225      8.34360         0.017043      0.015549      0.009090
      4.57106      4.57111      8.34358        -0.007080     -0.006581      0.009530
     10.49313      1.34869      0.00311         0.012759     -0.011088     -0.008170
      4.57097      7.27116      0.00305         0.006900     -0.007990     -0.008326
      4.57097      7.27115      8.34363        -0.006051      0.005624      0.008444
     10.49306      1.34880      8.34370         0.018744     -0.017569      0.007791
      7.27104      4.57098      0.00304        -0.007367      0.008635     -0.008210
      1.34883     10.49332      0.00311        -0.012568      0.010880     -0.008251
      1.34891     10.49324      8.34367        -0.018168      0.017095      0.008015
      7.27107      4.57097      8.34365         0.005543     -0.004932      0.008561
      0.00001      0.00006      1.90523         0.000098     -0.000193      0.027189
      5.92095      5.92104      1.90543         0.000234      0.000094      0.030812
      5.92098      5.92107     10.24680         0.000136      0.000007      0.093226
      0.00003      0.00004     10.24662        -0.000019     -0.000419      0.062663
      0.00001      0.00002      6.44174        -0.000060     -0.000174     -0.023637
      5.92100      5.92100      6.44156        -0.000041      0.000211     -0.052953
      5.92099      5.92106     14.79306         0.000000      0.000006     -0.070677
      0.00001      0.00001     14.79334        -0.000001     -0.000355     -0.066720
     10.23090      4.30854      4.17312        -0.000286      0.000812      0.000102
      4.30935     10.23156      4.17315        -0.003132     -0.003323      0.000787
      4.31169     10.23405     12.52014        -0.030088     -0.031417     -0.000517
     10.23356      4.31122     12.52017        -0.030259     -0.028003     -0.000246
      1.61110      7.53353      4.17310         0.002000      0.000598      0.000350
      7.53268      1.61048      4.17318         0.002397      0.002962      0.000776
      7.53025      1.60797     12.52014         0.031079      0.032315     -0.000426
      1.60847      7.53094     12.52016         0.028968      0.027648     -0.000032
      7.53218      4.30892      4.17302         0.008012     -0.005188      0.000657
      1.61082     10.23203      4.17302         0.008365     -0.009762      0.000801
      1.60818     10.23432     12.52024         0.034727     -0.036257     -0.000579
      7.52984      4.31168     12.52026         0.035640     -0.033520     -0.000636
     10.23112      1.61003      4.17301        -0.006052      0.008340      0.000747
      4.30981      7.53318      4.17304        -0.008620      0.005788      0.000766
      4.31208      7.53043     12.52025        -0.035182      0.033679     -0.000569
     10.23388      1.60774     12.52026        -0.036435      0.037458     -0.000668
      8.88165      2.95945      6.07421         0.000855      0.001733      0.091712
      2.96031      8.88270      6.07418        -0.000548     -0.001825      0.090381
      2.96036      8.88264     14.42188        -0.001245     -0.001883      0.058881
      8.88160      2.95948     14.42197         0.001136      0.001924      0.057519
      8.88168      2.95939      2.27204         0.001156      0.002280     -0.090930
      2.96034      8.88271      2.27209        -0.000958     -0.002124     -0.090254
      2.96039      8.88255     10.61847        -0.000757     -0.001500     -0.059895
      8.88161      2.95955     10.61839         0.000970      0.001725     -0.058593
      4.31010      4.30940      4.17307        -0.003167     -0.000212      0.000567
     10.23041     10.23117      4.17304        -0.004643     -0.006432      0.000906
     10.23279     10.23326     12.52024        -0.024439     -0.026143     -0.000696
      4.31221      4.31178     12.52026        -0.032696     -0.030806     -0.000801
      1.61158      1.61103      4.17308         0.001345      0.002748      0.000836
      7.53199      7.53275      4.17303         0.004749      0.002597      0.000793
      7.52979      7.53033     12.52025         0.024592      0.022680     -0.000712
      1.60920      1.60888     12.52025         0.032769      0.034043     -0.000678
      1.61144      4.30944      4.17319         0.000025      0.001185      0.000290
      7.53193     10.23125      4.17312         0.004391     -0.005311      0.000736
      7.52933     10.23394     12.52018         0.032275     -0.033883     -0.000625
      1.60863      4.31222     12.52020         0.039751     -0.037950     -0.000288
     10.23058      7.53272      4.17321        -0.003154      0.001872      0.000304
      4.31019      1.61093      4.17308        -0.002687      0.002364      0.000914
      4.31266      1.60819     12.52017        -0.040057      0.041370     -0.000545
     10.23336      7.52991     12.52018        -0.031024      0.029302     -0.000148
      2.96098      2.96001      6.07436        -0.000937      0.001695      0.089692
      8.88104      8.88213      6.07435         0.000736     -0.001797      0.085886
      8.88103      8.88202     14.42232         0.001275     -0.001945      0.062043
      2.96093      2.96010     14.42234        -0.001127      0.001762      0.049752
      2.96089      2.96003      2.27192        -0.001280      0.002202     -0.088706
      8.88115      8.88208      2.27195         0.000819     -0.002044     -0.085522
      8.88105      8.88196     10.61802         0.000951     -0.001609     -0.062402
      2.96096      2.96015     10.61804        -0.000910      0.001629     -0.051487
      1.34921      7.27160      0.00282        -0.003864     -0.005021     -0.007450
      7.27148      1.34911      0.00319        -0.014484     -0.013082     -0.007936
      7.27154      1.34918      8.34377        -0.005681     -0.004289      0.007651
      1.34920      7.27152      8.34384        -0.005648     -0.006376      0.007446
     10.49281      4.57061      0.00279         0.003990      0.005217     -0.007430
      4.57060     10.49299      0.00320         0.013535      0.012390     -0.007844
      4.57054     10.49288      8.34376         0.004817      0.003487      0.007578
     10.49280      4.57066      8.34384         0.005794      0.006874      0.007314
     10.49227      7.27095      0.00306         0.011072     -0.012276     -0.009252
      4.57126      1.34964      0.00342         0.020353     -0.018889     -0.009582
      4.57113      1.34976      8.34353         0.012767     -0.011378      0.009303
     10.49228      7.27089      8.34360         0.012560     -0.013465      0.008984
      1.34980      4.57125      0.00307        -0.011088      0.012234     -0.009073
      7.27077     10.49250      0.00338        -0.020417      0.018693     -0.009225
      7.27084     10.49236      8.34347        -0.012273      0.010727      0.009425
      1.34975      4.57130      8.34360        -0.012786      0.013693      0.009013
     -0.00057      5.92162      1.90523         0.000089      0.000052      0.036462
      5.92158     -0.00054      1.90542        -0.000030     -0.000126      0.024127
      5.92157     -0.00059     10.24690         0.000138     -0.000097      0.072650
     -0.00059      5.92162     10.24709        -0.000022      0.000400      0.068329
     -0.00058      5.92158      6.44143         0.000013      0.000234     -0.034061
      5.92153     -0.00053      6.44138        -0.000045     -0.000101     -0.035493
      5.92038     11.84268     14.79361        -0.000200      0.000050     -0.060473
     -0.00057      5.92160     14.79303        -0.000111      0.000339     -0.072369
 -----------------------------------------------------------------------------------
    total drift:                               -0.000591     -0.002072     -0.005947


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -1066.23591821 eV

  energy  without entropy=    -1066.08057242  energy(sigma->0) =    -1066.18413628
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.9143: real time    0.9224


--------------------------------------------------------------------------------------------------------


 stress matrix after NEB project (eV)
     -1.25443      0.25048      0.00440
      0.25049     -1.23986     -0.00030
      0.00448     -0.00033      5.34340
  FORCES: max atom, RMS     0.093226    0.036637
  FORCE total and by dimension    0.463430    0.093226
  Stress total and by dimension    5.638112    5.343402
 writing wavefunctions
     LOOP+:  cpu time 2114.4889: real time 2135.9522
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 orbital moment (x)
 
 # of ion     p       d       tot
 ----------------------------------------
  1         0.000   0.000   0.000
  2         0.000   0.000   0.000
  3        -0.000   0.000  -0.000
  4        -0.000   0.000  -0.000
  5         0.000   0.000   0.000
  6         0.000   0.000   0.000
  7        -0.000   0.000  -0.000
  8        -0.000   0.000  -0.000
  9         0.000   0.000   0.000
 10         0.000   0.000   0.000
 11        -0.000   0.000  -0.000
 12        -0.000   0.000  -0.000
 13         0.000   0.000   0.000
 14         0.000   0.000   0.000
 15        -0.000   0.000  -0.000
 16        -0.000   0.000  -0.000
 17        -0.000  -0.006  -0.006
 18         0.000   0.010   0.010
 19        -0.000  -0.002  -0.002
 20        -0.000  -0.002  -0.002
 21         0.000   0.011   0.011
 22         0.000   0.015   0.015
 23        -0.000  -0.026  -0.026
 24        -0.000  -0.010  -0.010
 25         0.000   0.011   0.011
 26         0.000   0.015   0.015
 27        -0.000  -0.024  -0.024
 28        -0.000  -0.013  -0.013
 29        -0.000  -0.004  -0.004
 30         0.000   0.010   0.010
 31        -0.000  -0.002  -0.002
 32        -0.000  -0.002  -0.002
 33        -0.000  -0.000  -0.000
 34        -0.000  -0.000  -0.000
 35         0.000   0.000   0.001
 36         0.000   0.000   0.000
 37        -0.000  -0.000  -0.000
 38        -0.000  -0.000  -0.000
 39         0.000   0.000   0.000
 40         0.000   0.000   0.001
 41        -0.000  -0.000  -0.000
 42        -0.000  -0.000  -0.000
 43         0.000   0.000   0.000
 44         0.000   0.000   0.001
 45        -0.000  -0.000  -0.000
 46        -0.000  -0.000  -0.000
 47         0.000   0.000   0.000
 48         0.000   0.000   0.000
 49        -0.000  -0.000  -0.000
 50        -0.000  -0.000  -0.000
 51         0.000   0.000   0.000
 52         0.000   0.000   0.000
 53        -0.000  -0.000  -0.000
 54        -0.000  -0.000  -0.000
 55         0.000   0.000   0.000
 56         0.000   0.000   0.000
 57        -0.000  -0.000  -0.000
 58        -0.000  -0.000  -0.000
 59         0.000   0.000   0.000
 60         0.000   0.000   0.000
 61        -0.000  -0.000  -0.000
 62        -0.000  -0.000  -0.000
 63         0.000   0.000   0.000
 64         0.000   0.000   0.000
 65         0.000   0.000   0.000
 66         0.001   0.000   0.001
 67        -0.000   0.000  -0.000
 68        -0.000   0.000  -0.000
 69         0.001   0.000   0.001
 70         0.000   0.000   0.000
 71        -0.000   0.000  -0.000
 72        -0.000   0.000  -0.000
 73        -0.001   0.000  -0.001
 74         0.001   0.000   0.001
 75        -0.000   0.000  -0.000
 76         0.000   0.000   0.000
 77         0.001   0.000   0.001
 78        -0.001   0.000  -0.001
 79         0.000   0.000   0.000
 80        -0.000   0.000  -0.000
 81         0.000   0.000   0.000
 82        -0.000   0.000  -0.000
 83        -0.000   0.000  -0.000
 84        -0.000   0.000  -0.000
 85         0.000   0.000   0.000
 86         0.000   0.000   0.000
 87        -0.000   0.000  -0.000
 88         0.000   0.000   0.000
 89         0.001   0.000   0.001
 90         0.001   0.000   0.001
 91        -0.002   0.000  -0.002
 92        -0.001   0.000  -0.001
 93         0.001   0.000   0.001
 94         0.001   0.000   0.001
 95        -0.001   0.000  -0.001
 96        -0.002   0.000  -0.002
 97         0.001   0.000   0.001
 98         0.001   0.000   0.001
 99        -0.001   0.000  -0.001
100        -0.000   0.000  -0.000
101         0.001   0.000   0.001
102         0.001   0.000   0.001
103        -0.002   0.000  -0.002
104        -0.000   0.000  -0.000
105        -0.000   0.000  -0.000
106        -0.000   0.000  -0.000
107         0.000   0.000   0.000
108         0.000   0.000   0.000
109        -0.000   0.000  -0.000
110        -0.000   0.000  -0.000
111         0.000   0.000   0.000
112         0.000   0.000   0.000
113         0.001   0.000   0.001
114         0.001   0.000   0.001
115        -0.002   0.000  -0.002
116        -0.001   0.000  -0.001
117         0.001   0.000   0.001
118         0.001   0.000   0.001
119        -0.002   0.000  -0.002
120        -0.001   0.000  -0.001
121         0.001   0.000   0.001
122         0.001   0.000   0.001
123        -0.001   0.000  -0.001
124        -0.001   0.000  -0.001
125         0.001   0.000   0.001
126         0.001   0.000   0.001
127        -0.001   0.000  -0.001
128        -0.001   0.000  -0.001
129        -0.000   0.000  -0.000
130        -0.000   0.000  -0.000
131         0.000   0.000   0.000
132         0.000   0.000   0.000
133        -0.000   0.000  -0.000
134        -0.000   0.000  -0.000
135         0.000   0.000   0.000
136         0.000   0.000   0.000
137         0.000   0.000   0.000
138         0.001   0.000   0.001
139        -0.000   0.000  -0.000
140        -0.000   0.000  -0.000
141         0.000   0.000   0.000
142         0.001   0.000   0.001
143        -0.000   0.000  -0.000
144        -0.000   0.000  -0.000
145        -0.001   0.000  -0.001
146         0.001   0.000   0.001
147         0.000   0.000   0.000
148         0.000   0.000   0.000
149        -0.001   0.000  -0.001
150         0.001   0.000   0.001
151         0.000   0.000   0.000
152         0.000   0.000   0.000
153         0.000   0.000   0.000
154        -0.000   0.000  -0.000
155        -0.000   0.000  -0.000
156        -0.000   0.000  -0.000
157         0.000   0.000   0.000
158         0.000   0.000   0.000
159        -0.000   0.000  -0.000
160        -0.000   0.000  -0.000
 ----------------------------------------
           -0.004  -0.016  -0.020
 


 orbital moment (y)
 
 # of ion     p       d       tot
 ----------------------------------------
  1         0.000   0.000   0.000
  2         0.000   0.000   0.000
  3        -0.000   0.000  -0.000
  4        -0.000   0.000  -0.000
  5         0.000   0.000   0.000
  6         0.000   0.000   0.000
  7        -0.000   0.000  -0.000
  8        -0.000   0.000  -0.000
  9         0.000   0.000   0.000
 10         0.000   0.000   0.000
 11        -0.000   0.000  -0.000
 12        -0.000   0.000  -0.000
 13         0.000   0.000   0.000
 14         0.000   0.000   0.000
 15        -0.000   0.000  -0.000
 16        -0.000   0.000  -0.000
 17         0.000   0.007   0.007
 18         0.000   0.000   0.000
 19        -0.000  -0.001  -0.001
 20        -0.000  -0.003  -0.003
 21         0.000   0.001   0.001
 22         0.000   0.005   0.005
 23        -0.000  -0.004  -0.004
 24        -0.000  -0.004  -0.004
 25         0.000   0.001   0.001
 26         0.000   0.004   0.004
 27        -0.000  -0.004  -0.004
 28        -0.000  -0.003  -0.003
 29         0.000   0.004   0.004
 30        -0.000   0.001   0.001
 31        -0.000  -0.002  -0.002
 32        -0.000  -0.002  -0.002
 33        -0.000  -0.000  -0.000
 34        -0.000  -0.000  -0.000
 35         0.000   0.000   0.000
 36         0.000   0.000   0.000
 37        -0.000  -0.000  -0.000
 38        -0.000   0.000   0.000
 39         0.000   0.000   0.000
 40        -0.000  -0.000  -0.000
 41        -0.000  -0.000  -0.000
 42        -0.000  -0.000  -0.000
 43         0.000   0.000   0.000
 44         0.000   0.000   0.000
 45         0.000   0.000   0.000
 46        -0.000  -0.000  -0.000
 47         0.000   0.000   0.000
 48        -0.000  -0.000  -0.000
 49        -0.000  -0.000  -0.000
 50         0.000  -0.000   0.000
 51        -0.000   0.000   0.000
 52         0.000   0.000   0.000
 53        -0.000  -0.000  -0.000
 54        -0.000  -0.000  -0.000
 55         0.000   0.000   0.000
 56         0.000   0.000   0.000
 57        -0.000  -0.000  -0.000
 58         0.000  -0.000   0.000
 59        -0.000  -0.000  -0.000
 60         0.000   0.000   0.000
 61        -0.000  -0.000  -0.000
 62        -0.000  -0.000  -0.000
 63         0.000   0.000   0.000
 64         0.000   0.000   0.000
 65         0.000   0.000   0.000
 66         0.001   0.000   0.001
 67        -0.000   0.000  -0.000
 68        -0.000   0.000  -0.000
 69         0.001   0.000   0.001
 70        -0.000   0.000  -0.000
 71        -0.000   0.000  -0.000
 72        -0.000   0.000  -0.000
 73         0.001   0.000   0.001
 74        -0.001   0.000  -0.001
 75         0.000   0.000   0.000
 76        -0.000   0.000  -0.000
 77        -0.001   0.000  -0.001
 78         0.001   0.000   0.001
 79        -0.000   0.000  -0.000
 80         0.000   0.000   0.000
 81        -0.000   0.000  -0.000
 82         0.000   0.000   0.000
 83        -0.000   0.000  -0.000
 84         0.000   0.000   0.000
 85         0.000   0.000   0.000
 86         0.000   0.000   0.000
 87        -0.000   0.000  -0.000
 88        -0.000   0.000  -0.000
 89         0.001   0.000   0.001
 90         0.002   0.000   0.002
 91        -0.003   0.000  -0.003
 92        -0.001   0.000  -0.001
 93         0.002   0.000   0.002
 94         0.001   0.000   0.001
 95        -0.001   0.000  -0.001
 96        -0.002   0.000  -0.002
 97        -0.001   0.000  -0.001
 98        -0.001   0.000  -0.001
 99         0.002   0.000   0.002
100         0.001   0.000   0.001
101        -0.001   0.000  -0.001
102        -0.001   0.000  -0.001
103         0.002   0.000   0.002
104         0.001   0.000   0.001
105        -0.000   0.000  -0.000
106        -0.000   0.000  -0.000
107         0.000   0.000   0.000
108         0.000   0.000   0.000
109        -0.000   0.000  -0.000
110        -0.000   0.000  -0.000
111         0.000   0.000   0.000
112         0.000   0.000   0.000
113         0.001   0.000   0.001
114         0.002   0.000   0.002
115        -0.002   0.000  -0.002
116        -0.001   0.000  -0.001
117         0.001   0.000   0.001
118         0.002   0.000   0.002
119        -0.002   0.000  -0.002
120        -0.001   0.000  -0.001
121        -0.001   0.000  -0.001
122        -0.001   0.000  -0.001
123         0.002   0.000   0.002
124         0.001   0.000   0.001
125        -0.001   0.000  -0.001
126        -0.001   0.000  -0.001
127         0.001   0.000   0.001
128         0.002   0.000   0.002
129        -0.000   0.000  -0.000
130        -0.000   0.000  -0.000
131         0.000   0.000   0.000
132         0.000   0.000   0.000
133        -0.000   0.000  -0.000
134        -0.000   0.000  -0.000
135         0.000   0.000   0.000
136         0.000   0.000   0.000
137        -0.000   0.000  -0.000
138         0.001   0.000   0.001
139        -0.000   0.000  -0.000
140        -0.000   0.000  -0.000
141        -0.000   0.000  -0.000
142         0.001   0.000   0.001
143        -0.000   0.000  -0.000
144        -0.000   0.000  -0.000
145         0.001   0.000   0.001
146        -0.001   0.000  -0.001
147        -0.000   0.000  -0.000
148         0.000   0.000   0.000
149         0.001   0.000   0.001
150        -0.001   0.000  -0.001
151         0.000   0.000   0.000
152         0.000   0.000   0.000
153        -0.000   0.000  -0.000
154        -0.000   0.000  -0.000
155         0.000   0.000   0.000
156         0.000   0.000   0.000
157         0.000   0.000   0.000
158         0.000   0.000   0.000
159        -0.000   0.000  -0.000
160        -0.000   0.000  -0.000
 ----------------------------------------
           -0.000  -0.000  -0.000
 


 orbital moment (z)
 
 # of ion     p       d       tot
 ----------------------------------------
  1        -0.000   0.000  -0.000
  2        -0.000   0.000  -0.000
  3         0.000   0.000   0.000
  4         0.000   0.000   0.000
  5         0.000   0.000   0.000
  6         0.000   0.000   0.000
  7        -0.000   0.000  -0.000
  8        -0.000   0.000  -0.000
  9         0.000   0.000   0.000
 10         0.000   0.000   0.000
 11        -0.000   0.000  -0.000
 12        -0.000   0.000  -0.000
 13        -0.000   0.000  -0.000
 14        -0.000   0.000  -0.000
 15         0.000   0.000   0.000
 16         0.000   0.000   0.000
 17         0.000   0.021   0.021
 18         0.000   0.017   0.017
 19        -0.000  -0.017  -0.017
 20        -0.000  -0.024  -0.024
 21        -0.000  -0.015  -0.015
 22         0.000   0.003   0.003
 23         0.000   0.006   0.006
 24         0.000   0.015   0.015
 25        -0.000  -0.015  -0.015
 26         0.000   0.002   0.002
 27         0.000   0.008   0.008
 28         0.000   0.011   0.011
 29         0.000   0.013   0.013
 30         0.000   0.022   0.022
 31        -0.000  -0.012  -0.012
 32        -0.000  -0.015  -0.015
 33        -0.000  -0.000  -0.000
 34        -0.000  -0.000  -0.000
 35         0.000   0.000   0.000
 36         0.000   0.000   0.000
 37         0.000   0.000   0.000
 38         0.000   0.000   0.001
 39        -0.000  -0.000  -0.001
 40        -0.000  -0.000  -0.000
 41        -0.000  -0.000  -0.000
 42        -0.000  -0.000  -0.000
 43         0.000   0.000   0.000
 44         0.000   0.000   0.000
 45         0.000   0.001   0.001
 46         0.000   0.000   0.000
 47        -0.000  -0.000  -0.000
 48        -0.000  -0.000  -0.001
 49         0.000   0.000   0.000
 50         0.000   0.000   0.000
 51        -0.000  -0.000  -0.001
 52        -0.000  -0.000  -0.000
 53        -0.000  -0.000  -0.000
 54        -0.000  -0.000  -0.000
 55         0.000   0.000   0.000
 56         0.000   0.000   0.000
 57         0.000   0.000   0.000
 58         0.000   0.000   0.000
 59        -0.000  -0.000  -0.001
 60        -0.000  -0.000  -0.000
 61        -0.000  -0.000  -0.000
 62        -0.000  -0.000  -0.000
 63         0.000   0.000   0.000
 64         0.000   0.000   0.000
 65        -0.000   0.000  -0.000
 66        -0.000   0.000  -0.000
 67         0.000   0.000   0.000
 68         0.001   0.000   0.001
 69        -0.000   0.000  -0.000
 70        -0.001   0.000  -0.001
 71         0.001   0.000   0.001
 72         0.000   0.000   0.000
 73        -0.001   0.000  -0.001
 74        -0.000   0.000  -0.000
 75         0.000   0.000   0.000
 76         0.001   0.000   0.001
 77        -0.000   0.000  -0.000
 78        -0.000   0.000  -0.000
 79         0.001   0.000   0.001
 80         0.000   0.000   0.000
 81         0.003   0.000   0.003
 82         0.003   0.000   0.003
 83        -0.003   0.000  -0.003
 84        -0.004   0.000  -0.004
 85        -0.004   0.000  -0.004
 86        -0.003   0.000  -0.003
 87         0.003   0.000   0.003
 88         0.003   0.000   0.003
 89         0.000   0.000   0.000
 90        -0.000   0.000  -0.000
 91        -0.000   0.000  -0.000
 92        -0.000   0.000  -0.000
 93        -0.000   0.000  -0.000
 94         0.000   0.000   0.000
 95        -0.000   0.000  -0.000
 96        -0.000   0.000  -0.000
 97         0.000   0.000   0.000
 98        -0.000   0.000  -0.000
 99        -0.000   0.000  -0.000
100        -0.000   0.000  -0.000
101         0.000   0.000   0.000
102        -0.000   0.000  -0.000
103        -0.000   0.000  -0.000
104        -0.000   0.000  -0.000
105        -0.002   0.000  -0.002
106         0.000   0.000   0.000
107         0.001   0.000   0.001
108         0.002   0.000   0.002
109        -0.002   0.000  -0.002
110         0.000   0.000   0.000
111         0.001   0.000   0.001
112         0.002   0.000   0.002
113         0.000   0.000   0.000
114        -0.000   0.000  -0.000
115        -0.000   0.000  -0.000
116        -0.000   0.000  -0.000
117         0.000   0.000   0.000
118        -0.000   0.000  -0.000
119        -0.000   0.000  -0.000
120        -0.000   0.000  -0.000
121         0.000   0.000   0.000
122        -0.000   0.000  -0.000
123        -0.000   0.000  -0.000
124        -0.000   0.000  -0.000
125        -0.000   0.000  -0.000
126         0.000   0.000   0.000
127        -0.000   0.000  -0.000
128        -0.000   0.000  -0.000
129        -0.002   0.000  -0.002
130         0.000   0.000   0.000
131         0.001   0.000   0.001
132         0.002   0.000   0.002
133        -0.002   0.000  -0.002
134         0.000   0.000   0.000
135         0.001   0.000   0.001
136         0.002   0.000   0.002
137        -0.000   0.000  -0.000
138        -0.001   0.000  -0.001
139         0.000   0.000   0.000
140         0.000   0.000   0.000
141        -0.000   0.000  -0.000
142        -0.001   0.000  -0.001
143         0.000   0.000   0.000
144         0.000   0.000   0.000
145        -0.000   0.000  -0.000
146        -0.001   0.000  -0.001
147         0.000   0.000   0.000
148         0.000   0.000   0.000
149        -0.000   0.000  -0.000
150        -0.000   0.000  -0.000
151         0.000   0.000   0.000
152         0.000   0.000   0.000
153         0.002   0.000   0.002
154         0.003   0.000   0.003
155        -0.002   0.000  -0.002
156        -0.002   0.000  -0.002
157        -0.002   0.000  -0.002
158        -0.002   0.000  -0.002
159         0.003   0.000   0.003
160         0.002   0.000   0.002
 ----------------------------------------
            0.003   0.018   0.021

 Spin-Orbit-Coupling matrix elements

 Ion:    1  E_soc:     -0.0000247
 l=   1
     0.0000000    -0.0000040    -0.0000043
    -0.0000040     0.0000000    -0.0000040
    -0.0000043    -0.0000040     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    2  E_soc:     -0.0000247
 l=   1
     0.0000000    -0.0000040    -0.0000043
    -0.0000040     0.0000000    -0.0000040
    -0.0000043    -0.0000040     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    3  E_soc:     -0.0000255
 l=   1
     0.0000000    -0.0000041    -0.0000044
    -0.0000041     0.0000000    -0.0000041
    -0.0000044    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    4  E_soc:     -0.0000255
 l=   1
     0.0000000    -0.0000042    -0.0000045
    -0.0000042     0.0000000    -0.0000042
    -0.0000045    -0.0000042     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    5  E_soc:     -0.0000249
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    6  E_soc:     -0.0000250
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    7  E_soc:     -0.0000251
 l=   1
     0.0000000    -0.0000041    -0.0000044
    -0.0000041     0.0000000    -0.0000041
    -0.0000044    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    8  E_soc:     -0.0000251
 l=   1
     0.0000000    -0.0000041    -0.0000044
    -0.0000041     0.0000000    -0.0000041
    -0.0000044    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    9  E_soc:     -0.0000249
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   10  E_soc:     -0.0000249
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   11  E_soc:     -0.0000250
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   12  E_soc:     -0.0000250
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   13  E_soc:     -0.0000246
 l=   1
     0.0000000    -0.0000040    -0.0000043
    -0.0000040     0.0000000    -0.0000040
    -0.0000043    -0.0000040     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   14  E_soc:     -0.0000249
 l=   1
     0.0000000    -0.0000041    -0.0000043
    -0.0000041     0.0000000    -0.0000041
    -0.0000043    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   15  E_soc:     -0.0000256
 l=   1
     0.0000000    -0.0000042    -0.0000045
    -0.0000042     0.0000000    -0.0000042
    -0.0000045    -0.0000042     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   16  E_soc:     -0.0000253
 l=   1
     0.0000000    -0.0000041    -0.0000044
    -0.0000041     0.0000000    -0.0000041
    -0.0000044    -0.0000041     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   17  E_soc:     -0.6719686
 l=   1
     0.0000000    -0.0411930    -0.0410218
    -0.0411930     0.0000000    -0.0411940
    -0.0410218    -0.0411940     0.0000000
 l=   2
     0.0000000    -0.0106545     0.0000000    -0.0106516    -0.0431680
    -0.0106545     0.0000000    -0.0318215    -0.0278928    -0.0282909
     0.0000000    -0.0318215     0.0000000    -0.0318169     0.0000000
    -0.0106516    -0.0278928    -0.0318169     0.0000000    -0.0282791
    -0.0431680    -0.0282909     0.0000000    -0.0282791     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   18  E_soc:     -0.6749208
 l=   1
     0.0000000    -0.0411817    -0.0410121
    -0.0411817     0.0000000    -0.0411810
    -0.0410121    -0.0411810     0.0000000
 l=   2
     0.0000000    -0.0106864     0.0000000    -0.0106877    -0.0433037
    -0.0106864     0.0000000    -0.0319211    -0.0282619    -0.0286607
     0.0000000    -0.0319211     0.0000000    -0.0319246     0.0000000
    -0.0106877    -0.0282619    -0.0319246     0.0000000    -0.0286394
    -0.0433037    -0.0286607     0.0000000    -0.0286394     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   19  E_soc:     -0.6818203
 l=   1
     0.0000000    -0.0411987    -0.0410227
    -0.0411987     0.0000000    -0.0411982
    -0.0410227    -0.0411982     0.0000000
 l=   2
     0.0000000    -0.0107651     0.0000000    -0.0107665    -0.0436360
    -0.0107651     0.0000000    -0.0321367    -0.0290306    -0.0295043
     0.0000000    -0.0321367     0.0000000    -0.0321394     0.0000000
    -0.0107665    -0.0290306    -0.0321394     0.0000000    -0.0295121
    -0.0436360    -0.0295043     0.0000000    -0.0295121     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   20  E_soc:     -0.6693240
 l=   1
     0.0000000    -0.0411922    -0.0410097
    -0.0411922     0.0000000    -0.0411933
    -0.0410097    -0.0411933     0.0000000
 l=   2
     0.0000000    -0.0106258     0.0000000    -0.0106223    -0.0430580
    -0.0106258     0.0000000    -0.0317219    -0.0275380    -0.0280106
     0.0000000    -0.0317219     0.0000000    -0.0317152     0.0000000
    -0.0106223    -0.0275380    -0.0317152     0.0000000    -0.0279752
    -0.0430580    -0.0280106     0.0000000    -0.0279752     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   21  E_soc:     -0.6695582
 l=   1
     0.0000000    -0.0412952    -0.0411076
    -0.0412952     0.0000000    -0.0412956
    -0.0411076    -0.0412956     0.0000000
 l=   2
     0.0000000    -0.0106202     0.0000000    -0.0106177    -0.0430420
    -0.0106202     0.0000000    -0.0316993    -0.0275403    -0.0279533
     0.0000000    -0.0316993     0.0000000    -0.0316959     0.0000000
    -0.0106177    -0.0275403    -0.0316959     0.0000000    -0.0279119
    -0.0430420    -0.0279533     0.0000000    -0.0279119     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   22  E_soc:     -0.6690039
 l=   1
     0.0000000    -0.0412957    -0.0411072
    -0.0412957     0.0000000    -0.0412961
    -0.0411072    -0.0412961     0.0000000
 l=   2
     0.0000000    -0.0106161     0.0000000    -0.0106129    -0.0430189
    -0.0106161     0.0000000    -0.0316770    -0.0274328    -0.0279130
     0.0000000    -0.0316770     0.0000000    -0.0316727     0.0000000
    -0.0106129    -0.0274328    -0.0316727     0.0000000    -0.0278597
    -0.0430189    -0.0279130     0.0000000    -0.0278597     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   23  E_soc:     -0.6768372
 l=   1
     0.0000000    -0.0411134    -0.0408410
    -0.0411134     0.0000000    -0.0411135
    -0.0408410    -0.0411135     0.0000000
 l=   2
     0.0000000    -0.0107455     0.0000000    -0.0107395    -0.0436679
    -0.0107455     0.0000000    -0.0318721    -0.0279480    -0.0293173
     0.0000000    -0.0318721     0.0000000    -0.0318673     0.0000000
    -0.0107395    -0.0279480    -0.0318673     0.0000000    -0.0291931
    -0.0436679    -0.0293173     0.0000000    -0.0291931     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   24  E_soc:     -0.6774241
 l=   1
     0.0000000    -0.0411086    -0.0408365
    -0.0411086     0.0000000    -0.0411090
    -0.0408365    -0.0411090     0.0000000
 l=   2
     0.0000000    -0.0107484     0.0000000    -0.0107463    -0.0436939
    -0.0107484     0.0000000    -0.0318954    -0.0280722    -0.0293179
     0.0000000    -0.0318954     0.0000000    -0.0318949     0.0000000
    -0.0107463    -0.0280722    -0.0318949     0.0000000    -0.0292889
    -0.0436939    -0.0293179     0.0000000    -0.0292889     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   25  E_soc:     -0.6713635
 l=   1
     0.0000000    -0.0412952    -0.0411101
    -0.0412952     0.0000000    -0.0412958
    -0.0411101    -0.0412958     0.0000000
 l=   2
     0.0000000    -0.0106415     0.0000000    -0.0106382    -0.0431273
    -0.0106415     0.0000000    -0.0317650    -0.0277593    -0.0281694
     0.0000000    -0.0317650     0.0000000    -0.0317599     0.0000000
    -0.0106382    -0.0277593    -0.0317599     0.0000000    -0.0281199
    -0.0431273    -0.0281694     0.0000000    -0.0281199     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   26  E_soc:     -0.6697872
 l=   1
     0.0000000    -0.0412939    -0.0411094
    -0.0412939     0.0000000    -0.0412941
    -0.0411094    -0.0412941     0.0000000
 l=   2
     0.0000000    -0.0106252     0.0000000    -0.0106228    -0.0430547
    -0.0106252     0.0000000    -0.0317092    -0.0275383    -0.0279934
     0.0000000    -0.0317092     0.0000000    -0.0317063     0.0000000
    -0.0106228    -0.0275383    -0.0317063     0.0000000    -0.0279464
    -0.0430547    -0.0279934     0.0000000    -0.0279464     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   27  E_soc:     -0.6789943
 l=   1
     0.0000000    -0.0410968    -0.0408383
    -0.0410968     0.0000000    -0.0410970
    -0.0408383    -0.0410970     0.0000000
 l=   2
     0.0000000    -0.0107647     0.0000000    -0.0107590    -0.0437280
    -0.0107647     0.0000000    -0.0319595    -0.0283148    -0.0295417
     0.0000000    -0.0319595     0.0000000    -0.0319573     0.0000000
    -0.0107590    -0.0283148    -0.0319573     0.0000000    -0.0294401
    -0.0437280    -0.0295417     0.0000000    -0.0294401     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   28  E_soc:     -0.6746672
 l=   1
     0.0000000    -0.0410893    -0.0408307
    -0.0410893     0.0000000    -0.0410895
    -0.0408307    -0.0410895     0.0000000
 l=   2
     0.0000000    -0.0107127     0.0000000    -0.0107109    -0.0435221
    -0.0107127     0.0000000    -0.0318174    -0.0278277    -0.0289821
     0.0000000    -0.0318174     0.0000000    -0.0318155     0.0000000
    -0.0107109    -0.0278277    -0.0318155     0.0000000    -0.0289358
    -0.0435221    -0.0289821     0.0000000    -0.0289358     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   29  E_soc:     -0.6759301
 l=   1
     0.0000000    -0.0411788    -0.0410026
    -0.0411788     0.0000000    -0.0411781
    -0.0410026    -0.0411781     0.0000000
 l=   2
     0.0000000    -0.0106996     0.0000000    -0.0107030    -0.0433661
    -0.0106996     0.0000000    -0.0319477    -0.0283536    -0.0287870
     0.0000000    -0.0319477     0.0000000    -0.0319537     0.0000000
    -0.0107030    -0.0283536    -0.0319537     0.0000000    -0.0287948
    -0.0433661    -0.0287870     0.0000000    -0.0287948     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   30  E_soc:     -0.6708812
 l=   1
     0.0000000    -0.0411878    -0.0410105
    -0.0411878     0.0000000    -0.0411889
    -0.0410105    -0.0411889     0.0000000
 l=   2
     0.0000000    -0.0106462     0.0000000    -0.0106405    -0.0431369
    -0.0106462     0.0000000    -0.0317826    -0.0277373    -0.0281923
     0.0000000    -0.0317826     0.0000000    -0.0317752     0.0000000
    -0.0106405    -0.0277373    -0.0317752     0.0000000    -0.0281423
    -0.0431369    -0.0281923     0.0000000    -0.0281423     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   31  E_soc:     -0.6763145
 l=   1
     0.0000000    -0.0411775    -0.0410007
    -0.0411775     0.0000000    -0.0411788
    -0.0410007    -0.0411788     0.0000000
 l=   2
     0.0000000    -0.0107092     0.0000000    -0.0107050    -0.0433899
    -0.0107092     0.0000000    -0.0319624    -0.0283509    -0.0288636
     0.0000000    -0.0319624     0.0000000    -0.0319574     0.0000000
    -0.0107050    -0.0283509    -0.0319574     0.0000000    -0.0288619
    -0.0433899    -0.0288636     0.0000000    -0.0288619     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   32  E_soc:     -0.6745854
 l=   1
     0.0000000    -0.0411752    -0.0410014
    -0.0411752     0.0000000    -0.0411744
    -0.0410014    -0.0411744     0.0000000
 l=   2
     0.0000000    -0.0106849     0.0000000    -0.0106873    -0.0432987
    -0.0106849     0.0000000    -0.0319068    -0.0281845    -0.0286468
     0.0000000    -0.0319068     0.0000000    -0.0319089     0.0000000
    -0.0106873    -0.0281845    -0.0319089     0.0000000    -0.0286239
    -0.0432987    -0.0286468     0.0000000    -0.0286239     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   33  E_soc:     -0.3836296
 l=   1
     0.0000000    -0.0638966    -0.0639274
    -0.0638966     0.0000000    -0.0638940
    -0.0639274    -0.0638940     0.0000000
 l=   2
     0.0000000    -0.0000030     0.0000000    -0.0000035    -0.0000082
    -0.0000030     0.0000000    -0.0000061    -0.0000236    -0.0000231
     0.0000000    -0.0000061     0.0000000    -0.0000059     0.0000000
    -0.0000035    -0.0000236    -0.0000059     0.0000000    -0.0000234
    -0.0000082    -0.0000231     0.0000000    -0.0000234     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   34  E_soc:     -0.3836563
 l=   1
     0.0000000    -0.0638982    -0.0639340
    -0.0638982     0.0000000    -0.0638974
    -0.0639340    -0.0638974     0.0000000
 l=   2
     0.0000000    -0.0000031     0.0000000    -0.0000037    -0.0000088
    -0.0000031     0.0000000    -0.0000066    -0.0000236    -0.0000231
     0.0000000    -0.0000066     0.0000000    -0.0000064     0.0000000
    -0.0000037    -0.0000236    -0.0000064     0.0000000    -0.0000234
    -0.0000088    -0.0000231     0.0000000    -0.0000234     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   35  E_soc:     -0.3834425
 l=   1
     0.0000000    -0.0638582    -0.0639171
    -0.0638582     0.0000000    -0.0638583
    -0.0639171    -0.0638583     0.0000000
 l=   2
     0.0000000    -0.0000027     0.0000000    -0.0000022    -0.0000057
    -0.0000027     0.0000000    -0.0000035    -0.0000237    -0.0000232
     0.0000000    -0.0000035     0.0000000    -0.0000033     0.0000000
    -0.0000022    -0.0000237    -0.0000033     0.0000000    -0.0000231
    -0.0000057    -0.0000232     0.0000000    -0.0000231     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   36  E_soc:     -0.3835602
 l=   1
     0.0000000    -0.0638777    -0.0639312
    -0.0638777     0.0000000    -0.0638769
    -0.0639312    -0.0638769     0.0000000
 l=   2
     0.0000000    -0.0000035     0.0000000    -0.0000025    -0.0000080
    -0.0000035     0.0000000    -0.0000050    -0.0000238    -0.0000235
     0.0000000    -0.0000050     0.0000000    -0.0000050     0.0000000
    -0.0000025    -0.0000238    -0.0000050     0.0000000    -0.0000229
    -0.0000080    -0.0000235     0.0000000    -0.0000229     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   37  E_soc:     -0.3836648
 l=   1
     0.0000000    -0.0639004    -0.0639344
    -0.0639004     0.0000000    -0.0638985
    -0.0639344    -0.0638985     0.0000000
 l=   2
     0.0000000    -0.0000032     0.0000000    -0.0000037    -0.0000091
    -0.0000032     0.0000000    -0.0000067    -0.0000236    -0.0000232
     0.0000000    -0.0000067     0.0000000    -0.0000064     0.0000000
    -0.0000037    -0.0000236    -0.0000064     0.0000000    -0.0000233
    -0.0000091    -0.0000232     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   38  E_soc:     -0.3835572
 l=   1
     0.0000000    -0.0638846    -0.0639199
    -0.0638846     0.0000000    -0.0638812
    -0.0639199    -0.0638812     0.0000000
 l=   2
     0.0000000    -0.0000023     0.0000000    -0.0000035    -0.0000069
    -0.0000023     0.0000000    -0.0000053    -0.0000236    -0.0000228
     0.0000000    -0.0000053     0.0000000    -0.0000048     0.0000000
    -0.0000035    -0.0000236    -0.0000048     0.0000000    -0.0000236
    -0.0000069    -0.0000228     0.0000000    -0.0000236     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   39  E_soc:     -0.3835508
 l=   1
     0.0000000    -0.0638753    -0.0639308
    -0.0638753     0.0000000    -0.0638756
    -0.0639308    -0.0638756     0.0000000
 l=   2
     0.0000000    -0.0000034     0.0000000    -0.0000025    -0.0000076
    -0.0000034     0.0000000    -0.0000049    -0.0000237    -0.0000235
     0.0000000    -0.0000049     0.0000000    -0.0000050     0.0000000
    -0.0000025    -0.0000237    -0.0000050     0.0000000    -0.0000230
    -0.0000076    -0.0000235     0.0000000    -0.0000230     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   40  E_soc:     -0.3835089
 l=   1
     0.0000000    -0.0638690    -0.0639238
    -0.0638690     0.0000000    -0.0638701
    -0.0639238    -0.0638701     0.0000000
 l=   2
     0.0000000    -0.0000034     0.0000000    -0.0000022    -0.0000071
    -0.0000034     0.0000000    -0.0000043    -0.0000238    -0.0000235
     0.0000000    -0.0000043     0.0000000    -0.0000044     0.0000000
    -0.0000022    -0.0000238    -0.0000044     0.0000000    -0.0000229
    -0.0000071    -0.0000235     0.0000000    -0.0000229     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   41  E_soc:     -0.3836418
 l=   1
     0.0000000    -0.0638979    -0.0639302
    -0.0638979     0.0000000    -0.0638952
    -0.0639302    -0.0638952     0.0000000
 l=   2
     0.0000000    -0.0000030     0.0000000    -0.0000036    -0.0000085
    -0.0000030     0.0000000    -0.0000064    -0.0000236    -0.0000231
     0.0000000    -0.0000064     0.0000000    -0.0000060     0.0000000
    -0.0000036    -0.0000236    -0.0000060     0.0000000    -0.0000234
    -0.0000085    -0.0000231     0.0000000    -0.0000234     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   42  E_soc:     -0.3836450
 l=   1
     0.0000000    -0.0638971    -0.0639313
    -0.0638971     0.0000000    -0.0638962
    -0.0639313    -0.0638962     0.0000000
 l=   2
     0.0000000    -0.0000031     0.0000000    -0.0000036    -0.0000085
    -0.0000031     0.0000000    -0.0000063    -0.0000236    -0.0000231
     0.0000000    -0.0000063     0.0000000    -0.0000063     0.0000000
    -0.0000036    -0.0000236    -0.0000063     0.0000000    -0.0000233
    -0.0000085    -0.0000231     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   43  E_soc:     -0.3834678
 l=   1
     0.0000000    -0.0638636    -0.0639198
    -0.0638636     0.0000000    -0.0638616
    -0.0639198    -0.0638616     0.0000000
 l=   2
     0.0000000    -0.0000028     0.0000000    -0.0000024    -0.0000061
    -0.0000028     0.0000000    -0.0000039    -0.0000237    -0.0000231
     0.0000000    -0.0000039     0.0000000    -0.0000036     0.0000000
    -0.0000024    -0.0000237    -0.0000036     0.0000000    -0.0000233
    -0.0000061    -0.0000231     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   44  E_soc:     -0.3835336
 l=   1
     0.0000000    -0.0638721    -0.0639281
    -0.0638721     0.0000000    -0.0638735
    -0.0639281    -0.0638735     0.0000000
 l=   2
     0.0000000    -0.0000035     0.0000000    -0.0000023    -0.0000077
    -0.0000035     0.0000000    -0.0000046    -0.0000238    -0.0000236
     0.0000000    -0.0000046     0.0000000    -0.0000048     0.0000000
    -0.0000023    -0.0000238    -0.0000048     0.0000000    -0.0000228
    -0.0000077    -0.0000236     0.0000000    -0.0000228     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   45  E_soc:     -0.3836487
 l=   1
     0.0000000    -0.0638986    -0.0639309
    -0.0638986     0.0000000    -0.0638965
    -0.0639309    -0.0638965     0.0000000
 l=   2
     0.0000000    -0.0000032     0.0000000    -0.0000036    -0.0000088
    -0.0000032     0.0000000    -0.0000064    -0.0000236    -0.0000232
     0.0000000    -0.0000064     0.0000000    -0.0000063     0.0000000
    -0.0000036    -0.0000236    -0.0000063     0.0000000    -0.0000233
    -0.0000088    -0.0000232     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   46  E_soc:     -0.3835724
 l=   1
     0.0000000    -0.0638865    -0.0639231
    -0.0638865     0.0000000    -0.0638830
    -0.0639231    -0.0638830     0.0000000
 l=   2
     0.0000000    -0.0000023     0.0000000    -0.0000036    -0.0000072
    -0.0000023     0.0000000    -0.0000055    -0.0000236    -0.0000227
     0.0000000    -0.0000055     0.0000000    -0.0000050     0.0000000
    -0.0000036    -0.0000236    -0.0000050     0.0000000    -0.0000236
    -0.0000072    -0.0000227     0.0000000    -0.0000236     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   47  E_soc:     -0.3835266
 l=   1
     0.0000000    -0.0638703    -0.0639281
    -0.0638703     0.0000000    -0.0638724
    -0.0639281    -0.0638724     0.0000000
 l=   2
     0.0000000    -0.0000034     0.0000000    -0.0000023    -0.0000072
    -0.0000034     0.0000000    -0.0000045    -0.0000237    -0.0000236
     0.0000000    -0.0000045     0.0000000    -0.0000048     0.0000000
    -0.0000023    -0.0000237    -0.0000048     0.0000000    -0.0000229
    -0.0000072    -0.0000236     0.0000000    -0.0000229     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   48  E_soc:     -0.3835342
 l=   1
     0.0000000    -0.0638746    -0.0639265
    -0.0638746     0.0000000    -0.0638732
    -0.0639265    -0.0638732     0.0000000
 l=   2
     0.0000000    -0.0000034     0.0000000    -0.0000024    -0.0000074
    -0.0000034     0.0000000    -0.0000047    -0.0000238    -0.0000234
     0.0000000    -0.0000047     0.0000000    -0.0000046     0.0000000
    -0.0000024    -0.0000238    -0.0000046     0.0000000    -0.0000230
    -0.0000074    -0.0000234     0.0000000    -0.0000230     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   49  E_soc:     -0.3835697
 l=   1
     0.0000000    -0.0638817    -0.0639220
    -0.0638817     0.0000000    -0.0638876
    -0.0639220    -0.0638876     0.0000000
 l=   2
     0.0000000    -0.0000036     0.0000000    -0.0000024    -0.0000072
    -0.0000036     0.0000000    -0.0000050    -0.0000236    -0.0000235
     0.0000000    -0.0000050     0.0000000    -0.0000056     0.0000000
    -0.0000024    -0.0000236    -0.0000056     0.0000000    -0.0000228
    -0.0000072    -0.0000235     0.0000000    -0.0000228     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   50  E_soc:     -0.3836504
 l=   1
     0.0000000    -0.0638949    -0.0639324
    -0.0638949     0.0000000    -0.0638996
    -0.0639324    -0.0638996     0.0000000
 l=   2
     0.0000000    -0.0000037     0.0000000    -0.0000030    -0.0000088
    -0.0000037     0.0000000    -0.0000062    -0.0000236    -0.0000233
     0.0000000    -0.0000062     0.0000000    -0.0000065     0.0000000
    -0.0000030    -0.0000236    -0.0000065     0.0000000    -0.0000231
    -0.0000088    -0.0000233     0.0000000    -0.0000231     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   51  E_soc:     -0.3835396
 l=   1
     0.0000000    -0.0638729    -0.0639280
    -0.0638729     0.0000000    -0.0638759
    -0.0639280    -0.0638759     0.0000000
 l=   2
     0.0000000    -0.0000023     0.0000000    -0.0000036    -0.0000076
    -0.0000023     0.0000000    -0.0000048    -0.0000237    -0.0000227
     0.0000000    -0.0000048     0.0000000    -0.0000047     0.0000000
    -0.0000036    -0.0000237    -0.0000047     0.0000000    -0.0000237
    -0.0000076    -0.0000227     0.0000000    -0.0000237     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   52  E_soc:     -0.3835177
 l=   1
     0.0000000    -0.0638679    -0.0639269
    -0.0638679     0.0000000    -0.0638722
    -0.0639269    -0.0638722     0.0000000
 l=   2
     0.0000000    -0.0000025     0.0000000    -0.0000032    -0.0000071
    -0.0000025     0.0000000    -0.0000043    -0.0000238    -0.0000231
     0.0000000    -0.0000043     0.0000000    -0.0000047     0.0000000
    -0.0000032    -0.0000238    -0.0000047     0.0000000    -0.0000233
    -0.0000071    -0.0000231     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   53  E_soc:     -0.3836191
 l=   1
     0.0000000    -0.0638895    -0.0639287
    -0.0638895     0.0000000    -0.0638949
    -0.0639287    -0.0638949     0.0000000
 l=   2
     0.0000000    -0.0000037     0.0000000    -0.0000028    -0.0000079
    -0.0000037     0.0000000    -0.0000057    -0.0000236    -0.0000234
     0.0000000    -0.0000057     0.0000000    -0.0000062     0.0000000
    -0.0000028    -0.0000236    -0.0000062     0.0000000    -0.0000230
    -0.0000079    -0.0000234     0.0000000    -0.0000230     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   54  E_soc:     -0.3836653
 l=   1
     0.0000000    -0.0638984    -0.0639327
    -0.0638984     0.0000000    -0.0639026
    -0.0639327    -0.0639026     0.0000000
 l=   2
     0.0000000    -0.0000037     0.0000000    -0.0000032    -0.0000090
    -0.0000037     0.0000000    -0.0000064    -0.0000236    -0.0000232
     0.0000000    -0.0000064     0.0000000    -0.0000066     0.0000000
    -0.0000032    -0.0000236    -0.0000066     0.0000000    -0.0000233
    -0.0000090    -0.0000232     0.0000000    -0.0000233     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   55  E_soc:     -0.3835510
 l=   1
     0.0000000    -0.0638732    -0.0639307
    -0.0638732     0.0000000    -0.0638777
    -0.0639307    -0.0638777     0.0000000
 l=   2
     0.0000000    -0.0000026     0.0000000    -0.0000034    -0.0000079
    -0.0000026     0.0000000    -0.0000048    -0.0000238    -0.0000229
     0.0000000    -0.0000048     0.0000000    -0.0000049     0.0000000
    -0.0000034    -0.0000238    -0.0000049     0.0000000    -0.0000235
    -0.0000079    -0.0000229     0.0000000    -0.0000235     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   56  E_soc:     -0.3834471
 l=   1
     0.0000000    -0.0638568    -0.0639175
    -0.0638568     0.0000000    -0.0638613
    -0.0639175    -0.0638613     0.0000000
 l=   2
     0.0000000    -0.0000022     0.0000000    -0.0000028    -0.0000058
    -0.0000022     0.0000000    -0.0000034    -0.0000237    -0.0000230
     0.0000000    -0.0000034     0.0000000    -0.0000037     0.0000000
    -0.0000028    -0.0000237    -0.0000037     0.0000000    -0.0000232
    -0.0000058    -0.0000230     0.0000000    -0.0000232     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   57  E_soc:     -0.3835767
 l=   1
     0.0000000    -0.0638824    -0.0639234
    -0.0638824     0.0000000    -0.0638884
    -0.0639234    -0.0638884     0.0000000
 l=   2
     0.0000000    -0.0000036     0.0000000    -0.0000025    -0.0000073
    -0.0000036     0.0000000    -0.0000051    -0.0000236    -0.0000235
     0.0000000    -0.0000051     0.0000000    -0.0000057     0.0000000
    -0.0000025    -0.0000236    -0.0000057     0.0000000    -0.0000228
    -0.0000073    -0.0000235     0.0000000    -0.0000228     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   58  E_soc:     -0.3836436
 l=   1
     0.0000000    -0.0638940    -0.0639310
    -0.0638940     0.0000000    -0.0638989
    -0.0639310    -0.0638989     0.0000000
 l=   2
     0.0000000    -0.0000037     0.0000000    -0.0000030    -0.0000087
    -0.0000037     0.0000000    -0.0000061    -0.0000236    -0.0000233
     0.0000000    -0.0000061     0.0000000    -0.0000064     0.0000000
    -0.0000030    -0.0000236    -0.0000064     0.0000000    -0.0000232
    -0.0000087    -0.0000233     0.0000000    -0.0000232     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   59  E_soc:     -0.3835739
 l=   1
     0.0000000    -0.0638775    -0.0639331
    -0.0638775     0.0000000    -0.0638813
    -0.0639331    -0.0638813     0.0000000
 l=   2
     0.0000000    -0.0000026     0.0000000    -0.0000036    -0.0000082
    -0.0000026     0.0000000    -0.0000051    -0.0000238    -0.0000229
     0.0000000    -0.0000051     0.0000000    -0.0000052     0.0000000
    -0.0000036    -0.0000238    -0.0000052     0.0000000    -0.0000236
    -0.0000082    -0.0000229     0.0000000    -0.0000236     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   60  E_soc:     -0.3834848
 l=   1
     0.0000000    -0.0638633    -0.0639221
    -0.0638633     0.0000000    -0.0638669
    -0.0639221    -0.0638669     0.0000000
 l=   2
     0.0000000    -0.0000023     0.0000000    -0.0000031    -0.0000064
    -0.0000023     0.0000000    -0.0000040    -0.0000237    -0.0000229
     0.0000000    -0.0000040     0.0000000    -0.0000042     0.0000000
    -0.0000031    -0.0000237    -0.0000042     0.0000000    -0.0000234
    -0.0000064    -0.0000229     0.0000000    -0.0000234     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   61  E_soc:     -0.3836098
 l=   1
     0.0000000    -0.0638884    -0.0639270
    -0.0638884     0.0000000    -0.0638936
    -0.0639270    -0.0638936     0.0000000
 l=   2
     0.0000000    -0.0000036     0.0000000    -0.0000028    -0.0000078
    -0.0000036     0.0000000    -0.0000056    -0.0000236    -0.0000234
     0.0000000    -0.0000056     0.0000000    -0.0000061     0.0000000
    -0.0000028    -0.0000236    -0.0000061     0.0000000    -0.0000230
    -0.0000078    -0.0000234     0.0000000    -0.0000230     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   62  E_soc:     -0.3836772
 l=   1
     0.0000000    -0.0638997    -0.0639349
    -0.0638997     0.0000000    -0.0639044
    -0.0639349    -0.0639044     0.0000000
 l=   2
     0.0000000    -0.0000037     0.0000000    -0.0000032    -0.0000091
    -0.0000037     0.0000000    -0.0000065    -0.0000237    -0.0000233
     0.0000000    -0.0000065     0.0000000    -0.0000068     0.0000000
    -0.0000032    -0.0000237    -0.0000068     0.0000000    -0.0000232
    -0.0000091    -0.0000233     0.0000000    -0.0000232     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   63  E_soc:     -0.3835204
 l=   1
     0.0000000    -0.0638693    -0.0639265
    -0.0638693     0.0000000    -0.0638724
    -0.0639265    -0.0638724     0.0000000
 l=   2
     0.0000000    -0.0000023     0.0000000    -0.0000034    -0.0000073
    -0.0000023     0.0000000    -0.0000044    -0.0000238    -0.0000228
     0.0000000    -0.0000044     0.0000000    -0.0000044     0.0000000
    -0.0000034    -0.0000238    -0.0000044     0.0000000    -0.0000236
    -0.0000073    -0.0000228     0.0000000    -0.0000236     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   64  E_soc:     -0.3834783
 l=   1
     0.0000000    -0.0638610    -0.0639219
    -0.0638610     0.0000000    -0.0638665
    -0.0639219    -0.0638665     0.0000000
 l=   2
     0.0000000    -0.0000025     0.0000000    -0.0000029    -0.0000064
    -0.0000025     0.0000000    -0.0000037    -0.0000237    -0.0000232
     0.0000000    -0.0000037     0.0000000    -0.0000042     0.0000000
    -0.0000029    -0.0000237    -0.0000042     0.0000000    -0.0000231
    -0.0000064    -0.0000232     0.0000000    -0.0000231     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   65  E_soc:     -0.0008379
 l=   1
     0.0000000    -0.0001302    -0.0001584
    -0.0001302     0.0000000    -0.0001303
    -0.0001584    -0.0001303     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   66  E_soc:     -0.0008405
 l=   1
     0.0000000    -0.0001315    -0.0001574
    -0.0001315     0.0000000    -0.0001313
    -0.0001574    -0.0001313     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   67  E_soc:     -0.0008450
 l=   1
     0.0000000    -0.0001339    -0.0001547
    -0.0001339     0.0000000    -0.0001340
    -0.0001547    -0.0001340     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   68  E_soc:     -0.0008363
 l=   1
     0.0000000    -0.0001295    -0.0001593
    -0.0001295     0.0000000    -0.0001293
    -0.0001593    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   69  E_soc:     -0.0008405
 l=   1
     0.0000000    -0.0001316    -0.0001573
    -0.0001316     0.0000000    -0.0001313
    -0.0001573    -0.0001313     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   70  E_soc:     -0.0008379
 l=   1
     0.0000000    -0.0001302    -0.0001584
    -0.0001302     0.0000000    -0.0001303
    -0.0001584    -0.0001303     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   71  E_soc:     -0.0008363
 l=   1
     0.0000000    -0.0001295    -0.0001593
    -0.0001295     0.0000000    -0.0001294
    -0.0001593    -0.0001294     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   72  E_soc:     -0.0008452
 l=   1
     0.0000000    -0.0001339    -0.0001547
    -0.0001339     0.0000000    -0.0001340
    -0.0001547    -0.0001340     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   73  E_soc:     -0.0008382
 l=   1
     0.0000000    -0.0001303    -0.0001584
    -0.0001303     0.0000000    -0.0001304
    -0.0001584    -0.0001304     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   74  E_soc:     -0.0008404
 l=   1
     0.0000000    -0.0001315    -0.0001573
    -0.0001315     0.0000000    -0.0001313
    -0.0001573    -0.0001313     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   75  E_soc:     -0.0008449
 l=   1
     0.0000000    -0.0001339    -0.0001546
    -0.0001339     0.0000000    -0.0001340
    -0.0001546    -0.0001340     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   76  E_soc:     -0.0008362
 l=   1
     0.0000000    -0.0001295    -0.0001592
    -0.0001295     0.0000000    -0.0001293
    -0.0001592    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   77  E_soc:     -0.0008404
 l=   1
     0.0000000    -0.0001315    -0.0001574
    -0.0001315     0.0000000    -0.0001313
    -0.0001574    -0.0001313     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   78  E_soc:     -0.0008381
 l=   1
     0.0000000    -0.0001303    -0.0001584
    -0.0001303     0.0000000    -0.0001304
    -0.0001584    -0.0001304     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   79  E_soc:     -0.0008362
 l=   1
     0.0000000    -0.0001295    -0.0001592
    -0.0001295     0.0000000    -0.0001293
    -0.0001592    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   80  E_soc:     -0.0008450
 l=   1
     0.0000000    -0.0001339    -0.0001547
    -0.0001339     0.0000000    -0.0001339
    -0.0001547    -0.0001339     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   81  E_soc:     -0.0008455
 l=   1
     0.0000000    -0.0001629    -0.0000969
    -0.0001629     0.0000000    -0.0001629
    -0.0000969    -0.0001629     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   82  E_soc:     -0.0008474
 l=   1
     0.0000000    -0.0001619    -0.0000999
    -0.0001619     0.0000000    -0.0001619
    -0.0000999    -0.0001619     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   83  E_soc:     -0.0008554
 l=   1
     0.0000000    -0.0001600    -0.0001077
    -0.0001600     0.0000000    -0.0001600
    -0.0001077    -0.0001600     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   84  E_soc:     -0.0008471
 l=   1
     0.0000000    -0.0001644    -0.0000947
    -0.0001644     0.0000000    -0.0001644
    -0.0000947    -0.0001644     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   85  E_soc:     -0.0008435
 l=   1
     0.0000000    -0.0001639    -0.0000938
    -0.0001639     0.0000000    -0.0001640
    -0.0000938    -0.0001640     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   86  E_soc:     -0.0008516
 l=   1
     0.0000000    -0.0001596    -0.0001067
    -0.0001596     0.0000000    -0.0001595
    -0.0001067    -0.0001595     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   87  E_soc:     -0.0008510
 l=   1
     0.0000000    -0.0001623    -0.0001009
    -0.0001623     0.0000000    -0.0001623
    -0.0001009    -0.0001623     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   88  E_soc:     -0.0008489
 l=   1
     0.0000000    -0.0001633    -0.0000978
    -0.0001633     0.0000000    -0.0001633
    -0.0000978    -0.0001633     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   89  E_soc:     -0.0008364
 l=   1
     0.0000000    -0.0001295    -0.0001595
    -0.0001295     0.0000000    -0.0001292
    -0.0001595    -0.0001292     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   90  E_soc:     -0.0008371
 l=   1
     0.0000000    -0.0001295    -0.0001598
    -0.0001295     0.0000000    -0.0001292
    -0.0001598    -0.0001292     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   91  E_soc:     -0.0008426
 l=   1
     0.0000000    -0.0001335    -0.0001551
    -0.0001335     0.0000000    -0.0001327
    -0.0001551    -0.0001327     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   92  E_soc:     -0.0008421
 l=   1
     0.0000000    -0.0001332    -0.0001548
    -0.0001332     0.0000000    -0.0001331
    -0.0001548    -0.0001331     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   93  E_soc:     -0.0008366
 l=   1
     0.0000000    -0.0001294    -0.0001597
    -0.0001294     0.0000000    -0.0001292
    -0.0001597    -0.0001292     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   94  E_soc:     -0.0008368
 l=   1
     0.0000000    -0.0001295    -0.0001596
    -0.0001295     0.0000000    -0.0001293
    -0.0001596    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   95  E_soc:     -0.0008423
 l=   1
     0.0000000    -0.0001331    -0.0001549
    -0.0001331     0.0000000    -0.0001331
    -0.0001549    -0.0001331     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   96  E_soc:     -0.0008424
 l=   1
     0.0000000    -0.0001335    -0.0001549
    -0.0001335     0.0000000    -0.0001327
    -0.0001549    -0.0001327     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   97  E_soc:     -0.0008368
 l=   1
     0.0000000    -0.0001296    -0.0001595
    -0.0001296     0.0000000    -0.0001293
    -0.0001595    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   98  E_soc:     -0.0008364
 l=   1
     0.0000000    -0.0001295    -0.0001594
    -0.0001295     0.0000000    -0.0001293
    -0.0001594    -0.0001293     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:   99  E_soc:     -0.0008418
 l=   1
     0.0000000    -0.0001335    -0.0001547
    -0.0001335     0.0000000    -0.0001327
    -0.0001547    -0.0001327     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  100  E_soc:     -0.0008422
 l=   1
     0.0000000    -0.0001331    -0.0001549
    -0.0001331     0.0000000    -0.0001330
    -0.0001549    -0.0001330     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  101  E_soc:     -0.0008367
 l=   1
     0.0000000    -0.0001297    -0.0001592
    -0.0001297     0.0000000    -0.0001294
    -0.0001592    -0.0001294     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  102  E_soc:     -0.0008366
 l=   1
     0.0000000    -0.0001295    -0.0001597
    -0.0001295     0.0000000    -0.0001291
    -0.0001597    -0.0001291     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  103  E_soc:     -0.0008420
 l=   1
     0.0000000    -0.0001334    -0.0001551
    -0.0001334     0.0000000    -0.0001325
    -0.0001551    -0.0001325     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  104  E_soc:     -0.0008419
 l=   1
     0.0000000    -0.0001332    -0.0001545
    -0.0001332     0.0000000    -0.0001332
    -0.0001545    -0.0001332     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  105  E_soc:     -0.0008455
 l=   1
     0.0000000    -0.0001640    -0.0000947
    -0.0001640     0.0000000    -0.0001641
    -0.0000947    -0.0001641     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  106  E_soc:     -0.0008444
 l=   1
     0.0000000    -0.0001643    -0.0000936
    -0.0001643     0.0000000    -0.0001643
    -0.0000936    -0.0001643     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  107  E_soc:     -0.0008464
 l=   1
     0.0000000    -0.0001630    -0.0000971
    -0.0001630     0.0000000    -0.0001631
    -0.0000971    -0.0001631     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  108  E_soc:     -0.0008477
 l=   1
     0.0000000    -0.0001628    -0.0000983
    -0.0001628     0.0000000    -0.0001628
    -0.0000983    -0.0001628     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  109  E_soc:     -0.0008456
 l=   1
     0.0000000    -0.0001640    -0.0000948
    -0.0001640     0.0000000    -0.0001640
    -0.0000948    -0.0001640     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  110  E_soc:     -0.0008444
 l=   1
     0.0000000    -0.0001642    -0.0000937
    -0.0001642     0.0000000    -0.0001642
    -0.0000937    -0.0001642     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  111  E_soc:     -0.0008465
 l=   1
     0.0000000    -0.0001631    -0.0000971
    -0.0001631     0.0000000    -0.0001631
    -0.0000971    -0.0001631     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  112  E_soc:     -0.0008479
 l=   1
     0.0000000    -0.0001629    -0.0000982
    -0.0001629     0.0000000    -0.0001628
    -0.0000982    -0.0001628     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  113  E_soc:     -0.0008380
 l=   1
     0.0000000    -0.0001301    -0.0001591
    -0.0001301     0.0000000    -0.0001298
    -0.0001591    -0.0001298     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  114  E_soc:     -0.0008374
 l=   1
     0.0000000    -0.0001298    -0.0001594
    -0.0001298     0.0000000    -0.0001295
    -0.0001594    -0.0001295     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  115  E_soc:     -0.0008435
 l=   1
     0.0000000    -0.0001340    -0.0001543
    -0.0001340     0.0000000    -0.0001334
    -0.0001543    -0.0001334     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  116  E_soc:     -0.0008403
 l=   1
     0.0000000    -0.0001321    -0.0001563
    -0.0001321     0.0000000    -0.0001318
    -0.0001563    -0.0001318     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  117  E_soc:     -0.0008378
 l=   1
     0.0000000    -0.0001302    -0.0001588
    -0.0001302     0.0000000    -0.0001300
    -0.0001588    -0.0001300     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  118  E_soc:     -0.0008376
 l=   1
     0.0000000    -0.0001297    -0.0001596
    -0.0001297     0.0000000    -0.0001294
    -0.0001596    -0.0001294     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  119  E_soc:     -0.0008436
 l=   1
     0.0000000    -0.0001339    -0.0001546
    -0.0001339     0.0000000    -0.0001333
    -0.0001546    -0.0001333     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  120  E_soc:     -0.0008400
 l=   1
     0.0000000    -0.0001321    -0.0001559
    -0.0001321     0.0000000    -0.0001319
    -0.0001559    -0.0001319     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  121  E_soc:     -0.0008377
 l=   1
     0.0000000    -0.0001302    -0.0001587
    -0.0001302     0.0000000    -0.0001299
    -0.0001587    -0.0001299     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  122  E_soc:     -0.0008373
 l=   1
     0.0000000    -0.0001297    -0.0001595
    -0.0001297     0.0000000    -0.0001295
    -0.0001595    -0.0001295     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  123  E_soc:     -0.0008433
 l=   1
     0.0000000    -0.0001340    -0.0001542
    -0.0001340     0.0000000    -0.0001335
    -0.0001542    -0.0001335     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  124  E_soc:     -0.0008401
 l=   1
     0.0000000    -0.0001323    -0.0001557
    -0.0001323     0.0000000    -0.0001320
    -0.0001557    -0.0001320     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  125  E_soc:     -0.0008368
 l=   1
     0.0000000    -0.0001297    -0.0001593
    -0.0001297     0.0000000    -0.0001294
    -0.0001593    -0.0001294     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  126  E_soc:     -0.0008383
 l=   1
     0.0000000    -0.0001303    -0.0001589
    -0.0001303     0.0000000    -0.0001300
    -0.0001589    -0.0001300     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  127  E_soc:     -0.0008405
 l=   1
     0.0000000    -0.0001323    -0.0001559
    -0.0001323     0.0000000    -0.0001320
    -0.0001559    -0.0001320     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  128  E_soc:     -0.0008432
 l=   1
     0.0000000    -0.0001341    -0.0001541
    -0.0001341     0.0000000    -0.0001334
    -0.0001541    -0.0001334     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  129  E_soc:     -0.0008469
 l=   1
     0.0000000    -0.0001634    -0.0000966
    -0.0001634     0.0000000    -0.0001634
    -0.0000966    -0.0001634     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  130  E_soc:     -0.0008453
 l=   1
     0.0000000    -0.0001640    -0.0000946
    -0.0001640     0.0000000    -0.0001641
    -0.0000946    -0.0001641     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  131  E_soc:     -0.0008482
 l=   1
     0.0000000    -0.0001619    -0.0001003
    -0.0001619     0.0000000    -0.0001619
    -0.0001003    -0.0001619     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  132  E_soc:     -0.0008457
 l=   1
     0.0000000    -0.0001634    -0.0000960
    -0.0001634     0.0000000    -0.0001634
    -0.0000960    -0.0001634     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  133  E_soc:     -0.0008469
 l=   1
     0.0000000    -0.0001633    -0.0000967
    -0.0001633     0.0000000    -0.0001634
    -0.0000967    -0.0001634     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  134  E_soc:     -0.0008452
 l=   1
     0.0000000    -0.0001640    -0.0000946
    -0.0001640     0.0000000    -0.0001640
    -0.0000946    -0.0001640     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  135  E_soc:     -0.0008484
 l=   1
     0.0000000    -0.0001620    -0.0001002
    -0.0001620     0.0000000    -0.0001620
    -0.0001002    -0.0001620     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  136  E_soc:     -0.0008460
 l=   1
     0.0000000    -0.0001635    -0.0000960
    -0.0001635     0.0000000    -0.0001635
    -0.0000960    -0.0001635     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  137  E_soc:     -0.0008408
 l=   1
     0.0000000    -0.0001316    -0.0001571
    -0.0001316     0.0000000    -0.0001316
    -0.0001571    -0.0001316     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  138  E_soc:     -0.0008374
 l=   1
     0.0000000    -0.0001300    -0.0001589
    -0.0001300     0.0000000    -0.0001298
    -0.0001589    -0.0001298     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  139  E_soc:     -0.0008413
 l=   1
     0.0000000    -0.0001318    -0.0001569
    -0.0001318     0.0000000    -0.0001319
    -0.0001569    -0.0001319     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  140  E_soc:     -0.0008400
 l=   1
     0.0000000    -0.0001313    -0.0001576
    -0.0001313     0.0000000    -0.0001311
    -0.0001576    -0.0001311     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  141  E_soc:     -0.0008408
 l=   1
     0.0000000    -0.0001316    -0.0001572
    -0.0001316     0.0000000    -0.0001316
    -0.0001572    -0.0001316     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  142  E_soc:     -0.0008374
 l=   1
     0.0000000    -0.0001300    -0.0001589
    -0.0001300     0.0000000    -0.0001298
    -0.0001589    -0.0001298     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  143  E_soc:     -0.0008412
 l=   1
     0.0000000    -0.0001318    -0.0001569
    -0.0001318     0.0000000    -0.0001320
    -0.0001569    -0.0001320     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  144  E_soc:     -0.0008399
 l=   1
     0.0000000    -0.0001313    -0.0001576
    -0.0001313     0.0000000    -0.0001311
    -0.0001576    -0.0001311     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  145  E_soc:     -0.0008414
 l=   1
     0.0000000    -0.0001319    -0.0001568
    -0.0001319     0.0000000    -0.0001320
    -0.0001568    -0.0001320     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  146  E_soc:     -0.0008378
 l=   1
     0.0000000    -0.0001303    -0.0001586
    -0.0001303     0.0000000    -0.0001301
    -0.0001586    -0.0001301     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  147  E_soc:     -0.0008418
 l=   1
     0.0000000    -0.0001321    -0.0001566
    -0.0001321     0.0000000    -0.0001322
    -0.0001566    -0.0001322     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  148  E_soc:     -0.0008404
 l=   1
     0.0000000    -0.0001316    -0.0001573
    -0.0001316     0.0000000    -0.0001314
    -0.0001573    -0.0001314     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  149  E_soc:     -0.0008415
 l=   1
     0.0000000    -0.0001320    -0.0001568
    -0.0001320     0.0000000    -0.0001320
    -0.0001568    -0.0001320     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  150  E_soc:     -0.0008378
 l=   1
     0.0000000    -0.0001302    -0.0001586
    -0.0001302     0.0000000    -0.0001300
    -0.0001586    -0.0001300     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  151  E_soc:     -0.0008417
 l=   1
     0.0000000    -0.0001321    -0.0001566
    -0.0001321     0.0000000    -0.0001322
    -0.0001566    -0.0001322     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  152  E_soc:     -0.0008404
 l=   1
     0.0000000    -0.0001316    -0.0001572
    -0.0001316     0.0000000    -0.0001313
    -0.0001572    -0.0001313     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  153  E_soc:     -0.0008480
 l=   1
     0.0000000    -0.0001617    -0.0001007
    -0.0001617     0.0000000    -0.0001616
    -0.0001007    -0.0001616     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  154  E_soc:     -0.0008453
 l=   1
     0.0000000    -0.0001635    -0.0000956
    -0.0001635     0.0000000    -0.0001635
    -0.0000956    -0.0001635     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  155  E_soc:     -0.0008507
 l=   1
     0.0000000    -0.0001620    -0.0001015
    -0.0001620     0.0000000    -0.0001619
    -0.0001015    -0.0001619     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  156  E_soc:     -0.0008501
 l=   1
     0.0000000    -0.0001624    -0.0001001
    -0.0001624     0.0000000    -0.0001625
    -0.0001001    -0.0001625     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  157  E_soc:     -0.0008468
 l=   1
     0.0000000    -0.0001620    -0.0000993
    -0.0001620     0.0000000    -0.0001621
    -0.0000993    -0.0001621     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  158  E_soc:     -0.0008479
 l=   1
     0.0000000    -0.0001617    -0.0001007
    -0.0001617     0.0000000    -0.0001616
    -0.0001007    -0.0001616     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  159  E_soc:     -0.0008476
 l=   1
     0.0000000    -0.0001637    -0.0000964
    -0.0001637     0.0000000    -0.0001637
    -0.0000964    -0.0001637     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:  160  E_soc:     -0.0008512
 l=   1
     0.0000000    -0.0001620    -0.0001016
    -0.0001620     0.0000000    -0.0001620
    -0.0001016    -0.0001620     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 


 total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.062   0.061   0.000   0.123
    2        0.062   0.061   0.000   0.123
    3        0.062   0.061   0.000   0.124
    4        0.062   0.061   0.000   0.123
    5        0.062   0.061   0.000   0.123
    6        0.062   0.061   0.000   0.123
    7        0.062   0.061   0.000   0.123
    8        0.062   0.061   0.000   0.123
    9        0.062   0.061   0.000   0.123
   10        0.062   0.061   0.000   0.123
   11        0.062   0.061   0.000   0.123
   12        0.062   0.061   0.000   0.123
   13        0.062   0.061   0.000   0.123
   14        0.062   0.061   0.000   0.123
   15        0.062   0.061   0.000   0.123
   16        0.062   0.061   0.000   0.123
   17        0.719   1.188   5.677   7.583
   18        0.718   1.187   5.684   7.589
   19        0.719   1.188   5.705   7.612
   20        0.718   1.187   5.668   7.574
   21        0.720   1.191   5.679   7.591
   22        0.720   1.192   5.678   7.589
   23        0.717   1.183   5.680   7.579
   24        0.717   1.183   5.681   7.580
   25        0.720   1.191   5.685   7.596
   26        0.720   1.191   5.680   7.591
   27        0.717   1.182   5.684   7.583
   28        0.717   1.182   5.671   7.569
   29        0.718   1.187   5.687   7.592
   30        0.718   1.187   5.673   7.579
   31        0.718   1.187   5.688   7.593
   32        0.718   1.187   5.682   7.587
   33        1.998   5.621   0.237   7.856
   34        1.998   5.621   0.237   7.856
   35        1.998   5.621   0.237   7.856
   36        1.998   5.621   0.237   7.856
   37        1.998   5.621   0.237   7.856
   38        1.998   5.621   0.237   7.856
   39        1.998   5.621   0.237   7.856
   40        1.998   5.621   0.237   7.856
   41        1.998   5.621   0.237   7.856
   42        1.998   5.621   0.237   7.856
   43        1.998   5.621   0.237   7.856
   44        1.998   5.621   0.237   7.856
   45        1.998   5.621   0.237   7.856
   46        1.998   5.621   0.237   7.856
   47        1.998   5.621   0.237   7.856
   48        1.998   5.621   0.237   7.856
   49        1.998   5.621   0.237   7.856
   50        1.998   5.621   0.237   7.856
   51        1.998   5.621   0.237   7.856
   52        1.998   5.621   0.237   7.856
   53        1.998   5.621   0.237   7.856
   54        1.998   5.621   0.237   7.856
   55        1.998   5.621   0.237   7.856
   56        1.998   5.621   0.237   7.856
   57        1.998   5.621   0.237   7.856
   58        1.998   5.621   0.237   7.856
   59        1.998   5.621   0.237   7.856
   60        1.998   5.621   0.237   7.856
   61        1.998   5.621   0.237   7.856
   62        1.998   5.621   0.237   7.856
   63        1.998   5.621   0.237   7.856
   64        1.998   5.621   0.237   7.856
   65        1.568   3.416   0.000   4.984
   66        1.568   3.417   0.000   4.985
   67        1.568   3.419   0.000   4.987
   68        1.568   3.416   0.000   4.984
   69        1.568   3.417   0.000   4.985
   70        1.568   3.416   0.000   4.984
   71        1.568   3.416   0.000   4.984
   72        1.568   3.419   0.000   4.987
   73        1.568   3.416   0.000   4.984
   74        1.568   3.417   0.000   4.985
   75        1.568   3.419   0.000   4.986
   76        1.568   3.416   0.000   4.983
   77        1.568   3.417   0.000   4.985
   78        1.568   3.416   0.000   4.984
   79        1.568   3.416   0.000   4.983
   80        1.568   3.419   0.000   4.986
   81        1.568   3.418   0.000   4.986
   82        1.568   3.419   0.000   4.987
   83        1.568   3.421   0.000   4.989
   84        1.568   3.418   0.000   4.986
   85        1.568   3.418   0.000   4.986
   86        1.568   3.421   0.000   4.989
   87        1.568   3.419   0.000   4.987
   88        1.568   3.418   0.000   4.986
   89        1.568   3.416   0.000   4.984
   90        1.568   3.416   0.000   4.984
   91        1.567   3.417   0.000   4.984
   92        1.567   3.417   0.000   4.984
   93        1.568   3.416   0.000   4.984
   94        1.568   3.416   0.000   4.984
   95        1.567   3.417   0.000   4.984
   96        1.567   3.417   0.000   4.984
   97        1.568   3.416   0.000   4.984
   98        1.568   3.416   0.000   4.983
   99        1.567   3.417   0.000   4.984
  100        1.567   3.417   0.000   4.984
  101        1.568   3.416   0.000   4.984
  102        1.568   3.416   0.000   4.983
  103        1.567   3.417   0.000   4.984
  104        1.567   3.417   0.000   4.984
  105        1.568   3.418   0.000   4.986
  106        1.568   3.418   0.000   4.986
  107        1.568   3.419   0.000   4.987
  108        1.568   3.419   0.000   4.987
  109        1.568   3.418   0.000   4.986
  110        1.568   3.418   0.000   4.986
  111        1.568   3.418   0.000   4.986
  112        1.568   3.418   0.000   4.986
  113        1.568   3.416   0.000   4.984
  114        1.568   3.416   0.000   4.984
  115        1.567   3.417   0.000   4.985
  116        1.567   3.416   0.000   4.983
  117        1.568   3.417   0.000   4.984
  118        1.568   3.416   0.000   4.984
  119        1.567   3.417   0.000   4.985
  120        1.567   3.416   0.000   4.984
  121        1.568   3.417   0.000   4.984
  122        1.568   3.416   0.000   4.984
  123        1.567   3.417   0.000   4.984
  124        1.567   3.416   0.000   4.983
  125        1.568   3.416   0.000   4.984
  126        1.568   3.417   0.000   4.984
  127        1.567   3.416   0.000   4.983
  128        1.567   3.417   0.000   4.984
  129        1.568   3.419   0.000   4.987
  130        1.568   3.418   0.000   4.986
  131        1.568   3.419   0.000   4.987
  132        1.568   3.418   0.000   4.986
  133        1.568   3.419   0.000   4.987
  134        1.568   3.418   0.000   4.986
  135        1.568   3.419   0.000   4.987
  136        1.568   3.418   0.000   4.986
  137        1.568   3.417   0.000   4.985
  138        1.568   3.416   0.000   4.984
  139        1.568   3.418   0.000   4.985
  140        1.568   3.417   0.000   4.985
  141        1.568   3.417   0.000   4.985
  142        1.568   3.416   0.000   4.984
  143        1.568   3.418   0.000   4.985
  144        1.568   3.417   0.000   4.985
  145        1.568   3.417   0.000   4.985
  146        1.568   3.416   0.000   4.983
  147        1.568   3.417   0.000   4.985
  148        1.568   3.417   0.000   4.984
  149        1.568   3.417   0.000   4.985
  150        1.568   3.416   0.000   4.983
  151        1.568   3.417   0.000   4.985
  152        1.568   3.417   0.000   4.984
  153        1.568   3.419   0.000   4.987
  154        1.568   3.418   0.000   4.986
  155        1.568   3.420   0.000   4.988
  156        1.568   3.419   0.000   4.987
  157        1.568   3.419   0.000   4.987
  158        1.568   3.420   0.000   4.988
  159        1.568   3.418   0.000   4.986
  160        1.568   3.419   0.000   4.987
--------------------------------------------------
tot        226.903 527.919  98.493 853.315
 


 magnetization (x)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17        0.000   0.000   0.014   0.015
   18       -0.000  -0.000  -0.022  -0.023
   19        0.000   0.000   0.005   0.005
   20        0.000   0.000   0.004   0.004
   21       -0.000  -0.000  -0.025  -0.026
   22       -0.000  -0.000  -0.035  -0.036
   23        0.000   0.000   0.059   0.059
   24        0.000   0.000   0.023   0.023
   25       -0.000  -0.000  -0.026  -0.026
   26       -0.000  -0.000  -0.036  -0.037
   27        0.000   0.000   0.056   0.057
   28        0.000   0.000   0.028   0.029
   29        0.000   0.000   0.009   0.009
   30       -0.000  -0.000  -0.024  -0.025
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.004   0.004
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.001
   35        0.000   0.000   0.000   0.001
   36        0.000   0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38       -0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40        0.000   0.000   0.001   0.001
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000  -0.000  -0.000  -0.001
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.001
   45       -0.000  -0.000  -0.000  -0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48        0.000   0.000   0.000   0.000
   49       -0.000  -0.000  -0.000  -0.000
   50       -0.000  -0.000  -0.000  -0.000
   51        0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58       -0.000  -0.000  -0.000  -0.000
   59        0.000   0.000   0.000   0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65        0.000   0.001   0.000   0.001
   66       -0.000  -0.002   0.000  -0.002
   67        0.000   0.000   0.000   0.000
   68        0.000   0.000   0.000   0.000
   69       -0.000  -0.001   0.000  -0.002
   70        0.000   0.001   0.000   0.001
   71        0.000   0.000   0.000   0.000
   72        0.000   0.000   0.000   0.000
   73        0.000   0.001   0.000   0.001
   74       -0.000  -0.002   0.000  -0.002
   75        0.000   0.000   0.000   0.000
   76        0.000   0.000   0.000   0.000
   77       -0.000  -0.002   0.000  -0.002
   78        0.000   0.001   0.000   0.001
   79        0.000   0.000   0.000   0.000
   80        0.000   0.000   0.000   0.000
   81        0.000   0.001   0.000   0.001
   82       -0.000  -0.001   0.000  -0.001
   83        0.000  -0.000   0.000  -0.000
   84        0.000  -0.000   0.000  -0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.001   0.000   0.001
   87       -0.000  -0.002   0.000  -0.002
   88        0.000   0.000   0.000   0.000
   89       -0.000  -0.002   0.000  -0.002
   90       -0.000  -0.002   0.000  -0.002
   91        0.000   0.004   0.000   0.004
   92        0.000   0.002   0.000   0.002
   93       -0.000  -0.002   0.000  -0.003
   94       -0.000  -0.002   0.000  -0.002
   95        0.000   0.002   0.000   0.002
   96        0.000   0.004   0.000   0.004
   97       -0.000  -0.002   0.000  -0.002
   98       -0.000  -0.002   0.000  -0.002
   99        0.000   0.004   0.000   0.004
  100        0.000   0.002   0.000   0.002
  101       -0.000  -0.002   0.000  -0.002
  102       -0.000  -0.002   0.000  -0.002
  103        0.000   0.004   0.000   0.004
  104        0.000   0.001   0.000   0.002
  105       -0.000  -0.001   0.000  -0.001
  106       -0.000  -0.002   0.000  -0.002
  107        0.000   0.003   0.000   0.003
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.001   0.000  -0.001
  110       -0.000  -0.002   0.000  -0.002
  111        0.000   0.003   0.000   0.003
  112        0.000   0.001   0.000   0.001
  113       -0.000  -0.002   0.000  -0.002
  114       -0.000  -0.003   0.000  -0.003
  115        0.000   0.004   0.000   0.004
  116        0.000   0.002   0.000   0.002
  117       -0.000  -0.002   0.000  -0.002
  118       -0.000  -0.002   0.000  -0.002
  119        0.000   0.004   0.000   0.004
  120        0.000   0.002   0.000   0.002
  121       -0.000  -0.002   0.000  -0.002
  122       -0.000  -0.002   0.000  -0.002
  123        0.000   0.004   0.000   0.004
  124        0.000   0.002   0.000   0.002
  125       -0.000  -0.002   0.000  -0.002
  126       -0.000  -0.002   0.000  -0.002
  127        0.000   0.002   0.000   0.002
  128        0.000   0.004   0.000   0.004
  129       -0.000  -0.002   0.000  -0.002
  130       -0.000  -0.002   0.000  -0.002
  131        0.000   0.003   0.000   0.003
  132        0.000   0.002   0.000   0.002
  133       -0.000  -0.001   0.000  -0.001
  134       -0.000  -0.002   0.000  -0.002
  135        0.000   0.003   0.000   0.003
  136        0.000   0.002   0.000   0.002
  137        0.000   0.001   0.000   0.001
  138       -0.000  -0.002   0.000  -0.002
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141        0.000   0.001   0.000   0.001
  142       -0.000  -0.002   0.000  -0.002
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145        0.000   0.001   0.000   0.001
  146       -0.000  -0.002   0.000  -0.002
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149        0.000   0.001   0.000   0.001
  150       -0.000  -0.002   0.000  -0.002
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153        0.000   0.001   0.000   0.001
  154       -0.000  -0.001   0.000  -0.001
  155        0.000  -0.000   0.000  -0.000
  156        0.000  -0.000   0.000  -0.000
  157        0.000   0.001   0.000   0.001
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.002   0.000  -0.002
  160        0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot          0.001   0.016   0.037   0.053
 


 magnetization (y)
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
    3       -0.000  -0.000   0.000  -0.000
    4       -0.000  -0.000   0.000  -0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13        0.000   0.000   0.000   0.000
   14        0.000   0.000   0.000   0.000
   15       -0.000  -0.000   0.000  -0.000
   16       -0.000  -0.000   0.000  -0.000
   17       -0.000  -0.000  -0.017  -0.017
   18        0.000   0.000   0.000   0.000
   19        0.000   0.000   0.002   0.002
   20        0.000   0.000   0.008   0.008
   21       -0.000  -0.000  -0.002  -0.002
   22       -0.000  -0.000  -0.011  -0.011
   23        0.000   0.000   0.009   0.009
   24        0.000   0.000   0.009   0.009
   25       -0.000  -0.000  -0.001  -0.001
   26       -0.000  -0.000  -0.010  -0.010
   27        0.000   0.000   0.009   0.010
   28        0.000   0.000   0.007   0.007
   29       -0.000  -0.000  -0.010  -0.010
   30       -0.000  -0.000  -0.002  -0.002
   31        0.000   0.000   0.004   0.004
   32        0.000   0.000   0.005   0.005
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000  -0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37       -0.000  -0.000  -0.000  -0.000
   38        0.000  -0.000  -0.000  -0.000
   39        0.000   0.000   0.000   0.000
   40       -0.000   0.000  -0.000  -0.000
   41       -0.000  -0.000  -0.000  -0.000
   42       -0.000   0.000  -0.000  -0.000
   43        0.000   0.000   0.000   0.000
   44        0.000   0.000   0.000   0.000
   45        0.000   0.000   0.000   0.000
   46       -0.000  -0.000  -0.000  -0.000
   47        0.000   0.000   0.000   0.000
   48       -0.000   0.000  -0.000  -0.000
   49       -0.000  -0.000  -0.000  -0.000
   50        0.000  -0.000  -0.000  -0.000
   51       -0.000   0.000   0.000   0.000
   52        0.000   0.000   0.000   0.000
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57       -0.000  -0.000  -0.000  -0.000
   58        0.000  -0.000  -0.000  -0.000
   59       -0.000   0.000  -0.000  -0.000
   60        0.000   0.000   0.000   0.000
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.001   0.000  -0.001
   66       -0.000  -0.000   0.000  -0.000
   67        0.000   0.000   0.000   0.000
   68        0.000   0.001   0.000   0.001
   69       -0.000  -0.000   0.000  -0.000
   70       -0.000  -0.001   0.000  -0.001
   71        0.000   0.001   0.000   0.001
   72        0.000   0.000   0.000   0.000
   73       -0.000  -0.001   0.000  -0.001
   74        0.000   0.000   0.000   0.000
   75        0.000   0.000   0.000   0.000
   76        0.000   0.001   0.000   0.001
   77        0.000   0.000   0.000   0.000
   78       -0.000  -0.001   0.000  -0.001
   79        0.000   0.001   0.000   0.001
   80        0.000   0.000   0.000   0.000
   81       -0.000  -0.001   0.000  -0.001
   82        0.000   0.000   0.000   0.000
   83        0.000   0.000   0.000   0.000
   84        0.000   0.000   0.000   0.000
   85        0.000   0.001   0.000   0.001
   86        0.000   0.000   0.000   0.000
   87       -0.000  -0.000   0.000  -0.000
   88       -0.000  -0.001   0.000  -0.001
   89       -0.000  -0.000   0.000  -0.000
   90       -0.000  -0.001   0.000  -0.001
   91        0.000   0.001   0.000   0.001
   92        0.000   0.001   0.000   0.001
   93       -0.000  -0.001   0.000  -0.001
   94       -0.000  -0.000   0.000  -0.000
   95        0.000   0.001   0.000   0.001
   96        0.000   0.001   0.000   0.001
   97       -0.000  -0.000   0.000  -0.000
   98       -0.000  -0.001   0.000  -0.001
   99        0.000   0.000   0.000   0.001
  100        0.000   0.000   0.000   0.001
  101       -0.000   0.000   0.000   0.000
  102       -0.000  -0.001   0.000  -0.001
  103        0.000   0.000   0.000   0.000
  104        0.000   0.001   0.000   0.001
  105       -0.000  -0.000   0.000  -0.000
  106       -0.000  -0.001   0.000  -0.001
  107        0.000   0.001   0.000   0.001
  108        0.000   0.001   0.000   0.001
  109       -0.000  -0.000   0.000  -0.000
  110       -0.000  -0.001   0.000  -0.001
  111        0.000   0.000   0.000   0.000
  112        0.000   0.000   0.000   0.000
  113       -0.000  -0.000   0.000  -0.000
  114       -0.000  -0.001   0.000  -0.001
  115        0.000   0.001   0.000   0.001
  116        0.000   0.001   0.000   0.001
  117       -0.000  -0.000   0.000  -0.000
  118       -0.000  -0.001   0.000  -0.001
  119        0.000   0.001   0.000   0.001
  120        0.000   0.001   0.000   0.001
  121       -0.000   0.000   0.000   0.000
  122       -0.000  -0.001   0.000  -0.001
  123        0.000   0.000   0.000   0.000
  124        0.000   0.000   0.000   0.000
  125       -0.000  -0.001   0.000  -0.001
  126       -0.000  -0.000   0.000  -0.000
  127        0.000   0.000   0.000   0.000
  128        0.000   0.001   0.000   0.001
  129       -0.000  -0.000   0.000  -0.000
  130       -0.000  -0.001   0.000  -0.001
  131        0.000   0.001   0.000   0.001
  132        0.000   0.000   0.000   0.000
  133       -0.000  -0.000   0.000  -0.000
  134       -0.000  -0.000   0.000  -0.000
  135        0.000   0.000   0.000   0.000
  136        0.000   0.000   0.000   0.000
  137       -0.000  -0.001   0.000  -0.001
  138       -0.000  -0.000   0.000  -0.000
  139        0.000   0.000   0.000   0.000
  140        0.000   0.000   0.000   0.000
  141       -0.000  -0.001   0.000  -0.001
  142       -0.000  -0.000   0.000  -0.000
  143        0.000   0.000   0.000   0.000
  144        0.000   0.000   0.000   0.000
  145       -0.000  -0.001   0.000  -0.001
  146       -0.000  -0.000   0.000  -0.000
  147        0.000   0.000   0.000   0.000
  148        0.000   0.000   0.000   0.000
  149       -0.000  -0.001   0.000  -0.001
  150       -0.000  -0.000   0.000  -0.000
  151        0.000   0.000   0.000   0.000
  152        0.000   0.000   0.000   0.000
  153       -0.000  -0.000   0.000  -0.000
  154        0.000   0.000   0.000   0.000
  155        0.000   0.000   0.000   0.000
  156        0.000   0.000   0.000   0.000
  157        0.000   0.000   0.000   0.000
  158        0.000   0.000   0.000   0.000
  159       -0.000  -0.000   0.000  -0.000
  160       -0.000  -0.001   0.000  -0.001
--------------------------------------------------
tot         -0.000   0.000   0.000   0.000
 


 magnetization (z)
 
# of ion       s       p       d       tot
------------------------------------------
    1       -0.000  -0.000   0.000  -0.000
    2       -0.000  -0.000   0.000  -0.000
    3        0.000   0.000   0.000   0.000
    4        0.000   0.000   0.000   0.000
    5        0.000   0.000   0.000   0.000
    6        0.000   0.000   0.000   0.000
    7       -0.000  -0.000   0.000  -0.000
    8       -0.000  -0.000   0.000  -0.000
    9        0.000   0.000   0.000   0.000
   10        0.000   0.000   0.000   0.000
   11       -0.000  -0.000   0.000  -0.000
   12       -0.000  -0.000   0.000  -0.000
   13       -0.000  -0.000   0.000  -0.000
   14       -0.000  -0.000   0.000  -0.000
   15        0.000   0.000   0.000   0.000
   16        0.000   0.000   0.000   0.000
   17       -0.000  -0.000  -0.055  -0.056
   18       -0.000  -0.000  -0.043  -0.044
   19        0.000   0.000   0.045   0.046
   20        0.000   0.000   0.061   0.062
   21        0.000   0.000   0.038   0.038
   22       -0.000  -0.000  -0.004  -0.004
   23       -0.000  -0.000  -0.016  -0.016
   24       -0.000  -0.000  -0.037  -0.037
   25        0.000   0.000   0.036   0.037
   26       -0.000  -0.000  -0.003  -0.003
   27       -0.000  -0.000  -0.020  -0.020
   28       -0.000  -0.000  -0.029  -0.029
   29       -0.000  -0.000  -0.036  -0.036
   30       -0.000  -0.000  -0.056  -0.056
   31        0.000   0.000   0.034   0.035
   32        0.000   0.000   0.042   0.042
   33       -0.000  -0.000  -0.000  -0.000
   34       -0.000   0.000  -0.000  -0.000
   35        0.000   0.000   0.000   0.000
   36        0.000  -0.000   0.000   0.000
   37        0.000  -0.000   0.000   0.000
   38        0.000   0.000   0.001   0.001
   39       -0.000  -0.000  -0.001  -0.001
   40       -0.000  -0.000  -0.000  -0.001
   41       -0.000  -0.000  -0.000  -0.001
   42       -0.000   0.000  -0.000  -0.000
   43        0.000  -0.000   0.000   0.000
   44        0.000  -0.000   0.000   0.000
   45        0.000  -0.000   0.001   0.001
   46        0.000   0.000   0.000   0.000
   47       -0.000  -0.000  -0.000  -0.001
   48       -0.000  -0.000  -0.001  -0.001
   49        0.000   0.000   0.000   0.001
   50        0.000   0.000   0.000   0.001
   51       -0.000  -0.000  -0.001  -0.001
   52       -0.000  -0.000  -0.000  -0.001
   53       -0.000  -0.000  -0.000  -0.000
   54       -0.000  -0.000  -0.000  -0.000
   55        0.000   0.000   0.000   0.000
   56        0.000   0.000   0.000   0.000
   57        0.000   0.000   0.000   0.001
   58        0.000   0.000   0.000   0.001
   59       -0.000  -0.000  -0.001  -0.001
   60       -0.000  -0.000  -0.000  -0.001
   61       -0.000  -0.000  -0.000  -0.000
   62       -0.000  -0.000  -0.000  -0.000
   63        0.000   0.000   0.000   0.000
   64        0.000   0.000   0.000   0.000
   65       -0.000  -0.003   0.000  -0.003
   66       -0.000  -0.003   0.000  -0.003
   67        0.000   0.003   0.000   0.003
   68        0.000   0.004   0.000   0.004
   69       -0.000  -0.003   0.000  -0.003
   70       -0.000  -0.003   0.000  -0.003
   71        0.000   0.004   0.000   0.004
   72        0.000   0.003   0.000   0.003
   73       -0.000  -0.004   0.000  -0.004
   74       -0.000  -0.003   0.000  -0.003
   75        0.000   0.003   0.000   0.003
   76        0.000   0.004   0.000   0.004
   77       -0.000  -0.003   0.000  -0.003
   78       -0.000  -0.003   0.000  -0.003
   79        0.000   0.004   0.000   0.004
   80        0.000   0.003   0.000   0.003
   81       -0.000  -0.004   0.000  -0.004
   82       -0.000  -0.003   0.000  -0.003
   83        0.000   0.003   0.000   0.003
   84        0.000   0.004   0.000   0.004
   85        0.000   0.003   0.000   0.003
   86        0.000   0.002   0.000   0.002
   87       -0.000  -0.002   0.000  -0.002
   88       -0.000  -0.003   0.000  -0.003
   89        0.000   0.002   0.000   0.002
   90       -0.000  -0.000   0.000  -0.000
   91       -0.000  -0.001   0.000  -0.001
   92       -0.000  -0.003   0.000  -0.003
   93       -0.000  -0.000   0.000  -0.000
   94        0.000   0.002   0.000   0.002
   95       -0.000  -0.002   0.000  -0.002
   96       -0.000  -0.001   0.000  -0.001
   97        0.000   0.002   0.000   0.002
   98       -0.000  -0.000   0.000  -0.000
   99       -0.000  -0.001   0.000  -0.001
  100       -0.000  -0.002   0.000  -0.002
  101        0.000   0.002   0.000   0.002
  102       -0.000  -0.000   0.000  -0.000
  103       -0.000  -0.001   0.000  -0.001
  104       -0.000  -0.002   0.000  -0.002
  105        0.000   0.002   0.000   0.002
  106       -0.000  -0.001   0.000  -0.001
  107       -0.000   0.000   0.000  -0.000
  108       -0.000  -0.001   0.000  -0.001
  109        0.000   0.003   0.000   0.003
  110       -0.000   0.000   0.000   0.000
  111       -0.000  -0.001   0.000  -0.001
  112       -0.000  -0.003   0.000  -0.003
  113        0.000   0.002   0.000   0.002
  114       -0.000  -0.000   0.000  -0.000
  115       -0.000  -0.001   0.000  -0.001
  116       -0.000  -0.002   0.000  -0.002
  117        0.000   0.002   0.000   0.002
  118       -0.000  -0.000   0.000  -0.000
  119       -0.000  -0.001   0.000  -0.001
  120       -0.000  -0.002   0.000  -0.002
  121        0.000   0.002   0.000   0.002
  122       -0.000  -0.000   0.000  -0.000
  123       -0.000  -0.001   0.000  -0.001
  124       -0.000  -0.002   0.000  -0.002
  125       -0.000  -0.000   0.000  -0.000
  126        0.000   0.002   0.000   0.002
  127       -0.000  -0.002   0.000  -0.002
  128       -0.000  -0.001   0.000  -0.001
  129        0.000   0.001   0.000   0.001
  130       -0.000  -0.001   0.000  -0.001
  131       -0.000  -0.000   0.000  -0.000
  132       -0.000  -0.001   0.000  -0.001
  133        0.000   0.003   0.000   0.003
  134       -0.000   0.000   0.000   0.000
  135       -0.000  -0.002   0.000  -0.002
  136       -0.000  -0.002   0.000  -0.002
  137       -0.000  -0.002   0.000  -0.002
  138       -0.000  -0.004   0.000  -0.004
  139        0.000   0.002   0.000   0.002
  140        0.000   0.003   0.000   0.003
  141       -0.000  -0.002   0.000  -0.002
  142       -0.000  -0.003   0.000  -0.004
  143        0.000   0.002   0.000   0.002
  144        0.000   0.003   0.000   0.003
  145       -0.000  -0.002   0.000  -0.002
  146       -0.000  -0.004   0.000  -0.004
  147        0.000   0.002   0.000   0.002
  148        0.000   0.003   0.000   0.003
  149       -0.000  -0.002   0.000  -0.002
  150       -0.000  -0.003   0.000  -0.004
  151        0.000   0.002   0.000   0.002
  152        0.000   0.003   0.000   0.003
  153       -0.000  -0.002   0.000  -0.002
  154       -0.000  -0.003   0.000  -0.003
  155        0.000   0.002   0.000   0.002
  156        0.000   0.003   0.000   0.003
  157        0.000   0.002   0.000   0.002
  158        0.000   0.001   0.000   0.001
  159       -0.000  -0.003   0.000  -0.003
  160       -0.000  -0.002   0.000  -0.002
--------------------------------------------------
tot         -0.001  -0.018  -0.043  -0.062
 

 total amount of memory used by VASP MPI-rank0   189163. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:      27813. kBytes
   fftplans  :       7976. kBytes
   grid      :      34406. kBytes
   one-center:        311. kBytes
   wavefun   :      88657. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     2273.015
                            User time (sec):     2224.860
                          System time (sec):       48.155
                         Elapsed time (sec):     2297.423
  
                   Maximum memory used (kb):     1052464.
                   Average memory used (kb):           0.
  
                          Minor page faults:       142883
                          Major page faults:            1
                 Voluntary context switches:        85857
 
 PROFILE, used timers:     221
 =============================
 
 index                 routine                    time                            calls level
----------------------------------------------------------------------------------------------
    1    total_time                         2297.425236                                1   1
    2      fftbas_plan_mpi                       0.036557                              2   2
    3      brgrid                                0.000794                              1   2
    4      fft3d_mpi                             7.565089                           1021   2
    5        fftbas_plan_mpi                       7.564249                         1021   3
    6          dfftw_execute                         1.373449                       3063   4
    7          map_backward                          2.698683                        828   4
    8            map_gather                            0.418400                      414   5
    9            m_alltoallv_z                         1.986296                      414   5
   10            map_scatter                           0.291383                      414   5
   11          map_forward                           3.440734                       1214   4
   12            map_gather                            0.324987                      699   5
   13            m_alltoallv_z                         2.365149                      699   5
   14            map_scatter                           0.747462                      699   5
   15      rspher_all                            0.048053                              2   2
   16      setdij_                               2.014853                             24   2
   17      phaser                                0.021150                              2   2
   18      rpro_isp                              2.300589                              2   2
   19        fftwav_mpi                            1.090882                         1248   3
   20          fft3d_mpi                             0.755270                       1248   4
   21            fftbas_plan_mpi                       0.754404                     1248   5
   22              dfftw_execute                         0.390925                   3744   6
   23              map_forward                           0.328796                   2496   6
   24                map_gather                            0.027854                 1248   7
   25                m_alltoallv_z                         0.209390                 1248   7
   26                map_scatter                           0.020971                 1248   7
   27        rpromu                                1.205436                          156   3
   28          crrexp_mul_wave                       0.534227                     109824   4
   29          rpromu_gemm                           0.416275                      27456   4
   30      orthch                                3.014962                              1   2
   31        overl                                 0.002043                            2   3
   32        redis_proj                            0.058902                            6   3
   33        redis_pw                              0.144567                            4   3
   34        orth1_distri                          1.360899                           78   3
   35          orth1_nosubindex                      0.862280                         78   4
   36          m_sum_g                               0.491959                         78   4
   37          distri_slice                          0.000297                         78   4
   38        choleski                              0.030684                            2   3
   39          bg_ppotrf_trtri                       0.030337                          2   4
   40        lincom_distri                         1.212250                            2   3
   41          recon_slice                           0.011490                         10   4
   42          m_sum_g                               0.404297                         10   4
   43          lincom_slice                          0.765613                         10   4
   44      redis_pw_over_bands                   0.000001                              1   2
   45      set_dd_paw                            8.315043                             23   2
   46        set_rsgf_all                          0.000023                           23   3
   47      eddav                              1935.610130                             26   2
   48        phaser                                0.061987                           52   3
   49        redis_proj                            6.085491                       203728   3
   50        redis_pw                             38.489558                       160934   3
   51        w1_copy                               4.887260                       177054   3
   52        fftwav_mpi                          228.365861                       203624   3
   53          fft3d_mpi                           175.113023                     203624   4
   54            fftbas_plan_mpi                     174.962655                   203624   5
   55              dfftw_execute                        65.386724                 610872   6
   56              map_forward                         101.486021                 407248   6
   57                map_gather                            4.704412               203624   7
   58                m_alltoallv_z                        79.494921               203624   7
   59                map_scatter                           3.993319               203624   7
   60        eccp                                 24.350719                        16224   3
   61        truncate_high_frequency_w1            0.022892                        75242   3
   62        setup_precond                         0.478534                        16224   3
   63        hamiltmu                            435.050510                        29509   3
   64          vhamil                              178.969515                      59018   4
   65          raccmu_                             170.967346                      29509   4
   66            overl1                                2.711073                    59018   5
   67            racc0mu                             168.118600                    29509   5
   68              gemm                                 77.354332                5193584   6
   69              crrexp_mul_work_add                  59.971308               10387168   6
   70          kinhamil                             84.483291                      59018   4
   71            fftext_mpi                           83.649556                   118036   5
   72              fft3d_mpi                            82.848049                 118036   6
   73                fftbas_plan_mpi                      82.784762               118036   7
   74                  dfftw_execute                        43.172993             354108   8
   75                  map_backward                         36.897265             236072   8
   76                    map_gather                            2.028423           118036   9
   77                    m_alltoallv_z                        33.106364           118036   9
   78                    map_scatter                           1.533988           118036   9
   79        overl                                 1.249426                       101812   3
   80        orth1                               494.618359                        80415   3
   81        apply_precond                         0.892573                        42794   3
   82        w1_projall                          134.992671                        21397   3
   83          rpromu                              134.813309                      21397   4
   84            crrexp_mul_wave                      45.978244                  7531744   5
   85            rpromu_gemm                          69.506316                  3765872   5
   86        orth1_nosubindex                     77.649618                         8112   3
   87        distri_slice                          0.026172                         8112   3
   88        bg_change_diagonale                   0.261608                        64896   3
   89        bg_pdssyex_zheevx                    17.487867                           52   3
   90        lincom_distri                        40.018618                           52   3
   91          recon_slice                           0.281660                        260   4
   92          m_sum_g                              12.452537                        260   4
   93          lincom_slice                         26.514840                        260   4
   94      set_charge                           24.656382                             21   2
   95        soft_charge                          22.490549                           21   3
   96          fftwav_mpi                           14.642853                      25732   4
   97            fft3d_mpi                            13.655985                    25732   5
   98              fftbas_plan_mpi                      13.644101                  25732   6
   99                dfftw_execute                         8.688854                77196   7
  100                map_forward                           4.518341                51464   7
  101                  map_gather                            0.249533              25732   8
  102                  m_alltoallv_z                         3.151975              25732   8
  103                  map_scatter                           0.377755              25732   8
  104          pw_charge                             6.708161                      12866   4
  105          fft3d_mpi                             0.158506                         84   4
  106            fftbas_plan_mpi                       0.158442                       84   5
  107              dfftw_execute                         0.024792                    252   6
  108              map_backward                          0.129655                    168   6
  109                map_gather                            0.023408                  168   7
  110                m_alltoallv_z                         0.100308                  168   7
  111                map_scatter                           0.005499                  168   7
  112        depsum                                0.082032                           21   3
  113        fft3d_mpi                             0.633307                           84   3
  114          fftbas_plan_mpi                       0.633239                         84   4
  115            dfftw_execute                         0.102162                      252   5
  116            map_backward                          0.526021                      168   5
  117              map_gather                            0.048715                     84   6
  118              m_alltoallv_z                         0.416323                     84   6
  119              map_scatter                           0.060503                     84   6
  120      brmix                                 0.689439                             21   2
  121        brpre                                 0.001301                           84   3
  122        setg0                                 0.019165                           25   3
  123        broyd                                 0.106318                           21   3
  124          brsav                                 0.010430                        319   4
  125          brget                                 0.014566                       1233   4
  126      force_and_stress                     31.777051                              1   2
  127        set_charge                            1.204793                            1   3
  128          soft_charge                           1.099961                          1   4
  129            fftwav_mpi                            0.691357                     1234   5
  130              fft3d_mpi                             0.647567                   1234   6
  131                fftbas_plan_mpi                       0.647045                 1234   7
  132                  dfftw_execute                         0.406874               3702   8
  133                  map_forward                           0.219165               2468   8
  134                    map_gather                            0.011926             1234   9
  135                    m_alltoallv_z                         0.153492             1234   9
  136                    map_scatter                           0.018806             1234   9
  137            pw_charge                             0.308588                      617   5
  138            fft3d_mpi                             0.007060                        4   5
  139              fftbas_plan_mpi                       0.007056                      4   6
  140                dfftw_execute                         0.001218                   12   7
  141                map_backward                          0.005657                    8   7
  142                  map_gather                            0.001210                  8   8
  143                  m_alltoallv_z                         0.004187                  8   8
  144                  map_scatter                           0.000233                  8   8
  145          depsum                                0.003331                          1   4
  146          fft3d_mpi                             0.029148                          4   4
  147            fftbas_plan_mpi                       0.029145                        4   5
  148              dfftw_execute                         0.004257                     12   6
  149              map_backward                          0.024663                      8   6
  150                map_gather                            0.003480                    4   7
  151                m_alltoallv_z                         0.018502                    4   7
  152                map_scatter                           0.002667                    4   7
  153        forloc                                0.057325                            1   3
  154        fornlr                                6.905644                            1   3
  155          rspher_all                            0.071991                          3   4
  156          phaser                                0.006752                          6   4
  157          rpro_isp                              6.812054                          6   4
  158            fftwav_mpi                            3.245275                     3744   5
  159              fft3d_mpi                             2.360246                   3744   6
  160                fftbas_plan_mpi                       2.357940                 3744   7
  161                  dfftw_execute                         1.164245              11232   8
  162                  map_forward                           1.087152               7488   8
  163                    map_gather                            0.086141             3744   9
  164                    m_alltoallv_z                         0.727201             3744   9
  165                    map_scatter                           0.056731             3744   9
  166            rpromu                                3.562439                      468   5
  167              crrexp_mul_wave                       1.595551                 329472   6
  168              rpromu_gemm                           1.213203                  82368   6
  169        fordep                                0.473261                            1   3
  170          setdij_                               0.471929                          6   4
  171        setdij_                               1.380137                           20   3
  172        set_dd_paw                            0.374951                            1   3
  173          set_rsgf_all                          0.000000                          1   4
  174        strkin                                0.018235                            1   3
  175        strelo                                0.007099                            1   3
  176        strnlr                               20.709420                            1   3
  177          rspher_all                            0.236102                          9   4
  178          phaser                                0.020509                         18   4
  179          rpro_isp                             20.415605                         18   4
  180            fftwav_mpi                            9.760780                    11232   5
  181              fft3d_mpi                             7.019641                  11232   6
  182                fftbas_plan_mpi                       7.013017                11232   7
  183                  dfftw_execute                         3.482509              33696   8
  184                  map_forward                           3.210776              22464   8
  185                    map_gather                            0.255623            11232   9
  186                    m_alltoallv_z                         2.136663            11232   9
  187                    map_scatter                           0.172195            11232   9
  188            rpromu                               10.640053                     1404   5
  189              crrexp_mul_wave                       4.803448                 988416   6
  190              rpromu_gemm                           3.631226                 247104   6
  191        fft3d_mpi                             0.285581                           36   3
  192          fftbas_plan_mpi                       0.285545                         36   4
  193            dfftw_execute                         0.054416                      108   5
  194            map_forward                           0.111389                       36   5
  195              map_gather                            0.011179                     18   6
  196              m_alltoallv_z                         0.076980                     18   6
  197              map_scatter                           0.023156                     18   6
  198            map_backward                          0.117834                       36   5
  199              map_gather                            0.017046                     18   6
  200              m_alltoallv_z                         0.088377                     18   6
  201              map_scatter                           0.012311                     18   6
  202        forhar                                0.115246                            2   3
  203        strehar                               0.008887                            1   3
  204        chggra                                0.033715                            1   3
  205          fft3d_mpi                             0.023656                          3   4
  206            fftbas_plan_mpi                       0.023654                        3   5
  207              dfftw_execute                         0.003464                      9   6
  208              map_forward                           0.014162                      4   6
  209                map_gather                            0.001492                    2   7
  210                m_alltoallv_z                         0.009515                    2   7
  211                map_scatter                           0.003141                    2   7
  212              map_backward                          0.005818                      2   6
  213                map_gather                            0.000942                    1   7
  214                m_alltoallv_z                         0.004313                    1   7
  215                map_scatter                           0.000560                    1   7
  216        brmix                                 0.051126                            1   3
  217          brpre                                 0.000054                          4   4
  218          setg0                                 0.002157                          1   4
  219          broyd                                 0.010926                          1   4
  220            brget                                 0.001703                      114   5
  221            brsav                                 0.000615                       26   5
 
 Flat profile
 ============
 
             routine name                   CPU           calls
 ---------------------------------------------------------------
 orth1                                 494.618359       80415
 eddav                                 430.620404          26
 total_time                            281.375143           1
 vhamil                                178.969515       59018
 dfftw_execute                         124.256881     1098258
 m_alltoallv_z                         124.049958      366266
 orth1_nosubindex                       78.511898        8190
 gemm                                   77.354332     5193584
 rpromu_gemm                            74.767020     4122800
 crrexp_mul_work_add                    59.971308    10387168
 fftwav_mpi                             58.245276      246814
 crrexp_mul_wave                        52.911470     8959456
 redis_pw                               38.634125      160938
 racc0mu                                30.792960       29509
 lincom_slice                           27.280452         270
 eccp                                   24.350719       16224
 rpromu                                 22.542747       23425
 bg_pdssyex_zheevx                      17.487867          52
 map_forward                            15.004568      494882
 m_sum_g                                13.348793         348
 fftbas_plan_mpi                        11.822797      366088
 set_dd_paw                              8.689970          24
 map_gather                              8.214770      366266
 map_scatter                             7.320678      366266
 pw_charge                               7.016748       13483
 redis_proj                              6.144393      203734
 w1_copy                                 4.887260      177054
 setdij_                                 3.866919          50
 overl1                                  2.711073       59018
 set_charge                              1.522847          22
 overl                                   1.251469      101814
 soft_charge                             1.073985          22
 apply_precond                           0.892573       42794
 kinhamil                                0.833735       59018
 fftext_mpi                              0.801507      118036
 lincom_distri                           0.800431          54
 hamiltmu                                0.630358       29509
 brmix                                   0.600643          22
 setup_precond                           0.478534       16224
 rspher_all                              0.356146          14
 recon_slice                             0.293150         270
 bg_change_diagonale                     0.261608       64896
 fft3d_mpi                               0.236875      366086
 map_backward                            0.232158      237290
 orthch                                  0.205617           1
 w1_projall                              0.179362       21397
 force_and_stress                        0.151631           1
 raccmu_                                 0.137673       29509
 forhar                                  0.115246           2
 phaser                                  0.110397          78
 broyd                                   0.089931          22
 depsum                                  0.085363          22
 forloc                                  0.057325           1
 strnlr                                  0.037205           1
 bg_ppotrf_trtri                         0.030337           2
 distri_slice                            0.026469        8190
 rpro_isp                                0.023383          26
 truncate_high_frequency_w1              0.022892       75242
 setg0                                   0.021322          26
 strkin                                  0.018235           1
 brget                                   0.016268        1347
 fornlr                                  0.014847           1
 brsav                                   0.011045         345
 chggra                                  0.010059           1
 strehar                                 0.008887           1
 strelo                                  0.007099           1
 orth1_distri                            0.006364          78
 brpre                                   0.001355          88
 fordep                                  0.001332           1
 brgrid                                  0.000794           1
 choleski                                0.000347           2
 set_rsgf_all                            0.000023          24
 redis_pw_over_bands                     0.000001           1
 ---------------------------------------------------------------
  summed up times    2297.42523598671     
 
 Accumulative profile
 ====================
 
             routine name                   CPU           calls
 ---------------------------------------------------------------
 total_time                           2297.425236           1
 eddav                                1935.610130          26
 orth1                                 494.618359       80415
 hamiltmu                              435.050510       29509
 fft3d_mpi                             291.102129      366086
 fftbas_plan_mpi                       290.901811      366088
 fftwav_mpi                            257.797009      246814
 vhamil                                178.969515       59018
 raccmu_                               170.967346       29509
 racc0mu                               168.118600       29509
 rpromu                                150.221238       23425
 w1_projall                            134.992671       21397
 dfftw_execute                         124.256881     1098258
 m_alltoallv_z                         124.049958      366266
 map_forward                           114.416537      494882
 kinhamil                               84.483291       59018
 fftext_mpi                             83.649556      118036
 orth1_nosubindex                       78.511898        8190
 gemm                                   77.354332     5193584
 rpromu_gemm                            74.767020     4122800
 crrexp_mul_work_add                    59.971308    10387168
 crrexp_mul_wave                        52.911470     8959456
 lincom_distri                          41.230868          54
 map_backward                           40.405596      237290
 redis_pw                               38.634125      160938
 force_and_stress                       31.777051           1
 rpro_isp                               29.528248          26
 lincom_slice                           27.280452         270
 set_charge                             25.861175          22
 eccp                                   24.350719       16224
 soft_charge                            23.590510          22
 strnlr                                 20.709420           1
 bg_pdssyex_zheevx                      17.487867          52
 m_sum_g                                13.348793         348
 set_dd_paw                              8.689994          24
 map_gather                              8.214770      366266
 map_scatter                             7.320678      366266
 pw_charge                               7.016748       13483
 fornlr                                  6.905644           1
 redis_proj                              6.144393      203734
 w1_copy                                 4.887260      177054
 setdij_                                 3.866919          50
 orthch                                  3.014962           1
 overl1                                  2.711073       59018
 orth1_distri                            1.360899          78
 overl                                   1.251469      101814
 apply_precond                           0.892573       42794
 brmix                                   0.740565          22
 setup_precond                           0.478534       16224
 fordep                                  0.473261           1
 rspher_all                              0.356146          14
 recon_slice                             0.293150         270
 bg_change_diagonale                     0.261608       64896
 broyd                                   0.117244          22
 forhar                                  0.115246           2
 phaser                                  0.110397          78
 depsum                                  0.085363          22
 forloc                                  0.057325           1
 chggra                                  0.033715           1
 choleski                                0.030684           2
 bg_ppotrf_trtri                         0.030337           2
 distri_slice                            0.026469        8190
 truncate_high_frequency_w1              0.022892       75242
 setg0                                   0.021322          26
 strkin                                  0.018235           1
 brget                                   0.016268        1347
 brsav                                   0.011045         345
 strehar                                 0.008887           1
 strelo                                  0.007099           1
 brpre                                   0.001355          88
 brgrid                                  0.000794           1
 set_rsgf_all                            0.000023          24
 redis_pw_over_bands                     0.000001           1
 ---------------------------------------------------------------
 
Profiling took   2.987439  2.908959  0.006949  0.006887 seconds
Profiling took   3.009232 seconds
