 vasp.5.4.1 05Feb16 (build Feb 20 2018 13:01:38) complex                        
  
 executed on        LinuxIFC_ompi date 2018.08.29  08:44:18
 running on  100 total cores
 distrk:  each k-point on  100 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=  10 cores,   10 groups


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


 INCAR:
 POTCAR:    PAW_PBE V_sv 02Aug2007                
 POTCAR:    PAW_PBE Zn 06Sep2000                  
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE O 08Apr2002                   
 POTCAR:    PAW_PBE V_sv 02Aug2007                
   VRHFIN =V: p6 d4 s1                                                          
   LEXCH  = PE                                                                  
   EATOM  =  1952.1149 eV,  143.4764 Ry                                         
                                                                                
   TITEL  = PAW_PBE V_sv 02Aug2007                                              
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   50.941; ZVAL   =   13.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.300; RWIGS  =    1.217    wigner-seitz radius (au A)           
   ENMAX  =  263.673; ENMIN  =  197.755 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  526.568                                                            
   RMAX   =    2.359    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.430    radius for radial grids                                 
   RDEPT  =    1.870    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    8 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -5360.7193   2.0000                                         
     2  0  0.50      -598.4546   2.0000                                         
     2  1  1.50      -499.0155   6.0000                                         
     3  0  0.50       -66.5711   2.0000                                         
     4  0  0.50        -3.8743   1.0000                                         
     3  1  1.50       -40.5282   6.0000                                         
     3  2  2.50        -2.4291   4.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -66.5711413     23  1.800                                             
     0     -3.8742736     23  2.300                                             
     1    -40.5282350     23  2.000                                             
     1      5.4423304     23  2.000                                             
     2     -2.4290848     23  2.300                                             
     2     -1.0472431     23  2.300                                             
     3     -1.3605826     23  2.300                                             
  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 Zn 06Sep2000                  
   VRHFIN =Zn: d10 p2                                                           
   LEXCH  = PE                                                                  
   EATOM  =  1748.8345 eV,  128.5357 Ry                                         
                                                                                
   TITEL  = PAW_PBE Zn 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   65.390; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.400; RWIGS  =    1.270    wigner-seitz radius (au A)           
   ENMAX  =  276.723; ENMIN  =  207.542 eV                                      
   RCLOC  =    1.828    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  575.892                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.347    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.324    radius for radial grids                                 
   RDEPT  =    1.788    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    9 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -9524.6913   2.0000                                         
     2  0  0.50     -1158.1882   2.0000                                         
     2  1  1.50     -1003.8506   6.0000                                         
     3  0  0.50      -129.2194   2.0000                                         
     3  1  1.50       -83.3890   6.0000                                         
     3  2  2.50       -10.1410  10.0000                                         
     4  0  0.50        -5.9785   2.0000                                         
     4  1  0.50        -4.0817   0.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -10.1410010     23  2.300                                             
     2    -11.5015836     23  2.300                                             
     0     -5.9785163     23  2.300                                             
     0      1.1858015     23  2.300                                             
     1     -2.7211652     23  2.300                                             
     1     13.2444212     23  2.300                                             
  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 H 15Jun2001                   
   VRHFIN =H: ultrasoft test                                                    
   LEXCH  = PE                                                                  
   EATOM  =    12.4884 eV,    0.9179 Ry                                         
                                                                                
   TITEL  = PAW_PBE H 15Jun2001                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =    0.700; RWIGS  =    0.370    wigner-seitz radius (au A)           
   ENMAX  =  250.000; ENMIN  =  200.000 eV                                      
   RCLOC  =    0.701    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  400.000                                                            
   RMAX   =    1.123    core radius for proj-oper                               
   RAUG   =    1.200    factor for augmentation sphere                          
   RDEP   =    1.112    radius for radial grids                                 
   RDEPT  =    0.926    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    2 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50        -6.4927   1.0000                                         
     2  1  0.50        -3.4015   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0     -6.4927494     23  1.100                                             
     0      6.8029130     23  1.100                                             
     1     -4.0817478     23  1.100                                             
  local pseudopotential 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 C 08Apr2002                   
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =    0.863    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   =  644.873                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -273.3789   2.0000                                         
     2  0  0.50       -13.7508   2.0000                                         
     2  1  0.50        -5.2854   2.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.7508458     23  1.200                                             
     0     -8.2022199     23  1.200                                             
     1     -5.2854383     23  1.500                                             
     1     34.0145650     23  1.500                                             
     2     -5.4423304      7  1.500                                             
  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
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE O 08Apr2002                   
   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
 

 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: At the moment your POTCAR file does not contain real space       |
|       projectors, and has to be modified,  BUT if you                       |
|      want to do an extremely  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

  PAW_PBE V_sv 02Aug2007                :
 energy of atom  1       EATOM=-1952.1149
 kinetic energy error for atom=    0.0065 (will be added to EATOM!!)
  PAW_PBE Zn 06Sep2000                  :
 energy of atom  2       EATOM=-1748.8345
 kinetic energy error for atom=    0.0029 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  3       EATOM=  -12.4884
 kinetic energy error for atom=    0.0014 (will be added to EATOM!!)
  PAW_PBE C 08Apr2002                   :
 energy of atom  4       EATOM= -147.1560
 kinetic energy error for atom=    0.0071 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  5       EATOM= -432.3788
 kinetic energy error for atom=    0.0208 (will be added to EATOM!!)
 
 
 POSCAR:  V Zn  H  C  O                          
  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 3.2, (02/03/18)

 CHAIN: initializing optimizer
 
 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN            0
 
 POSCAR:  V Zn  H  C  O                          
  positions in direct lattice
  velocities in cartesian coordinates
 


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


 ion  position               nearest neighbor table
   1  0.111  0.296  0.296-  92 1.91  89 1.91  83 1.91  81 1.97
   2  0.889  0.704  0.704- 104 1.91 101 1.91  95 1.91  82 1.97
   3  0.293  0.120  0.294-  84 1.95  93 1.96  87 1.96  81 2.00
   4  0.293  0.294  0.120-  91 1.95  85 1.96  88 1.96  81 2.00
   5  0.293  0.294  0.294-  90 1.95  86 1.96  94 1.96  81 2.00
   6  0.707  0.880  0.706-  96 1.95  99 1.96 105 1.96  82 2.00
   7  0.707  0.706  0.706- 103 1.95  97 1.96 100 1.96  82 2.00
   8  0.707  0.706  0.880- 102 1.95  98 1.96 106 1.96  82 2.00
   9  0.932  0.165  0.451-  33 1.09
  10  0.166  0.929  0.453-  34 1.09
  11  0.452  0.451  0.932-  35 1.09
  12  0.452  0.451  0.165-  36 1.09
  13  0.452  0.932  0.165-  37 1.09
  14  0.452  0.165  0.932-  38 1.09
  15  0.932  0.451  0.451-  39 1.09
  16  0.166  0.453  0.453-  40 1.09
  17  0.166  0.453  0.929-  41 1.09
  18  0.932  0.451  0.165-  42 1.09
  19  0.452  0.932  0.451-  43 1.09
  20  0.452  0.165  0.451-  44 1.09
  21  0.068  0.835  0.549-  45 1.09
  22  0.834  0.071  0.547-  46 1.09
  23  0.548  0.549  0.835-  47 1.09
  24  0.548  0.549  0.068-  48 1.09
  25  0.548  0.068  0.549-  49 1.09
  26  0.548  0.835  0.549-  50 1.09
  27  0.068  0.549  0.835-  51 1.09
  28  0.834  0.547  0.071-  52 1.09
  29  0.834  0.547  0.547-  53 1.09
  30  0.068  0.549  0.549-  54 1.09
  31  0.548  0.068  0.835-  55 1.09
  32  0.548  0.835  0.068-  56 1.09
  33  0.961  0.093  0.473-   9 1.09  46 1.38  58 1.41
  34  0.093  0.959  0.474-  10 1.09  45 1.38  58 1.41
  35  0.474  0.473  0.961-  11 1.09  47 1.39  60 1.40
  36  0.474  0.473  0.092-  12 1.09  48 1.39  60 1.40
  37  0.474  0.961  0.092-  13 1.09  56 1.39  62 1.40
  38  0.474  0.092  0.961-  14 1.09  55 1.39  62 1.40
  39  0.961  0.473  0.473-  15 1.09  53 1.38  64 1.41
  40  0.093  0.474  0.474-  16 1.09  54 1.38  64 1.41
  41  0.093  0.474  0.959-  17 1.09  51 1.38  66 1.41
  42  0.961  0.473  0.093-  18 1.09  52 1.38  66 1.41
  43  0.474  0.961  0.473-  19 1.09  50 1.39  68 1.40
  44  0.474  0.092  0.473-  20 1.09  49 1.39  68 1.40
  45  0.039  0.907  0.527-  21 1.09  34 1.38  70 1.41
  46  0.907  0.041  0.526-  22 1.09  33 1.38  70 1.41
  47  0.526  0.527  0.908-  23 1.09  35 1.39  72 1.40
  48  0.526  0.527  0.039-  24 1.09  36 1.39  72 1.40
  49  0.526  0.039  0.527-  25 1.09  44 1.39  74 1.40
  50  0.526  0.908  0.527-  26 1.09  43 1.39  74 1.40
  51  0.039  0.527  0.907-  27 1.09  41 1.38  76 1.41
  52  0.907  0.526  0.041-  28 1.09  42 1.38  76 1.41
  53  0.907  0.526  0.526-  29 1.09  39 1.38  78 1.41
  54  0.039  0.527  0.527-  30 1.09  40 1.38  78 1.41
  55  0.526  0.039  0.908-  31 1.09  38 1.39  80 1.40
  56  0.526  0.908  0.039-  32 1.09  37 1.39  80 1.40
  57  0.114  0.106  0.390-  84 1.28  83 1.31  58 1.46
  58  0.055  0.053  0.446-  33 1.41  34 1.41  57 1.46
  59  0.390  0.388  0.111-  86 1.28  85 1.28  60 1.49
  60  0.447  0.446  0.054-  35 1.40  36 1.40  59 1.49
  61  0.390  0.111  0.111-  88 1.28  87 1.28  62 1.49
  62  0.447  0.054  0.054-  37 1.40  38 1.40  61 1.49
  63  0.114  0.390  0.390-  90 1.28  89 1.31  64 1.46
  64  0.055  0.446  0.446-  39 1.41  40 1.41  63 1.46
  65  0.114  0.390  0.106-  91 1.28  92 1.31  66 1.46
  66  0.055  0.446  0.053-  42 1.41  41 1.41  65 1.46
  67  0.390  0.111  0.388-  94 1.28  93 1.28  68 1.49
  68  0.447  0.054  0.446-  43 1.40  44 1.40  67 1.49
  69  0.886  0.894  0.610-  96 1.28  95 1.31  70 1.46
  70  0.945  0.947  0.554-  45 1.41  46 1.41  69 1.46
  71  0.610  0.612  0.889-  97 1.28  98 1.28  72 1.49
  72  0.553  0.554  0.946-  48 1.40  47 1.40  71 1.49
  73  0.610  0.889  0.612- 100 1.28  99 1.28  74 1.49
  74  0.553  0.946  0.554-  49 1.40  50 1.40  73 1.49
  75  0.886  0.610  0.894- 102 1.28 101 1.31  76 1.46
  76  0.945  0.554  0.947-  51 1.41  52 1.41  75 1.46
  77  0.886  0.610  0.610- 103 1.28 104 1.31  78 1.46
  78  0.945  0.554  0.554-  54 1.41  53 1.41  77 1.46
  79  0.610  0.889  0.889- 106 1.28 105 1.28  80 1.49
  80  0.553  0.946  0.946-  55 1.40  56 1.40  79 1.49
  81  0.242  0.253  0.253-   1 1.97   4 2.00   5 2.00   3 2.00
  82  0.758  0.747  0.747-   2 1.97   7 2.00   8 2.00   6 2.00
  83  0.076  0.193  0.366-  57 1.31   1 1.91
  84  0.199  0.067  0.367-  57 1.28   3 1.95
  85  0.368  0.365  0.072-  59 1.28   4 1.96
  86  0.368  0.365  0.195-  59 1.28   5 1.96
  87  0.368  0.072  0.195-  61 1.28   3 1.96
  88  0.368  0.195  0.072-  61 1.28   4 1.96
  89  0.076  0.366  0.366-  63 1.31   1 1.91
  90  0.199  0.367  0.367-  63 1.28   5 1.95
  91  0.199  0.367  0.067-  65 1.28   4 1.95
  92  0.076  0.366  0.193-  65 1.31   1 1.91
  93  0.368  0.072  0.365-  67 1.28   3 1.96
  94  0.368  0.195  0.365-  67 1.28   5 1.96
  95  0.924  0.807  0.634-  69 1.31   2 1.91
  96  0.801  0.933  0.633-  69 1.28   6 1.95
  97  0.632  0.635  0.805-  71 1.28   7 1.96
  98  0.632  0.635  0.928-  71 1.28   8 1.96
  99  0.632  0.928  0.635-  73 1.28   6 1.96
 100  0.632  0.805  0.635-  73 1.28   7 1.96
 101  0.924  0.634  0.807-  75 1.31   2 1.91
 102  0.801  0.633  0.933-  75 1.28   8 1.95
 103  0.801  0.633  0.633-  77 1.28   7 1.95
 104  0.924  0.634  0.634-  77 1.31   2 1.91
 105  0.632  0.928  0.805-  79 1.28   6 1.96
 106  0.632  0.805  0.928-  79 1.28   8 1.96
 

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

 
 
 KPOINTS: KPOINTS created by Atomic Simulation Env

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     12 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000
  0.000000  0.250000 -0.000000      8.000000
 -0.000000  0.000000 -0.250000      8.000000
 -0.250000  0.250000  0.250000      8.000000
  0.500000  0.250000 -0.000000      8.000000
  0.500000  0.000000 -0.250000      8.000000
  0.250000 -0.250000  0.250000      8.000000
  0.500000 -0.250000  0.500000      8.000000
  0.500000  0.500000  0.250000      8.000000
 -0.250000 -0.250000  0.250000      8.000000
 -0.000000 -0.250000  0.500000      8.000000
  0.000000  0.500000  0.250000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
 -0.015665  0.005515 -0.000038      8.000000
 -0.007799 -0.005515  0.013585      8.000000
 -0.000022 -0.016607 -0.000038      8.000000
  0.000111  0.016670  0.027285      8.000000
 -0.023574 -0.016670 -0.013739      8.000000
 -0.015798 -0.027762 -0.027362      8.000000
 -0.000067  0.016544 -0.027209      8.000000
 -0.007932  0.027573 -0.040832      8.000000
 -0.031351 -0.005577 -0.000115      8.000000
  0.015709  0.027699  0.000115      8.000000
  0.007843  0.038729 -0.013508      8.000000
 -0.015576  0.005578  0.027209      8.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =     12   k-points in BZ     NKDIM =     12   number of bands    NBANDS=    290
   number of dos      NEDOS =    301   number of ions     NIONS =    106
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  21424
   dimension x,y,z NGX =   140 NGY =  140 NGZ =  140
   dimension x,y,z NGXF=   280 NGYF=  280 NGZF=  280
   support grid    NGXF=   280 NGYF=  280 NGZF=  280
   ions per type =               2   6  24  48  26
 NGX,Y,Z   is equivalent  to a cutoff of  12.68, 12.61, 12.61 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  25.37, 25.22, 25.22 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =   136 NGY =  137 NGZ =  137
 SYSTEM =  unknown system                          
 POSCAR =   V Zn  H  C  O                          

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

 Electronic Relaxation 1
   ENCUT  =  520.0 eV  38.22 Ry    6.18 a.u.  34.12 34.31 34.31*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =    250;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000   0.00000   0.00000
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   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   =      0    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=  -0.770E-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 =  50.94 65.39  1.00 12.01 16.00
  Ionic Valenz
   ZVAL   =  13.00 12.00  1.00  4.00  6.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00  1.00
   NELECT =     470.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.01  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     58    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 =  0.86E-09  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      41.57       280.56
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.776363  1.467113  8.200763  0.602739
  Thomas-Fermi vector in A             =   1.878825
 
 Write flags
   LWAVE  =      T    write 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)


 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

 Exchange correlation treatment:
   GGA     =    PE    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

 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



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


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 preconditioned conjugated gradient                                        
 perform sub-space diagonalisation
    before 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           55
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.01


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


  energy-cutoff  :      520.00
  volume of cell :     4406.85
      direct lattice vectors                 reciprocal lattice vectors
   -15.922298784  0.042409449 -9.123491913    -0.031551123 -0.022310044 -0.054647908
   -15.982315941 -0.000025538  9.227445512    -0.031195678 -0.022058726  0.054340094
   -10.654852281 15.068209145  0.000002789     0.000088748  0.066427641  0.000153899

  length of vectors
    18.351008196 18.454814373 18.454723080     0.066929853  0.066427430  0.066427879


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      520.00
  volume of cell :     4405.43
      direct lattice vectors                 reciprocal lattice vectors
   -15.927121900  0.023616192 -9.156903082    -0.031475652 -0.022256611 -0.054517239
   -15.960622900 -0.000067545  9.214929494    -0.031277450 -0.022116491  0.054345606
   -10.640349870 15.047741395  0.000004135     0.000049258  0.066489987  0.000085804

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: KPOINTS created by Atomic Simulation Env
  -0.01566451  0.00551472 -0.00003848       0.083
  -0.00779892 -0.00551468  0.01358502       0.083
  -0.00002219 -0.01660691 -0.00003847       0.083
   0.00011105  0.01666974  0.02728548       0.083
  -0.02357448 -0.01666970 -0.01373893       0.083
  -0.01579775 -0.02776193 -0.02736243       0.083
  -0.00006667  0.01654408 -0.02720853       0.083
  -0.00793227  0.02757348 -0.04083203       0.083
  -0.03135121 -0.00557747 -0.00011543       0.083
   0.01570889  0.02769910  0.00011543       0.083
   0.00784329  0.03872850 -0.01350807       0.083
  -0.01557565  0.00557755  0.02720852       0.083
 
 k-points in reciprocal lattice and weights: KPOINTS created by Atomic Simulation Env
   0.25000000  0.25000000  0.25000000       0.083
   0.00000000  0.25000000 -0.00000000       0.083
  -0.00000000  0.00000000 -0.25000000       0.083
  -0.25000000  0.25000000  0.25000000       0.083
   0.50000000  0.25000000 -0.00000000       0.083
   0.50000000  0.00000000 -0.25000000       0.083
   0.25000000 -0.25000000  0.25000000       0.083
   0.50000000 -0.25000000  0.50000000       0.083
   0.50000000  0.50000000  0.25000000       0.083
  -0.25000000 -0.25000000  0.25000000       0.083
  -0.00000000 -0.25000000  0.50000000       0.083
   0.00000000  0.50000000  0.25000000       0.083
 
 position of ions in fractional coordinates (direct lattice) 
   0.11057269  0.29647749  0.29647549
   0.88943001  0.70352143  0.70352361
   0.29313131  0.11986144  0.29350493
   0.29313131  0.29350729  0.11985966
   0.29312972  0.29350655  0.29350379
   0.70685474  0.88015093  0.70649551
   0.70685696  0.70649419  0.70649646
   0.70685531  0.70649320  0.88015281
   0.93236448  0.16505853  0.45128887
   0.16570534  0.92871988  0.45278800
   0.45212762  0.45138703  0.93188399
   0.45212785  0.45138677  0.16460063
   0.45212582  0.93188445  0.16460186
   0.45212613  0.16459749  0.93188864
   0.93236751  0.45128315  0.45128632
   0.16570349  0.45279291  0.45278997
   0.16570392  0.45279335  0.92871360
   0.93236835  0.45128375  0.16506232
   0.45212600  0.93188328  0.45138807
   0.45212623  0.16459716  0.45138721
   0.06763708  0.83494333  0.54870926
   0.83429941  0.07127742  0.54721077
   0.54787340  0.54861836  0.83539883
   0.54787377  0.54861798  0.06811034
   0.54787518  0.06811108  0.54861636
   0.54787499  0.83540259  0.54861704
   0.06763380  0.54871429  0.83493971
   0.83430107  0.54720539  0.07128403
   0.83430105  0.54720555  0.54720908
   0.06763428  0.54871459  0.54871196
   0.54787578  0.06811014  0.83539764
   0.54787539  0.83540229  0.06810565
   0.96130254  0.09288694  0.47290539
   0.09312467  0.95897142  0.47395224
   0.47352998  0.47305371  0.96092768
   0.47353084  0.47305414  0.09248865
   0.47352777  0.96093116  0.09248832
   0.47353073  0.09248816  0.96092575
   0.96130668  0.47290114  0.47290324
   0.09312461  0.47395552  0.47395388
   0.09312479  0.47395558  0.95896655
   0.96130681  0.47290171  0.09288872
   0.47352748  0.96093128  0.47305237
   0.47353114  0.09248798  0.47305556
   0.03870187  0.90711800  0.52708974
   0.90687976  0.04103440  0.52604241
   0.52646771  0.52694786  0.90751148
   0.52646871  0.52694832  0.03907176
   0.52647090  0.03906831  0.52694889
   0.52646743  0.90751205  0.52694580
   0.03869826  0.52709341  0.90711620
   0.90688029  0.52603895  0.04103947
   0.90687997  0.52603866  0.52604100
   0.03869792  0.52709364  0.52709220
   0.52647111  0.03906866  0.90751158
   0.52646807  0.90751224  0.03907367
   0.11394022  0.10620001  0.38993086
   0.05535843  0.05263375  0.44600440
   0.38999287  0.38773364  0.11113779
   0.44679458  0.44577040  0.05371747
   0.38998803  0.11114085  0.11113504
   0.44679256  0.05371667  0.05371908
   0.11394438  0.38993055  0.38993214
   0.05536009  0.44600397  0.44600419
   0.11394500  0.38993127  0.10619368
   0.05536084  0.44600442  0.05263170
   0.38998910  0.11114072  0.38773601
   0.44679296  0.05371612  0.44577155
   0.88606416  0.89380682  0.61006297
   0.94464527  0.94737418  0.55398950
   0.61000357  0.61226493  0.88886481
   0.55320362  0.55423026  0.94628309
   0.61000685  0.88886187  0.61226216
   0.55320504  0.94628469  0.55422853
   0.88605920  0.61006386  0.89381368
   0.94464344  0.55398960  0.94737645
   0.88605935  0.61006402  0.61006191
   0.94464370  0.55398963  0.55398999
   0.61000819  0.88886211  0.88886739
   0.55320579  0.94628423  0.94628149
   0.24244851  0.25251801  0.25251666
   0.75752862  0.74748941  0.74749103
   0.07635166  0.19254866  0.36555051
   0.19889812  0.06715828  0.36697340
   0.36793459  0.36513554  0.07187487
   0.36793322  0.36513622  0.19505538
   0.36792793  0.07187632  0.19505719
   0.36792905  0.19505392  0.07187686
   0.07635645  0.36554457  0.36555488
   0.19890248  0.36697538  0.36697035
   0.19890288  0.36697737  0.06715202
   0.07635763  0.36554467  0.19254460
   0.36792919  0.07187519  0.36513864
   0.36793000  0.19505338  0.36513964
   0.92365906  0.80746004  0.63443928
   0.80110125  0.93284797  0.63302287
   0.63206179  0.63486281  0.80494667
   0.63206226  0.63486172  0.92812896
   0.63206558  0.92812870  0.63485999
   0.63206601  0.80494882  0.63485762
   0.92365320  0.63444717  0.80746440
   0.80109684  0.63302021  0.93285479
   0.80109693  0.63302135  0.63302646
   0.92365413  0.63444682  0.63443399
   0.63206814  0.92812773  0.80494497
   0.63206597  0.80494836  0.92812709
 
 position of ions in cartesian coordinates  (Angst):
  -9.65787090  4.47203651  1.72692161
 -32.90161235 10.63854321 -1.62299985
  -9.71023925  4.43502218 -1.56836541
 -10.63533753  1.81849452  0.03394175
 -12.48545295  4.43500051  0.03394982
 -32.84920794 10.67557696  1.67256320
 -30.07381649 10.67559572  0.07013486
 -31.92405714 13.29228587  0.07014125
 -22.29181964  6.83965190 -6.98334996
 -22.30589368  6.82970802  7.05790205
 -24.34220745 14.06098583  0.04016912
 -16.16691610  2.49939969  0.04016258
 -23.84636276  2.49940593  4.47394716
 -19.75867235 14.06106320 -2.60615216
 -26.86637300  6.83960629 -4.34225545
 -14.69946995  6.82974983  2.66632872
 -19.77038003 14.00106666  2.66633022
 -23.81672153  2.52672323 -4.34225838
 -26.90201142  6.82076051  4.47393558
 -14.63899683  6.82076710 -2.60615745
 -20.26768195  8.27091296  7.08730925
 -20.25359254  8.28086663 -6.95401390
 -26.39264706 12.61118524  0.06382975
 -18.21730141  1.04952193  0.06382088
 -15.65743133  8.28989945 -4.37004196
 -27.92053093  8.28989003  2.71010028
 -18.74276995 12.58390049  4.44617710
 -22.78912122  1.10949090 -2.56243098
 -27.86003440  8.28082908 -2.56242802
 -15.69306810  8.27096090  4.44617471
 -18.71303814 12.61117976 -4.37005539
 -22.80075459  1.04944387  2.71009259
 -21.82943162  7.16660319 -7.91332542
 -21.85923424  7.14553634  7.99923570
 -25.33872222 14.49952929  0.04483309
 -16.08565323  1.41370842  0.04482677
 -23.88300555  1.41369092  4.54671341
 -19.25639467 14.49951001 -3.46682161
 -27.90298177  7.16656126 -4.40680288
 -14.10757341  7.14557352  3.52377843
 -19.27531556 14.45384577  3.52377866
 -23.85399439  1.44042312 -4.40679995
 -27.93785635  7.14810952  4.54671823
 -14.05821344  7.14817992 -3.46682837
 -20.73013251  7.94391656  8.01728725
 -20.70033946  7.96497622 -7.89526599
 -26.47382407 13.69688655  0.05916130
 -17.22075040  0.61105531  0.05915401
 -14.62159179  7.96250250 -4.44275083
 -28.50124568  7.96243352  3.57079814
 -18.70552772 13.67024435  4.51066494
 -23.28420905  0.65683819 -3.41991917
 -28.45181912  7.96494268 -3.41991752
 -14.65642639  7.94396320  4.51066914
 -18.67643983 13.69690058 -4.44274841
 -23.30305344  0.61107428  3.57079261
  -7.66616806  5.88038917 -0.05957683
  -6.47475363  6.72283396 -0.01938588
 -13.59062131  1.69117699  0.01969450
 -14.81079202  0.82836307  0.03699546
  -9.16992141  1.69114238 -2.53250620
  -8.54485026  0.82839714 -3.58064044
 -12.20091904  5.88040137  2.55849344
 -12.76174503  6.72282082  3.61040127
  -9.17774917  1.60497101  2.55849356
  -8.57043845  0.79540194  3.61039750
 -12.11707905  5.85902371 -2.53251643
 -12.72210902  6.73592582 -3.58064817
 -34.89341216  9.23011105  0.16355622
 -36.08483384  8.38766730  0.12338168
 -28.96879391 13.41945518  0.08428109
 -27.74866305 14.28223836  0.06698342
 -30.44234549  9.25154161  2.63653357
 -29.83733984  8.37466831  3.68463020
 -33.38178533 13.50573314 -2.45462041
 -33.98908789 14.31531410 -3.50653529
 -30.35845730  9.23010217 -2.45462111
 -29.79761804  8.38768465 -3.50653854
 -33.38955851 13.41948719  2.63652435
 -34.01461078 14.28220433  3.68462024
 -10.58668799  3.81524950  0.11811983
 -31.97261547 11.29545848 -0.01388638
  -8.18795410  5.51142459  1.08013961
  -8.15030755  5.53806541 -1.19494496
 -12.45989220  1.09862021  0.01242019
 -13.77235132  2.95472982  0.01243934
  -9.08531413  2.95476438 -2.69355212
  -9.74152694  1.09865424 -1.55694817
 -10.95295231  5.51148635  2.67640609
 -12.94211614  5.53801191  1.57156118
  -9.74763415  1.02028661  1.57157503
  -9.10957358  2.90453130  2.67639584
 -10.89750874  5.51758722 -2.69357355
 -12.86620506  5.51759914 -1.55696098
 -34.37171392  9.59901508 -0.97620064
 -34.40920954  9.57247139  1.29896480
 -28.78704252 12.15589391  0.09155359
 -30.09952168 14.01203047  0.09153954
 -31.66192250  9.59298494  2.79761355
 -29.69320441  9.59295238  1.66097408
 -33.45003126 12.20619783 -2.57261359
 -32.81186225 14.09040898 -1.46763842
 -29.61725539  9.57253302 -1.46762957
 -31.60642696  9.59893945 -2.57262570
 -33.47417830 12.15586116  2.79758175
 -32.81793930 14.01199817  1.66097092
 


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


 k-point  1 :   0.2500 0.2500 0.2500  plane waves:  118638
 k-point  2 :   0.0000 0.2500-0.0000  plane waves:  118638
 k-point  3 :  -0.0000 0.0000-0.2500  plane waves:  118638
 k-point  4 :  -0.2500 0.2500 0.2500  plane waves:  118699
 k-point  5 :   0.5000 0.2500-0.0000  plane waves:  118699
 k-point  6 :   0.5000 0.0000-0.2500  plane waves:  118699
 k-point  7 :   0.2500-0.2500 0.2500  plane waves:  118674
 k-point  8 :   0.5000-0.2500 0.5000  plane waves:  118674
 k-point  9 :   0.5000 0.5000 0.2500  plane waves:  118674
 k-point 10 :  -0.2500-0.2500 0.2500  plane waves:  118674
 k-point 11 :  -0.0000-0.2500 0.5000  plane waves:  118674
 k-point 12 :   0.0000 0.5000 0.2500  plane waves:  118674

 maximum and minimum number of plane-waves per node :     11945    11788

 maximum number of plane-waves:    118699
 maximum index in each direction: 
   IXMAX=   34   IYMAX=   34   IZMAX=   34
   IXMIN=  -34   IYMIN=  -34   IZMIN=  -34

 NGX is ok and might be reduce to 138
 NGY is ok and might be reduce to 138
 NGZ is ok and might be reduce to 138

 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 on root node   616830. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :     122998. kBytes
   fftplans  :      15971. kBytes
   grid      :      46623. kBytes
   one-center:        342. kBytes
   wavefun   :     400896. kBytes
 
     INWAV:  cpu time   50.5280: real time   50.9322
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 69   NGY = 69   NGZ = 69
  (NGX  =280   NGY  =280   NGZ  =280)
  gives a total of 328509 points

 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for augmentation-charges          751 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.108
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.0060: real time    0.0060


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


    POTLOK:  cpu time    0.7493: real time    0.7531
    SETDIJ:  cpu time    0.0288: real time    0.0326
    TRIAL :  cpu time   68.9355: real time   69.0528
    CORREC:  cpu time   23.7374: real time   23.8153
    CHARGE:  cpu time    7.2701: real time    7.2872
    --------------------------------------------
      LOOP:  cpu time  100.8576: real time  101.0956

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7353462E+03  (-0.2356648E-02)
 number of electron     469.9999994 magnetization       6.0000001
 augmentation part       80.0782747 magnetization       2.5630531

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       280.03878088
  Ewald energy   TEWEN  =     33059.63040579
  -Hartree energ DENC   =    -61840.23336800
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1947.22597230
  PAW double counting   =     46632.83985933   -47826.58916053
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5989.60690667
  atomic energy  EATOM  =     33001.34824667
  ---------------------------------------------------
  free energy    TOTEN  =      -735.34617022 eV

  energy without entropy =     -735.34617022  energy(sigma->0) =     -735.34617022


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




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


    POTLOK:  cpu time    0.7908: real time    0.7921
    SETDIJ:  cpu time    0.0255: real time    0.0255
    TRIAL :  cpu time   68.9209: real time   69.0067
    CORREC:  cpu time   23.7490: real time   23.8456
    CHARGE:  cpu time    7.2206: real time    7.2610
    --------------------------------------------
      LOOP:  cpu time  100.7077: real time  100.9321

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2356507E-02  (-0.1013812E-04)
 number of electron     469.9999994 magnetization       6.0000001
 augmentation part       80.0782262 magnetization       2.5630465

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       280.03878088
  Ewald energy   TEWEN  =     33059.63040579
  -Hartree energ DENC   =    -61840.28272524
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1947.22788296
  PAW double counting   =     46631.18408877   -47824.93612641
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5989.55908015
  atomic energy  EATOM  =     33001.34824667
  ---------------------------------------------------
  free energy    TOTEN  =      -735.34852672 eV

  energy without entropy =     -735.34852672  energy(sigma->0) =     -735.34852672


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




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


    POTLOK:  cpu time    0.7404: real time    0.7413
    SETDIJ:  cpu time    0.0258: real time    0.0259
    TRIAL :  cpu time   69.2108: real time   69.4901
    CORREC:  cpu time   23.8949: real time   23.9434
    CHARGE:  cpu time    7.2460: real time    7.2618
    --------------------------------------------
      LOOP:  cpu time  101.1189: real time  101.4674

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1009343E-04  (-0.1163497E-05)
 number of electron     469.9999994 magnetization       6.0000001
 augmentation part       80.0781837 magnetization       2.5630403

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       280.03878088
  Ewald energy   TEWEN  =     33059.63040579
  -Hartree energ DENC   =    -61840.27058599
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1947.22748720
  PAW double counting   =     46631.16330720   -47824.91455422
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5989.57162435
  atomic energy  EATOM  =     33001.34824667
  ---------------------------------------------------
  free energy    TOTEN  =      -735.34853682 eV

  energy without entropy =     -735.34853682  energy(sigma->0) =     -735.34853682


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




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


    POTLOK:  cpu time    0.7459: real time    0.7472
    SETDIJ:  cpu time    0.0263: real time    0.0264
    TRIAL :  cpu time   68.9614: real time   69.1074
    CORREC:  cpu time   23.7732: real time   23.8364
    CHARGE:  cpu time    7.2382: real time    7.2575
    --------------------------------------------
      LOOP:  cpu time  100.7461: real time  100.9976

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1133703E-05  (-0.4461244E-06)
 number of electron     469.9999994 magnetization       6.0000001
 augmentation part       80.0781337 magnetization       2.5630348

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       280.03878088
  Ewald energy   TEWEN  =     33059.63040579
  -Hartree energ DENC   =    -61840.25862353
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1947.22709557
  PAW double counting   =     46631.14602421   -47824.89647731
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5989.58399024
  atomic energy  EATOM  =     33001.34824667
  ---------------------------------------------------
  free energy    TOTEN  =      -735.34853795 eV

  energy without entropy =     -735.34853795  energy(sigma->0) =     -735.34853795


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




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


    POTLOK:  cpu time    0.7467: real time    0.7476
    SETDIJ:  cpu time    0.0262: real time    0.0263
    TRIAL :  cpu time   69.0838: real time   69.2374
    CORREC:  cpu time   23.7050: real time   23.7473
    CHARGE:  cpu time    7.2348: real time    7.2584
    --------------------------------------------
      LOOP:  cpu time  100.7974: real time  101.0178

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4350222E-06  (-0.2354536E-06)
 number of electron     469.9999994 magnetization       6.0000001
 augmentation part       80.0781234 magnetization       2.5630397

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       280.03878088
  Ewald energy   TEWEN  =     33059.63040579
  -Hartree energ DENC   =    -61840.24273147
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1947.22655576
  PAW double counting   =     46631.11242722   -47824.86175438
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5989.60046887
  atomic energy  EATOM  =     33001.34824667
  ---------------------------------------------------
  free energy    TOTEN  =      -735.34853839 eV

  energy without entropy =     -735.34853839  energy(sigma->0) =     -735.34853839


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


  average scaling for gradient   0.9562


 average (electrostatic) potential at core
  the test charge radii are     0.9956  0.9521  0.5201  0.6991  0.7215
  (the norm of the test charge is              1.0000)
       1 -83.1552       2 -83.1589       3 -41.8141       4 -41.8145       5 -41.8146
       6 -41.8140       7 -41.8146       8 -41.8145       9 -40.7902      10 -40.7090
      11 -40.9149      12 -40.9151      13 -40.9145      14 -40.9153      15 -40.7897
      16 -40.7090      17 -40.7090      18 -40.7898      19 -40.9145      20 -40.9154
      21 -40.7901      22 -40.7091      23 -40.9151      24 -40.9150      25 -40.9145
      26 -40.9154      27 -40.7897      28 -40.7091      29 -40.7092      30 -40.7896
      31 -40.9145      32 -40.9153      33 -57.5875      34 -57.5482      35 -57.8030
      36 -57.8030      37 -57.8028      38 -57.8028      39 -57.5872      40 -57.5479
      41 -57.5480      42 -57.5873      43 -57.8028      44 -57.8028      45 -57.5876
      46 -57.5482      47 -57.8030      48 -57.8030      49 -57.8028      50 -57.8028
      51 -57.5874      52 -57.5479      53 -57.5479      54 -57.5874      55 -57.8027
      56 -57.8028      57 -60.5013      58 -57.8494      59 -60.7583      60 -58.1202
      61 -60.7580      62 -58.1199      63 -60.5009      64 -57.8491      65 -60.5010
      66 -57.8492      67 -60.7581      68 -58.1200      69 -60.5015      70 -57.8496
      71 -60.7585      72 -58.1201      73 -60.7582      74 -58.1199      75 -60.5013
      76 -57.8493      77 -60.5012      78 -57.8492      79 -60.7582      80 -58.1198
      81 -79.1699      82 -79.1694      83 -79.7139      84 -79.3698      85 -79.5067
      86 -79.5069      87 -79.5060      88 -79.5070      89 -79.7136      90 -79.3698
      91 -79.3697      92 -79.7137      93 -79.5060      94 -79.5072      95 -79.7144
      96 -79.3694      97 -79.5071      98 -79.5069      99 -79.5062     100 -79.5074
     101 -79.7142     102 -79.3695     103 -79.3696     104 -79.7141     105 -79.5062
     106 -79.5072
 
 
 
 E-fermi :  -2.0347     XC(G=0):  -3.0088     alpha+bet : -1.9522


 spin component 1

 k-point     1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9758      1.00000
     11     -25.9476      1.00000
     12     -25.9471      1.00000
     13     -25.9454      1.00000
     14     -25.9452      1.00000
     15     -25.8288      1.00000
     16     -25.8272      1.00000
     17     -25.7931      1.00000
     18     -25.7927      1.00000
     19     -25.7911      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7530      1.00000
     23     -23.7525      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7083      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5501      1.00000
     30     -23.5499      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3740      1.00000
     36     -20.3723      1.00000
     37     -20.3722      1.00000
     38     -20.1331      1.00000
     39     -20.1313      1.00000
     40     -20.1311      1.00000
     41     -18.0641      1.00000
     42     -18.0538      1.00000
     43     -18.0520      1.00000
     44     -17.9403      1.00000
     45     -17.9313      1.00000
     46     -17.9300      1.00000
     47     -17.4520      1.00000
     48     -17.4516      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4671      1.00000
     54     -15.4228      1.00000
     55     -15.4114      1.00000
     56     -15.3826      1.00000
     57     -15.3490      1.00000
     58     -15.3462      1.00000
     59     -13.9532      1.00000
     60     -13.9510      1.00000
     61     -13.9407      1.00000
     62     -13.7282      1.00000
     63     -13.7187      1.00000
     64     -13.7171      1.00000
     65     -13.5812      1.00000
     66     -13.4572      1.00000
     67     -13.4162      1.00000
     68     -13.3855      1.00000
     69     -13.3305      1.00000
     70     -13.3257      1.00000
     71     -12.6965      1.00000
     72     -12.6421      1.00000
     73     -12.6313      1.00000
     74     -12.5291      1.00000
     75     -12.5010      1.00000
     76     -12.4979      1.00000
     77     -11.8835      1.00000
     78     -11.8697      1.00000
     79     -11.7954      1.00000
     80     -11.7598      1.00000
     81     -11.7502      1.00000
     82     -11.7306      1.00000
     83     -11.7112      1.00000
     84     -11.6850      1.00000
     85     -11.6673      1.00000
     86     -11.6626      1.00000
     87     -11.6040      1.00000
     88     -11.5768      1.00000
     89     -11.5676      1.00000
     90     -11.5325      1.00000
     91     -11.4039      1.00000
     92     -11.3694      1.00000
     93     -11.2634      1.00000
     94     -11.2517      1.00000
     95     -10.8327      1.00000
     96     -10.8276      1.00000
     97     -10.8247      1.00000
     98     -10.8120      1.00000
     99     -10.7925      1.00000
    100     -10.7912      1.00000
    101     -10.2074      1.00000
    102     -10.1730      1.00000
    103     -10.1366      1.00000
    104     -10.1317      1.00000
    105     -10.1225      1.00000
    106     -10.1187      1.00000
    107     -10.0987      1.00000
    108     -10.0918      1.00000
    109     -10.0596      1.00000
    110     -10.0559      1.00000
    111      -9.9296      1.00000
    112      -9.9230      1.00000
    113      -9.9164      1.00000
    114      -9.8683      1.00000
    115      -9.8614      1.00000
    116      -9.8422      1.00000
    117      -9.8359      1.00000
    118      -9.8252      1.00000
    119      -9.8204      1.00000
    120      -9.7964      1.00000
    121      -9.7678      1.00000
    122      -9.7576      1.00000
    123      -9.7317      1.00000
    124      -9.7125      1.00000
    125      -9.6218      1.00000
    126      -9.6198      1.00000
    127      -9.6080      1.00000
    128      -9.5244      1.00000
    129      -9.5146      1.00000
    130      -9.4540      1.00000
    131      -9.4422      1.00000
    132      -9.4289      1.00000
    133      -9.3558      1.00000
    134      -9.3395      1.00000
    135      -9.2602      1.00000
    136      -9.2244      1.00000
    137      -9.2150      1.00000
    138      -9.2039      1.00000
    139      -9.1776      1.00000
    140      -9.1615      1.00000
    141      -9.1520      1.00000
    142      -9.1426      1.00000
    143      -9.1384      1.00000
    144      -9.1241      1.00000
    145      -9.0861      1.00000
    146      -8.9905      1.00000
    147      -8.9754      1.00000
    148      -8.9728      1.00000
    149      -8.8477      1.00000
    150      -8.8399      1.00000
    151      -8.8367      1.00000
    152      -8.7811      1.00000
    153      -8.7716      1.00000
    154      -8.7332      1.00000
    155      -8.5091      1.00000
    156      -8.5047      1.00000
    157      -8.4343      1.00000
    158      -8.4290      1.00000
    159      -8.3923      1.00000
    160      -8.3909      1.00000
    161      -8.3405      1.00000
    162      -8.3068      1.00000
    163      -8.2539      1.00000
    164      -8.2471      1.00000
    165      -8.2265      1.00000
    166      -8.1942      1.00000
    167      -7.9352      1.00000
    168      -7.9147      1.00000
    169      -7.9013      1.00000
    170      -7.8111      1.00000
    171      -7.7980      1.00000
    172      -7.7867      1.00000
    173      -7.7376      1.00000
    174      -7.7310      1.00000
    175      -7.6704      1.00000
    176      -7.6642      1.00000
    177      -7.6353      1.00000
    178      -7.6285      1.00000
    179      -7.0934      1.00000
    180      -7.0898      1.00000
    181      -7.0704      1.00000
    182      -6.9558      1.00000
    183      -6.9451      1.00000
    184      -6.8927      1.00000
    185      -6.8900      1.00000
    186      -6.8611      1.00000
    187      -6.7784      1.00000
    188      -6.7726      1.00000
    189      -6.7385      1.00000
    190      -6.7330      1.00000
    191      -6.6397      1.00000
    192      -6.6393      1.00000
    193      -6.6319      1.00000
    194      -6.6314      1.00000
    195      -6.3803      1.00000
    196      -6.3710      1.00000
    197      -6.2310      1.00000
    198      -6.2274      1.00000
    199      -6.2258      1.00000
    200      -6.2191      1.00000
    201      -6.2165      1.00000
    202      -6.2029      1.00000
    203      -6.2002      1.00000
    204      -6.1962      1.00000
    205      -5.8700      1.00000
    206      -5.8683      1.00000
    207      -5.8505      1.00000
    208      -5.8084      1.00000
    209      -5.8052      1.00000
    210      -5.7775      1.00000
    211      -5.7367      1.00000
    212      -5.7094      1.00000
    213      -5.6793      1.00000
    214      -5.6709      1.00000
    215      -5.6695      1.00000
    216      -5.6490      1.00000
    217      -5.6449      1.00000
    218      -5.6099      1.00000
    219      -5.6054      1.00000
    220      -5.5795      1.00000
    221      -5.4233      1.00000
    222      -5.4228      1.00000
    223      -5.4160      1.00000
    224      -5.3357      1.00000
    225      -5.3352      1.00000
    226      -5.3350      1.00000
    227      -5.3163      1.00000
    228      -5.3119      1.00000
    229      -5.2791      1.00000
    230      -5.1843      1.00000
    231      -5.1842      1.00000
    232      -5.1840      1.00000
    233      -2.7356      1.00000
    234      -2.7175      1.00000
    235      -2.6210      1.00000
    236      -2.6058      1.00000
    237      -2.1292      1.00000
    238      -2.1120      1.00000
    239      -1.9063      0.00000
    240      -1.7245      0.00000
    241      -1.6529      0.00000
    242      -1.6334      0.00000
    243      -1.6318      0.00000
    244      -1.5037      0.00000
    245      -1.1098      0.00000
    246      -1.0547      0.00000
    247      -1.0142      0.00000
    248      -0.9990      0.00000
    249      -0.2511      0.00000
    250      -0.1723      0.00000
    251      -0.1710      0.00000
    252      -0.1691      0.00000
    253      -0.1585      0.00000
    254       0.0164      0.00000
    255       0.0428      0.00000
    256       0.0464      0.00000
    257       0.0566      0.00000
    258       0.1077      0.00000
    259       0.1147      0.00000
    260       0.1275      0.00000
    261       0.2987      0.00000
    262       0.3046      0.00000
    263       0.7071      0.00000
    264       0.8681      0.00000
    265       0.9328      0.00000
    266       0.9379      0.00000
    267       1.0059      0.00000
    268       1.0604      0.00000
    269       1.1669      0.00000
    270       1.3754      0.00000
    271       1.3807      0.00000
    272       1.3836      0.00000
    273       1.4862      0.00000
    274       1.5834      0.00000
    275       1.5932      0.00000
    276       1.6094      0.00000
    277       1.6967      0.00000
    278       1.7311      0.00000
    279       1.7502      0.00000
    280       1.8272      0.00000
    281       1.9032      0.00000
    282       1.9117      0.00000
    283       1.9247      0.00000
    284       1.9786      0.00000
    285       2.0104      0.00000
    286       2.0108      0.00000
    287       2.0632      0.00000
    288       2.0885      0.00000
    289       2.0936      0.00000
    290       2.1724      0.00000

 k-point     2 :       0.0000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9758      1.00000
     11     -25.9475      1.00000
     12     -25.9472      1.00000
     13     -25.9455      1.00000
     14     -25.9451      1.00000
     15     -25.8288      1.00000
     16     -25.8272      1.00000
     17     -25.7930      1.00000
     18     -25.7928      1.00000
     19     -25.7912      1.00000
     20     -25.7907      1.00000
     21     -23.7531      1.00000
     22     -23.7531      1.00000
     23     -23.7526      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7083      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5500      1.00000
     30     -23.5499      1.00000
     31     -23.5496      1.00000
     32     -23.5494      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3739      1.00000
     36     -20.3725      1.00000
     37     -20.3720      1.00000
     38     -20.1331      1.00000
     39     -20.1314      1.00000
     40     -20.1310      1.00000
     41     -18.0641      1.00000
     42     -18.0539      1.00000
     43     -18.0519      1.00000
     44     -17.9403      1.00000
     45     -17.9314      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4518      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4671      1.00000
     54     -15.4228      1.00000
     55     -15.4114      1.00000
     56     -15.3826      1.00000
     57     -15.3493      1.00000
     58     -15.3460      1.00000
     59     -13.9531      1.00000
     60     -13.9511      1.00000
     61     -13.9406      1.00000
     62     -13.7281      1.00000
     63     -13.7188      1.00000
     64     -13.7170      1.00000
     65     -13.5812      1.00000
     66     -13.4572      1.00000
     67     -13.4161      1.00000
     68     -13.3855      1.00000
     69     -13.3304      1.00000
     70     -13.3258      1.00000
     71     -12.6965      1.00000
     72     -12.6423      1.00000
     73     -12.6311      1.00000
     74     -12.5291      1.00000
     75     -12.5011      1.00000
     76     -12.4978      1.00000
     77     -11.8834      1.00000
     78     -11.8699      1.00000
     79     -11.7953      1.00000
     80     -11.7599      1.00000
     81     -11.7502      1.00000
     82     -11.7306      1.00000
     83     -11.7112      1.00000
     84     -11.6849      1.00000
     85     -11.6672      1.00000
     86     -11.6627      1.00000
     87     -11.6039      1.00000
     88     -11.5768      1.00000
     89     -11.5676      1.00000
     90     -11.5325      1.00000
     91     -11.4039      1.00000
     92     -11.3694      1.00000
     93     -11.2634      1.00000
     94     -11.2517      1.00000
     95     -10.8326      1.00000
     96     -10.8278      1.00000
     97     -10.8245      1.00000
     98     -10.8120      1.00000
     99     -10.7925      1.00000
    100     -10.7912      1.00000
    101     -10.2074      1.00000
    102     -10.1730      1.00000
    103     -10.1366      1.00000
    104     -10.1317      1.00000
    105     -10.1225      1.00000
    106     -10.1188      1.00000
    107     -10.0987      1.00000
    108     -10.0918      1.00000
    109     -10.0597      1.00000
    110     -10.0559      1.00000
    111      -9.9297      1.00000
    112      -9.9229      1.00000
    113      -9.9163      1.00000
    114      -9.8682      1.00000
    115      -9.8614      1.00000
    116      -9.8422      1.00000
    117      -9.8360      1.00000
    118      -9.8253      1.00000
    119      -9.8203      1.00000
    120      -9.7964      1.00000
    121      -9.7678      1.00000
    122      -9.7575      1.00000
    123      -9.7317      1.00000
    124      -9.7125      1.00000
    125      -9.6216      1.00000
    126      -9.6199      1.00000
    127      -9.6080      1.00000
    128      -9.5244      1.00000
    129      -9.5147      1.00000
    130      -9.4539      1.00000
    131      -9.4422      1.00000
    132      -9.4289      1.00000
    133      -9.3558      1.00000
    134      -9.3396      1.00000
    135      -9.2602      1.00000
    136      -9.2244      1.00000
    137      -9.2150      1.00000
    138      -9.2038      1.00000
    139      -9.1777      1.00000
    140      -9.1614      1.00000
    141      -9.1520      1.00000
    142      -9.1428      1.00000
    143      -9.1385      1.00000
    144      -9.1241      1.00000
    145      -9.0861      1.00000
    146      -8.9904      1.00000
    147      -8.9755      1.00000
    148      -8.9727      1.00000
    149      -8.8478      1.00000
    150      -8.8400      1.00000
    151      -8.8365      1.00000
    152      -8.7810      1.00000
    153      -8.7717      1.00000
    154      -8.7332      1.00000
    155      -8.5092      1.00000
    156      -8.5046      1.00000
    157      -8.4343      1.00000
    158      -8.4290      1.00000
    159      -8.3922      1.00000
    160      -8.3909      1.00000
    161      -8.3405      1.00000
    162      -8.3068      1.00000
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    165      -8.2267      1.00000
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    167      -7.9352      1.00000
    168      -7.9147      1.00000
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    170      -7.8111      1.00000
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    175      -7.6705      1.00000
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    177      -7.6353      1.00000
    178      -7.6285      1.00000
    179      -7.0934      1.00000
    180      -7.0899      1.00000
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    182      -6.9558      1.00000
    183      -6.9451      1.00000
    184      -6.8927      1.00000
    185      -6.8901      1.00000
    186      -6.8611      1.00000
    187      -6.7783      1.00000
    188      -6.7726      1.00000
    189      -6.7386      1.00000
    190      -6.7330      1.00000
    191      -6.6398      1.00000
    192      -6.6393      1.00000
    193      -6.6318      1.00000
    194      -6.6315      1.00000
    195      -6.3803      1.00000
    196      -6.3710      1.00000
    197      -6.2310      1.00000
    198      -6.2274      1.00000
    199      -6.2258      1.00000
    200      -6.2191      1.00000
    201      -6.2165      1.00000
    202      -6.2029      1.00000
    203      -6.2001      1.00000
    204      -6.1962      1.00000
    205      -5.8698      1.00000
    206      -5.8685      1.00000
    207      -5.8505      1.00000
    208      -5.8081      1.00000
    209      -5.8055      1.00000
    210      -5.7775      1.00000
    211      -5.7367      1.00000
    212      -5.7094      1.00000
    213      -5.6793      1.00000
    214      -5.6710      1.00000
    215      -5.6694      1.00000
    216      -5.6489      1.00000
    217      -5.6450      1.00000
    218      -5.6096      1.00000
    219      -5.6056      1.00000
    220      -5.5795      1.00000
    221      -5.4232      1.00000
    222      -5.4229      1.00000
    223      -5.4160      1.00000
    224      -5.3357      1.00000
    225      -5.3352      1.00000
    226      -5.3350      1.00000
    227      -5.3163      1.00000
    228      -5.3120      1.00000
    229      -5.2791      1.00000
    230      -5.1844      1.00000
    231      -5.1841      1.00000
    232      -5.1840      1.00000
    233      -2.7356      1.00000
    234      -2.7174      1.00000
    235      -2.6209      1.00000
    236      -2.6058      1.00000
    237      -2.1291      1.00000
    238      -2.1121      1.00000
    239      -1.9064      0.00000
    240      -1.7244      0.00000
    241      -1.6531      0.00000
    242      -1.6332      0.00000
    243      -1.6318      0.00000
    244      -1.5038      0.00000
    245      -1.1099      0.00000
    246      -1.0547      0.00000
    247      -1.0142      0.00000
    248      -0.9990      0.00000
    249      -0.2511      0.00000
    250      -0.1723      0.00000
    251      -0.1709      0.00000
    252      -0.1692      0.00000
    253      -0.1584      0.00000
    254       0.0164      0.00000
    255       0.0427      0.00000
    256       0.0465      0.00000
    257       0.0566      0.00000
    258       0.1078      0.00000
    259       0.1145      0.00000
    260       0.1277      0.00000
    261       0.2988      0.00000
    262       0.3045      0.00000
    263       0.7072      0.00000
    264       0.8683      0.00000
    265       0.9326      0.00000
    266       0.9379      0.00000
    267       1.0059      0.00000
    268       1.0601      0.00000
    269       1.1673      0.00000
    270       1.3751      0.00000
    271       1.3810      0.00000
    272       1.3837      0.00000
    273       1.4863      0.00000
    274       1.5833      0.00000
    275       1.5932      0.00000
    276       1.6095      0.00000
    277       1.6971      0.00000
    278       1.7308      0.00000
    279       1.7501      0.00000
    280       1.8272      0.00000
    281       1.9032      0.00000
    282       1.9115      0.00000
    283       1.9247      0.00000
    284       1.9789      0.00000
    285       2.0102      0.00000
    286       2.0109      0.00000
    287       2.0631      0.00000
    288       2.0887      0.00000
    289       2.0935      0.00000
    290       2.1725      0.00000

 k-point     3 :      -0.0000    0.0000   -0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9758      1.00000
     11     -25.9475      1.00000
     12     -25.9472      1.00000
     13     -25.9454      1.00000
     14     -25.9451      1.00000
     15     -25.8288      1.00000
     16     -25.8272      1.00000
     17     -25.7931      1.00000
     18     -25.7927      1.00000
     19     -25.7911      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7530      1.00000
     23     -23.7525      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7083      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5501      1.00000
     30     -23.5499      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3740      1.00000
     36     -20.3724      1.00000
     37     -20.3721      1.00000
     38     -20.1331      1.00000
     39     -20.1313      1.00000
     40     -20.1311      1.00000
     41     -18.0641      1.00000
     42     -18.0538      1.00000
     43     -18.0520      1.00000
     44     -17.9403      1.00000
     45     -17.9313      1.00000
     46     -17.9300      1.00000
     47     -17.4519      1.00000
     48     -17.4517      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4671      1.00000
     54     -15.4227      1.00000
     55     -15.4114      1.00000
     56     -15.3826      1.00000
     57     -15.3491      1.00000
     58     -15.3462      1.00000
     59     -13.9532      1.00000
     60     -13.9510      1.00000
     61     -13.9406      1.00000
     62     -13.7282      1.00000
     63     -13.7187      1.00000
     64     -13.7171      1.00000
     65     -13.5812      1.00000
     66     -13.4572      1.00000
     67     -13.4162      1.00000
     68     -13.3855      1.00000
     69     -13.3304      1.00000
     70     -13.3257      1.00000
     71     -12.6965      1.00000
     72     -12.6422      1.00000
     73     -12.6312      1.00000
     74     -12.5291      1.00000
     75     -12.5010      1.00000
     76     -12.4979      1.00000
     77     -11.8835      1.00000
     78     -11.8698      1.00000
     79     -11.7954      1.00000
     80     -11.7598      1.00000
     81     -11.7502      1.00000
     82     -11.7306      1.00000
     83     -11.7112      1.00000
     84     -11.6850      1.00000
     85     -11.6673      1.00000
     86     -11.6627      1.00000
     87     -11.6040      1.00000
     88     -11.5768      1.00000
     89     -11.5676      1.00000
     90     -11.5325      1.00000
     91     -11.4039      1.00000
     92     -11.3694      1.00000
     93     -11.2634      1.00000
     94     -11.2517      1.00000
     95     -10.8326      1.00000
     96     -10.8276      1.00000
     97     -10.8246      1.00000
     98     -10.8120      1.00000
     99     -10.7925      1.00000
    100     -10.7912      1.00000
    101     -10.2074      1.00000
    102     -10.1730      1.00000
    103     -10.1366      1.00000
    104     -10.1317      1.00000
    105     -10.1225      1.00000
    106     -10.1187      1.00000
    107     -10.0987      1.00000
    108     -10.0918      1.00000
    109     -10.0596      1.00000
    110     -10.0559      1.00000
    111      -9.9296      1.00000
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    114      -9.8683      1.00000
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    139      -9.1776      1.00000
    140      -9.1615      1.00000
    141      -9.1520      1.00000
    142      -9.1427      1.00000
    143      -9.1384      1.00000
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    182      -6.9558      1.00000
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    187      -6.7784      1.00000
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    200      -6.2191      1.00000
    201      -6.2165      1.00000
    202      -6.2029      1.00000
    203      -6.2002      1.00000
    204      -6.1962      1.00000
    205      -5.8700      1.00000
    206      -5.8684      1.00000
    207      -5.8505      1.00000
    208      -5.8083      1.00000
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    210      -5.7775      1.00000
    211      -5.7367      1.00000
    212      -5.7094      1.00000
    213      -5.6793      1.00000
    214      -5.6709      1.00000
    215      -5.6695      1.00000
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    217      -5.6449      1.00000
    218      -5.6098      1.00000
    219      -5.6054      1.00000
    220      -5.5795      1.00000
    221      -5.4233      1.00000
    222      -5.4228      1.00000
    223      -5.4160      1.00000
    224      -5.3357      1.00000
    225      -5.3352      1.00000
    226      -5.3350      1.00000
    227      -5.3163      1.00000
    228      -5.3119      1.00000
    229      -5.2791      1.00000
    230      -5.1843      1.00000
    231      -5.1842      1.00000
    232      -5.1840      1.00000
    233      -2.7356      1.00000
    234      -2.7174      1.00000
    235      -2.6210      1.00000
    236      -2.6058      1.00000
    237      -2.1292      1.00000
    238      -2.1120      1.00000
    239      -1.9062      0.00000
    240      -1.7244      0.00000
    241      -1.6530      0.00000
    242      -1.6333      0.00000
    243      -1.6319      0.00000
    244      -1.5037      0.00000
    245      -1.1098      0.00000
    246      -1.0547      0.00000
    247      -1.0142      0.00000
    248      -0.9990      0.00000
    249      -0.2511      0.00000
    250      -0.1723      0.00000
    251      -0.1710      0.00000
    252      -0.1691      0.00000
    253      -0.1585      0.00000
    254       0.0164      0.00000
    255       0.0427      0.00000
    256       0.0464      0.00000
    257       0.0566      0.00000
    258       0.1077      0.00000
    259       0.1146      0.00000
    260       0.1276      0.00000
    261       0.2987      0.00000
    262       0.3046      0.00000
    263       0.7071      0.00000
    264       0.8683      0.00000
    265       0.9326      0.00000
    266       0.9379      0.00000
    267       1.0059      0.00000
    268       1.0601      0.00000
    269       1.1672      0.00000
    270       1.3751      0.00000
    271       1.3810      0.00000
    272       1.3837      0.00000
    273       1.4862      0.00000
    274       1.5833      0.00000
    275       1.5933      0.00000
    276       1.6095      0.00000
    277       1.6970      0.00000
    278       1.7309      0.00000
    279       1.7501      0.00000
    280       1.8272      0.00000
    281       1.9033      0.00000
    282       1.9116      0.00000
    283       1.9246      0.00000
    284       1.9788      0.00000
    285       2.0103      0.00000
    286       2.0109      0.00000
    287       2.0631      0.00000
    288       2.0887      0.00000
    289       2.0935      0.00000
    290       2.1725      0.00000

 k-point     4 :      -0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9759      1.00000
     11     -25.9476      1.00000
     12     -25.9471      1.00000
     13     -25.9454      1.00000
     14     -25.9452      1.00000
     15     -25.8287      1.00000
     16     -25.8272      1.00000
     17     -25.7931      1.00000
     18     -25.7927      1.00000
     19     -25.7911      1.00000
     20     -25.7909      1.00000
     21     -23.7532      1.00000
     22     -23.7530      1.00000
     23     -23.7525      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7084      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5501      1.00000
     30     -23.5498      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3740      1.00000
     36     -20.3723      1.00000
     37     -20.3722      1.00000
     38     -20.1331      1.00000
     39     -20.1313      1.00000
     40     -20.1311      1.00000
     41     -18.0636      1.00000
     42     -18.0535      1.00000
     43     -18.0520      1.00000
     44     -17.9409      1.00000
     45     -17.9316      1.00000
     46     -17.9300      1.00000
     47     -17.4520      1.00000
     48     -17.4517      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4485      1.00000
     54     -15.4161      1.00000
     55     -15.4113      1.00000
     56     -15.4009      1.00000
     57     -15.3579      1.00000
     58     -15.3462      1.00000
     59     -13.9537      1.00000
     60     -13.9517      1.00000
     61     -13.9405      1.00000
     62     -13.7314      1.00000
     63     -13.7199      1.00000
     64     -13.7174      1.00000
     65     -13.5297      1.00000
     66     -13.4501      1.00000
     67     -13.4143      1.00000
     68     -13.4015      1.00000
     69     -13.3722      1.00000
     70     -13.3307      1.00000
     71     -12.6833      1.00000
     72     -12.6347      1.00000
     73     -12.6316      1.00000
     74     -12.5343      1.00000
     75     -12.5055      1.00000
     76     -12.4991      1.00000
     77     -11.8787      1.00000
     78     -11.8539      1.00000
     79     -11.8064      1.00000
     80     -11.7750      1.00000
     81     -11.7556      1.00000
     82     -11.7188      1.00000
     83     -11.6978      1.00000
     84     -11.6890      1.00000
     85     -11.6677      1.00000
     86     -11.6657      1.00000
     87     -11.6504      1.00000
     88     -11.6127      1.00000
     89     -11.5223      1.00000
     90     -11.4784      1.00000
     91     -11.4088      1.00000
     92     -11.3660      1.00000
     93     -11.2758      1.00000
     94     -11.2602      1.00000
     95     -10.8332      1.00000
     96     -10.8249      1.00000
     97     -10.8246      1.00000
     98     -10.8097      1.00000
     99     -10.7957      1.00000
    100     -10.7912      1.00000
    101     -10.2104      1.00000
    102     -10.1706      1.00000
    103     -10.1318      1.00000
    104     -10.1297      1.00000
    105     -10.1239      1.00000
    106     -10.1131      1.00000
    107     -10.1003      1.00000
    108     -10.0949      1.00000
    109     -10.0737      1.00000
    110     -10.0653      1.00000
    111      -9.9339      1.00000
    112      -9.8900      1.00000
    113      -9.8853      1.00000
    114      -9.8776      1.00000
    115      -9.8668      1.00000
    116      -9.8643      1.00000
    117      -9.8473      1.00000
    118      -9.8254      1.00000
    119      -9.8196      1.00000
    120      -9.7967      1.00000
    121      -9.7673      1.00000
    122      -9.7488      1.00000
    123      -9.7409      1.00000
    124      -9.7000      1.00000
    125      -9.6227      1.00000
    126      -9.6151      1.00000
    127      -9.6096      1.00000
    128      -9.5257      1.00000
    129      -9.5194      1.00000
    130      -9.4578      1.00000
    131      -9.4557      1.00000
    132      -9.4363      1.00000
    133      -9.3623      1.00000
    134      -9.3353      1.00000
    135      -9.2790      1.00000
    136      -9.2059      1.00000
    137      -9.1966      1.00000
    138      -9.1881      1.00000
    139      -9.1858      1.00000
    140      -9.1605      1.00000
    141      -9.1576      1.00000
    142      -9.1471      1.00000
    143      -9.1426      1.00000
    144      -9.1150      1.00000
    145      -9.0814      1.00000
    146      -8.9902      1.00000
    147      -8.9770      1.00000
    148      -8.9729      1.00000
    149      -8.8381      1.00000
    150      -8.8370      1.00000
    151      -8.8228      1.00000
    152      -8.7947      1.00000
    153      -8.7827      1.00000
    154      -8.7284      1.00000
    155      -8.4847      1.00000
    156      -8.4787      1.00000
    157      -8.4555      1.00000
    158      -8.4538      1.00000
    159      -8.3910      1.00000
    160      -8.3649      1.00000
    161      -8.3284      1.00000
    162      -8.3122      1.00000
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    165      -8.2399      1.00000
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    167      -7.9353      1.00000
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    178      -7.6320      1.00000
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    180      -7.0902      1.00000
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    182      -6.9637      1.00000
    183      -6.9411      1.00000
    184      -6.8932      1.00000
    185      -6.8914      1.00000
    186      -6.8570      1.00000
    187      -6.7782      1.00000
    188      -6.7718      1.00000
    189      -6.7385      1.00000
    190      -6.7322      1.00000
    191      -6.6469      1.00000
    192      -6.6439      1.00000
    193      -6.6273      1.00000
    194      -6.6254      1.00000
    195      -6.3784      1.00000
    196      -6.3736      1.00000
    197      -6.2289      1.00000
    198      -6.2240      1.00000
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    200      -6.2179      1.00000
    201      -6.2092      1.00000
    202      -6.2092      1.00000
    203      -6.2090      1.00000
    204      -6.2009      1.00000
    205      -5.8595      1.00000
    206      -5.8453      1.00000
    207      -5.8295      1.00000
    208      -5.8223      1.00000
    209      -5.8172      1.00000
    210      -5.7937      1.00000
    211      -5.7309      1.00000
    212      -5.7134      1.00000
    213      -5.6800      1.00000
    214      -5.6772      1.00000
    215      -5.6728      1.00000
    216      -5.6509      1.00000
    217      -5.6451      1.00000
    218      -5.6102      1.00000
    219      -5.6092      1.00000
    220      -5.5898      1.00000
    221      -5.4234      1.00000
    222      -5.4210      1.00000
    223      -5.4100      1.00000
    224      -5.3357      1.00000
    225      -5.3346      1.00000
    226      -5.3343      1.00000
    227      -5.3157      1.00000
    228      -5.3094      1.00000
    229      -5.2768      1.00000
    230      -5.1841      1.00000
    231      -5.1838      1.00000
    232      -5.1836      1.00000
    233      -2.7358      1.00000
    234      -2.7178      1.00000
    235      -2.6202      1.00000
    236      -2.6053      1.00000
    237      -2.1264      1.00000
    238      -2.1086      1.00000
    239      -1.9104      0.00000
    240      -1.7216      0.00000
    241      -1.6884      0.00000
    242      -1.6403      0.00000
    243      -1.6042      0.00000
    244      -1.4977      0.00000
    245      -1.1099      0.00000
    246      -1.0548      0.00000
    247      -1.0107      0.00000
    248      -1.0025      0.00000
    249      -0.2249      0.00000
    250      -0.1954      0.00000
    251      -0.1710      0.00000
    252      -0.1690      0.00000
    253      -0.1581      0.00000
    254       0.0148      0.00000
    255       0.0420      0.00000
    256       0.0463      0.00000
    257       0.0568      0.00000
    258       0.0974      0.00000
    259       0.1543      0.00000
    260       0.1870      0.00000
    261       0.2480      0.00000
    262       0.2662      0.00000
    263       0.7252      0.00000
    264       0.7740      0.00000
    265       0.8683      0.00000
    266       0.9315      0.00000
    267       1.0826      0.00000
    268       1.1248      0.00000
    269       1.1551      0.00000
    270       1.3071      0.00000
    271       1.4198      0.00000
    272       1.5242      0.00000
    273       1.5417      0.00000
    274       1.5972      0.00000
    275       1.6103      0.00000
    276       1.6979      0.00000
    277       1.7165      0.00000
    278       1.7549      0.00000
    279       1.8035      0.00000
    280       1.8305      0.00000
    281       1.8351      0.00000
    282       1.8890      0.00000
    283       1.9204      0.00000
    284       1.9521      0.00000
    285       1.9700      0.00000
    286       2.0195      0.00000
    287       2.0484      0.00000
    288       2.0536      0.00000
    289       2.0570      0.00000
    290       2.0849      0.00000

 k-point     5 :       0.5000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9759      1.00000
     11     -25.9475      1.00000
     12     -25.9472      1.00000
     13     -25.9455      1.00000
     14     -25.9451      1.00000
     15     -25.8287      1.00000
     16     -25.8272      1.00000
     17     -25.7930      1.00000
     18     -25.7928      1.00000
     19     -25.7912      1.00000
     20     -25.7908      1.00000
     21     -23.7531      1.00000
     22     -23.7531      1.00000
     23     -23.7526      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7084      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5500      1.00000
     30     -23.5499      1.00000
     31     -23.5496      1.00000
     32     -23.5494      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3739      1.00000
     36     -20.3725      1.00000
     37     -20.3720      1.00000
     38     -20.1331      1.00000
     39     -20.1315      1.00000
     40     -20.1310      1.00000
     41     -18.0636      1.00000
     42     -18.0537      1.00000
     43     -18.0519      1.00000
     44     -17.9408      1.00000
     45     -17.9317      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4518      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4485      1.00000
     54     -15.4162      1.00000
     55     -15.4113      1.00000
     56     -15.4009      1.00000
     57     -15.3582      1.00000
     58     -15.3460      1.00000
     59     -13.9536      1.00000
     60     -13.9518      1.00000
     61     -13.9405      1.00000
     62     -13.7314      1.00000
     63     -13.7200      1.00000
     64     -13.7173      1.00000
     65     -13.5296      1.00000
     66     -13.4502      1.00000
     67     -13.4142      1.00000
     68     -13.4016      1.00000
     69     -13.3723      1.00000
     70     -13.3306      1.00000
     71     -12.6833      1.00000
     72     -12.6349      1.00000
     73     -12.6315      1.00000
     74     -12.5343      1.00000
     75     -12.5056      1.00000
     76     -12.4990      1.00000
     77     -11.8785      1.00000
     78     -11.8541      1.00000
     79     -11.8062      1.00000
     80     -11.7751      1.00000
     81     -11.7556      1.00000
     82     -11.7188      1.00000
     83     -11.6979      1.00000
     84     -11.6889      1.00000
     85     -11.6676      1.00000
     86     -11.6658      1.00000
     87     -11.6506      1.00000
     88     -11.6126      1.00000
     89     -11.5222      1.00000
     90     -11.4785      1.00000
     91     -11.4088      1.00000
     92     -11.3660      1.00000
     93     -11.2758      1.00000
     94     -11.2602      1.00000
     95     -10.8332      1.00000
     96     -10.8251      1.00000
     97     -10.8244      1.00000
     98     -10.8097      1.00000
     99     -10.7958      1.00000
    100     -10.7912      1.00000
    101     -10.2104      1.00000
    102     -10.1706      1.00000
    103     -10.1318      1.00000
    104     -10.1298      1.00000
    105     -10.1239      1.00000
    106     -10.1131      1.00000
    107     -10.1002      1.00000
    108     -10.0950      1.00000
    109     -10.0738      1.00000
    110     -10.0652      1.00000
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    142      -9.1471      1.00000
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    205      -5.8596      1.00000
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    218      -5.6099      1.00000
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    220      -5.5898      1.00000
    221      -5.4234      1.00000
    222      -5.4210      1.00000
    223      -5.4100      1.00000
    224      -5.3357      1.00000
    225      -5.3346      1.00000
    226      -5.3344      1.00000
    227      -5.3157      1.00000
    228      -5.3094      1.00000
    229      -5.2768      1.00000
    230      -5.1840      1.00000
    231      -5.1839      1.00000
    232      -5.1836      1.00000
    233      -2.7358      1.00000
    234      -2.7177      1.00000
    235      -2.6201      1.00000
    236      -2.6053      1.00000
    237      -2.1263      1.00000
    238      -2.1087      1.00000
    239      -1.9105      0.00000
    240      -1.7215      0.00000
    241      -1.6884      0.00000
    242      -1.6401      0.00000
    243      -1.6042      0.00000
    244      -1.4977      0.00000
    245      -1.1099      0.00000
    246      -1.0548      0.00000
    247      -1.0107      0.00000
    248      -1.0025      0.00000
    249      -0.2249      0.00000
    250      -0.1954      0.00000
    251      -0.1709      0.00000
    252      -0.1691      0.00000
    253      -0.1581      0.00000
    254       0.0148      0.00000
    255       0.0419      0.00000
    256       0.0464      0.00000
    257       0.0568      0.00000
    258       0.0974      0.00000
    259       0.1541      0.00000
    260       0.1871      0.00000
    261       0.2480      0.00000
    262       0.2661      0.00000
    263       0.7252      0.00000
    264       0.7741      0.00000
    265       0.8681      0.00000
    266       0.9318      0.00000
    267       1.0827      0.00000
    268       1.1245      0.00000
    269       1.1553      0.00000
    270       1.3072      0.00000
    271       1.4197      0.00000
    272       1.5239      0.00000
    273       1.5419      0.00000
    274       1.5970      0.00000
    275       1.6106      0.00000
    276       1.6977      0.00000
    277       1.7165      0.00000
    278       1.7549      0.00000
    279       1.8036      0.00000
    280       1.8306      0.00000
    281       1.8349      0.00000
    282       1.8890      0.00000
    283       1.9204      0.00000
    284       1.9521      0.00000
    285       1.9700      0.00000
    286       2.0195      0.00000
    287       2.0485      0.00000
    288       2.0535      0.00000
    289       2.0571      0.00000
    290       2.0847      0.00000

 k-point     6 :       0.5000    0.0000   -0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9776      1.00000
     10     -25.9759      1.00000
     11     -25.9475      1.00000
     12     -25.9472      1.00000
     13     -25.9454      1.00000
     14     -25.9451      1.00000
     15     -25.8287      1.00000
     16     -25.8272      1.00000
     17     -25.7931      1.00000
     18     -25.7927      1.00000
     19     -25.7911      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7530      1.00000
     23     -23.7525      1.00000
     24     -23.7524      1.00000
     25     -23.7089      1.00000
     26     -23.7084      1.00000
     27     -23.6025      1.00000
     28     -23.6021      1.00000
     29     -23.5500      1.00000
     30     -23.5499      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3740      1.00000
     36     -20.3724      1.00000
     37     -20.3721      1.00000
     38     -20.1331      1.00000
     39     -20.1313      1.00000
     40     -20.1311      1.00000
     41     -18.0636      1.00000
     42     -18.0536      1.00000
     43     -18.0520      1.00000
     44     -17.9409      1.00000
     45     -17.9316      1.00000
     46     -17.9300      1.00000
     47     -17.4520      1.00000
     48     -17.4517      1.00000
     49     -17.4511      1.00000
     50     -17.2630      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4485      1.00000
     54     -15.4161      1.00000
     55     -15.4114      1.00000
     56     -15.4009      1.00000
     57     -15.3580      1.00000
     58     -15.3462      1.00000
     59     -13.9536      1.00000
     60     -13.9518      1.00000
     61     -13.9405      1.00000
     62     -13.7314      1.00000
     63     -13.7199      1.00000
     64     -13.7174      1.00000
     65     -13.5296      1.00000
     66     -13.4501      1.00000
     67     -13.4143      1.00000
     68     -13.4015      1.00000
     69     -13.3722      1.00000
     70     -13.3307      1.00000
     71     -12.6833      1.00000
     72     -12.6347      1.00000
     73     -12.6316      1.00000
     74     -12.5343      1.00000
     75     -12.5056      1.00000
     76     -12.4991      1.00000
     77     -11.8786      1.00000
     78     -11.8539      1.00000
     79     -11.8063      1.00000
     80     -11.7750      1.00000
     81     -11.7556      1.00000
     82     -11.7188      1.00000
     83     -11.6978      1.00000
     84     -11.6890      1.00000
     85     -11.6677      1.00000
     86     -11.6657      1.00000
     87     -11.6505      1.00000
     88     -11.6126      1.00000
     89     -11.5223      1.00000
     90     -11.4785      1.00000
     91     -11.4088      1.00000
     92     -11.3660      1.00000
     93     -11.2758      1.00000
     94     -11.2602      1.00000
     95     -10.8332      1.00000
     96     -10.8250      1.00000
     97     -10.8245      1.00000
     98     -10.8097      1.00000
     99     -10.7957      1.00000
    100     -10.7912      1.00000
    101     -10.2104      1.00000
    102     -10.1706      1.00000
    103     -10.1318      1.00000
    104     -10.1297      1.00000
    105     -10.1239      1.00000
    106     -10.1131      1.00000
    107     -10.1003      1.00000
    108     -10.0949      1.00000
    109     -10.0738      1.00000
    110     -10.0653      1.00000
    111      -9.9339      1.00000
    112      -9.8900      1.00000
    113      -9.8854      1.00000
    114      -9.8776      1.00000
    115      -9.8668      1.00000
    116      -9.8643      1.00000
    117      -9.8473      1.00000
    118      -9.8254      1.00000
    119      -9.8196      1.00000
    120      -9.7967      1.00000
    121      -9.7674      1.00000
    122      -9.7488      1.00000
    123      -9.7409      1.00000
    124      -9.7000      1.00000
    125      -9.6227      1.00000
    126      -9.6151      1.00000
    127      -9.6096      1.00000
    128      -9.5257      1.00000
    129      -9.5194      1.00000
    130      -9.4578      1.00000
    131      -9.4557      1.00000
    132      -9.4363      1.00000
    133      -9.3623      1.00000
    134      -9.3354      1.00000
    135      -9.2790      1.00000
    136      -9.2059      1.00000
    137      -9.1966      1.00000
    138      -9.1881      1.00000
    139      -9.1858      1.00000
    140      -9.1604      1.00000
    141      -9.1576      1.00000
    142      -9.1471      1.00000
    143      -9.1426      1.00000
    144      -9.1150      1.00000
    145      -9.0814      1.00000
    146      -8.9902      1.00000
    147      -8.9770      1.00000
    148      -8.9729      1.00000
    149      -8.8381      1.00000
    150      -8.8369      1.00000
    151      -8.8228      1.00000
    152      -8.7947      1.00000
    153      -8.7826      1.00000
    154      -8.7284      1.00000
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    156      -8.4787      1.00000
    157      -8.4555      1.00000
    158      -8.4538      1.00000
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    160      -8.3650      1.00000
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    178      -7.6320      1.00000
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    182      -6.9637      1.00000
    183      -6.9411      1.00000
    184      -6.8932      1.00000
    185      -6.8914      1.00000
    186      -6.8571      1.00000
    187      -6.7782      1.00000
    188      -6.7718      1.00000
    189      -6.7385      1.00000
    190      -6.7322      1.00000
    191      -6.6469      1.00000
    192      -6.6439      1.00000
    193      -6.6272      1.00000
    194      -6.6254      1.00000
    195      -6.3784      1.00000
    196      -6.3736      1.00000
    197      -6.2289      1.00000
    198      -6.2240      1.00000
    199      -6.2214      1.00000
    200      -6.2179      1.00000
    201      -6.2092      1.00000
    202      -6.2092      1.00000
    203      -6.2090      1.00000
    204      -6.2008      1.00000
    205      -5.8595      1.00000
    206      -5.8453      1.00000
    207      -5.8295      1.00000
    208      -5.8223      1.00000
    209      -5.8173      1.00000
    210      -5.7937      1.00000
    211      -5.7310      1.00000
    212      -5.7134      1.00000
    213      -5.6799      1.00000
    214      -5.6772      1.00000
    215      -5.6728      1.00000
    216      -5.6509      1.00000
    217      -5.6451      1.00000
    218      -5.6101      1.00000
    219      -5.6092      1.00000
    220      -5.5898      1.00000
    221      -5.4234      1.00000
    222      -5.4210      1.00000
    223      -5.4100      1.00000
    224      -5.3357      1.00000
    225      -5.3346      1.00000
    226      -5.3344      1.00000
    227      -5.3157      1.00000
    228      -5.3094      1.00000
    229      -5.2768      1.00000
    230      -5.1841      1.00000
    231      -5.1838      1.00000
    232      -5.1836      1.00000
    233      -2.7358      1.00000
    234      -2.7178      1.00000
    235      -2.6202      1.00000
    236      -2.6053      1.00000
    237      -2.1264      1.00000
    238      -2.1086      1.00000
    239      -1.9103      0.00000
    240      -1.7216      0.00000
    241      -1.6884      0.00000
    242      -1.6403      0.00000
    243      -1.6042      0.00000
    244      -1.4977      0.00000
    245      -1.1098      0.00000
    246      -1.0548      0.00000
    247      -1.0107      0.00000
    248      -1.0025      0.00000
    249      -0.2249      0.00000
    250      -0.1954      0.00000
    251      -0.1710      0.00000
    252      -0.1690      0.00000
    253      -0.1581      0.00000
    254       0.0148      0.00000
    255       0.0420      0.00000
    256       0.0464      0.00000
    257       0.0568      0.00000
    258       0.0974      0.00000
    259       0.1542      0.00000
    260       0.1870      0.00000
    261       0.2480      0.00000
    262       0.2662      0.00000
    263       0.7252      0.00000
    264       0.7741      0.00000
    265       0.8681      0.00000
    266       0.9317      0.00000
    267       1.0827      0.00000
    268       1.1246      0.00000
    269       1.1553      0.00000
    270       1.3071      0.00000
    271       1.4197      0.00000
    272       1.5239      0.00000
    273       1.5419      0.00000
    274       1.5970      0.00000
    275       1.6106      0.00000
    276       1.6977      0.00000
    277       1.7165      0.00000
    278       1.7549      0.00000
    279       1.8036      0.00000
    280       1.8306      0.00000
    281       1.8349      0.00000
    282       1.8889      0.00000
    283       1.9204      0.00000
    284       1.9521      0.00000
    285       1.9699      0.00000
    286       2.0195      0.00000
    287       2.0485      0.00000
    288       2.0536      0.00000
    289       2.0571      0.00000
    290       2.0847      0.00000

 k-point     7 :       0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9467      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7930      1.00000
     18     -25.7923      1.00000
     19     -25.7916      1.00000
     20     -25.7908      1.00000
     21     -23.7531      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7524      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5497      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3735      1.00000
     36     -20.3729      1.00000
     37     -20.3721      1.00000
     38     -20.1326      1.00000
     39     -20.1319      1.00000
     40     -20.1310      1.00000
     41     -18.0610      1.00000
     42     -18.0566      1.00000
     43     -18.0519      1.00000
     44     -17.9380      1.00000
     45     -17.9340      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4516      1.00000
     49     -17.4512      1.00000
     50     -17.2629      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3801      1.00000
     57     -15.3655      1.00000
     58     -15.3457      1.00000
     59     -13.9541      1.00000
     60     -13.9487      1.00000
     61     -13.9437      1.00000
     62     -13.7270      1.00000
     63     -13.7225      1.00000
     64     -13.7172      1.00000
     65     -13.5274      1.00000
     66     -13.4811      1.00000
     67     -13.4007      1.00000
     68     -13.3875      1.00000
     69     -13.3751      1.00000
     70     -13.3267      1.00000
     71     -12.6734      1.00000
     72     -12.6520      1.00000
     73     -12.6321      1.00000
     74     -12.5235      1.00000
     75     -12.5111      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8480      1.00000
     79     -11.8102      1.00000
     80     -11.7618      1.00000
     81     -11.7441      1.00000
     82     -11.7277      1.00000
     83     -11.7059      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6377      1.00000
     88     -11.5861      1.00000
     89     -11.5616      1.00000
     90     -11.4767      1.00000
     91     -11.4280      1.00000
     92     -11.3349      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8309      1.00000
     96     -10.8281      1.00000
     97     -10.8247      1.00000
     98     -10.8060      1.00000
     99     -10.7984      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1856      1.00000
    103     -10.1354      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0822      1.00000
    109     -10.0768      1.00000
    110     -10.0649      1.00000
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    205      -5.8608      1.00000
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    212      -5.6937      1.00000
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    218      -5.6171      1.00000
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    220      -5.5922      1.00000
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    224      -5.3354      1.00000
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    228      -5.3016      1.00000
    229      -5.2871      1.00000
    230      -5.1844      1.00000
    231      -5.1840      1.00000
    232      -5.1838      1.00000
    233      -2.7375      1.00000
    234      -2.6898      1.00000
    235      -2.6458      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9941      0.00000
    240      -1.7096      0.00000
    241      -1.6809      0.00000
    242      -1.6342      0.00000
    243      -1.6206      0.00000
    244      -1.3690      0.00000
    245      -1.2036      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1612      0.00000
    254       0.0439      0.00000
    255       0.0464      0.00000
    256       0.0503      0.00000
    257       0.0514      0.00000
    258       0.1056      0.00000
    259       0.1166      0.00000
    260       0.1737      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7069      0.00000
    264       0.8148      0.00000
    265       0.8462      0.00000
    266       0.9286      0.00000
    267       1.0490      0.00000
    268       1.1442      0.00000
    269       1.2447      0.00000
    270       1.3015      0.00000
    271       1.3441      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5825      0.00000
    275       1.6011      0.00000
    276       1.7111      0.00000
    277       1.7370      0.00000
    278       1.7575      0.00000
    279       1.7882      0.00000
    280       1.8399      0.00000
    281       1.8598      0.00000
    282       1.8893      0.00000
    283       1.9270      0.00000
    284       1.9497      0.00000
    285       1.9598      0.00000
    286       1.9879      0.00000
    287       2.0362      0.00000
    288       2.0455      0.00000
    289       2.0818      0.00000
    290       2.0963      0.00000

 k-point     8 :       0.5000   -0.2500    0.5000
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9466      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7931      1.00000
     18     -25.7922      1.00000
     19     -25.7915      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7525      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3736      1.00000
     36     -20.3727      1.00000
     37     -20.3721      1.00000
     38     -20.1327      1.00000
     39     -20.1317      1.00000
     40     -20.1311      1.00000
     41     -18.0611      1.00000
     42     -18.0565      1.00000
     43     -18.0520      1.00000
     44     -17.9381      1.00000
     45     -17.9340      1.00000
     46     -17.9300      1.00000
     47     -17.4520      1.00000
     48     -17.4515      1.00000
     49     -17.4513      1.00000
     50     -17.2629      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3801      1.00000
     57     -15.3654      1.00000
     58     -15.3458      1.00000
     59     -13.9541      1.00000
     60     -13.9486      1.00000
     61     -13.9437      1.00000
     62     -13.7270      1.00000
     63     -13.7224      1.00000
     64     -13.7172      1.00000
     65     -13.5275      1.00000
     66     -13.4811      1.00000
     67     -13.4008      1.00000
     68     -13.3875      1.00000
     69     -13.3751      1.00000
     70     -13.3267      1.00000
     71     -12.6734      1.00000
     72     -12.6518      1.00000
     73     -12.6322      1.00000
     74     -12.5235      1.00000
     75     -12.5111      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8478      1.00000
     79     -11.8104      1.00000
     80     -11.7617      1.00000
     81     -11.7442      1.00000
     82     -11.7276      1.00000
     83     -11.7060      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6377      1.00000
     88     -11.5861      1.00000
     89     -11.5616      1.00000
     90     -11.4765      1.00000
     91     -11.4281      1.00000
     92     -11.3348      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8310      1.00000
     96     -10.8279      1.00000
     97     -10.8248      1.00000
     98     -10.8060      1.00000
     99     -10.7984      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1855      1.00000
    103     -10.1355      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0821      1.00000
    109     -10.0768      1.00000
    110     -10.0649      1.00000
    111      -9.9298      1.00000
    112      -9.9060      1.00000
    113      -9.8975      1.00000
    114      -9.8723      1.00000
    115      -9.8589      1.00000
    116      -9.8540      1.00000
    117      -9.8410      1.00000
    118      -9.8354      1.00000
    119      -9.8183      1.00000
    120      -9.7900      1.00000
    121      -9.7756      1.00000
    122      -9.7529      1.00000
    123      -9.7295      1.00000
    124      -9.7137      1.00000
    125      -9.6225      1.00000
    126      -9.6131      1.00000
    127      -9.6089      1.00000
    128      -9.5242      1.00000
    129      -9.5028      1.00000
    130      -9.4772      1.00000
    131      -9.4435      1.00000
    132      -9.4261      1.00000
    133      -9.3859      1.00000
    134      -9.3291      1.00000
    135      -9.2657      1.00000
    136      -9.2243      1.00000
    137      -9.2026      1.00000
    138      -9.1908      1.00000
    139      -9.1805      1.00000
    140      -9.1679      1.00000
    141      -9.1599      1.00000
    142      -9.1389      1.00000
    143      -9.1260      1.00000
    144      -9.1126      1.00000
    145      -9.0850      1.00000
    146      -8.9875      1.00000
    147      -8.9813      1.00000
    148      -8.9723      1.00000
    149      -8.8446      1.00000
    150      -8.8298      1.00000
    151      -8.8124      1.00000
    152      -8.8006      1.00000
    153      -8.7740      1.00000
    154      -8.7532      1.00000
    155      -8.5023      1.00000
    156      -8.4925      1.00000
    157      -8.4464      1.00000
    158      -8.4391      1.00000
    159      -8.3982      1.00000
    160      -8.3574      1.00000
    161      -8.3265      1.00000
    162      -8.3084      1.00000
    163      -8.2889      1.00000
    164      -8.2604      1.00000
    165      -8.2439      1.00000
    166      -8.2073      1.00000
    167      -7.9163      1.00000
    168      -7.8948      1.00000
    169      -7.8602      1.00000
    170      -7.8376      1.00000
    171      -7.7981      1.00000
    172      -7.7446      1.00000
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    174      -7.7237      1.00000
    175      -7.6999      1.00000
    176      -7.6789      1.00000
    177      -7.6639      1.00000
    178      -7.6167      1.00000
    179      -7.0934      1.00000
    180      -7.0843      1.00000
    181      -7.0756      1.00000
    182      -6.9537      1.00000
    183      -6.9460      1.00000
    184      -6.8872      1.00000
    185      -6.8806      1.00000
    186      -6.8678      1.00000
    187      -6.7922      1.00000
    188      -6.7644      1.00000
    189      -6.7463      1.00000
    190      -6.7264      1.00000
    191      -6.6467      1.00000
    192      -6.6432      1.00000
    193      -6.6277      1.00000
    194      -6.6256      1.00000
    195      -6.3774      1.00000
    196      -6.3741      1.00000
    197      -6.2286      1.00000
    198      -6.2250      1.00000
    199      -6.2239      1.00000
    200      -6.2183      1.00000
    201      -6.2122      1.00000
    202      -6.2083      1.00000
    203      -6.2046      1.00000
    204      -6.1989      1.00000
    205      -5.8608      1.00000
    206      -5.8403      1.00000
    207      -5.8378      1.00000
    208      -5.8270      1.00000
    209      -5.8183      1.00000
    210      -5.8009      1.00000
    211      -5.7330      1.00000
    212      -5.6937      1.00000
    213      -5.6761      1.00000
    214      -5.6718      1.00000
    215      -5.6694      1.00000
    216      -5.6575      1.00000
    217      -5.6458      1.00000
    218      -5.6172      1.00000
    219      -5.6031      1.00000
    220      -5.5922      1.00000
    221      -5.4216      1.00000
    222      -5.4177      1.00000
    223      -5.4148      1.00000
    224      -5.3354      1.00000
    225      -5.3348      1.00000
    226      -5.3346      1.00000
    227      -5.3157      1.00000
    228      -5.3016      1.00000
    229      -5.2872      1.00000
    230      -5.1843      1.00000
    231      -5.1841      1.00000
    232      -5.1838      1.00000
    233      -2.7374      1.00000
    234      -2.6898      1.00000
    235      -2.6459      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9940      0.00000
    240      -1.7098      0.00000
    241      -1.6806      0.00000
    242      -1.6343      0.00000
    243      -1.6207      0.00000
    244      -1.3691      0.00000
    245      -1.2035      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1613      0.00000
    254       0.0440      0.00000
    255       0.0463      0.00000
    256       0.0503      0.00000
    257       0.0513      0.00000
    258       0.1057      0.00000
    259       0.1165      0.00000
    260       0.1736      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7068      0.00000
    264       0.8148      0.00000
    265       0.8461      0.00000
    266       0.9288      0.00000
    267       1.0492      0.00000
    268       1.1443      0.00000
    269       1.2446      0.00000
    270       1.3015      0.00000
    271       1.3438      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5824      0.00000
    275       1.6011      0.00000
    276       1.7111      0.00000
    277       1.7369      0.00000
    278       1.7574      0.00000
    279       1.7883      0.00000
    280       1.8400      0.00000
    281       1.8599      0.00000
    282       1.8894      0.00000
    283       1.9268      0.00000
    284       1.9497      0.00000
    285       1.9599      0.00000
    286       1.9879      0.00000
    287       2.0362      0.00000
    288       2.0454      0.00000
    289       2.0818      0.00000
    290       2.0963      0.00000

 k-point     9 :       0.5000    0.5000    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9467      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7931      1.00000
     18     -25.7923      1.00000
     19     -25.7916      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7524      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5497      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3735      1.00000
     36     -20.3728      1.00000
     37     -20.3721      1.00000
     38     -20.1326      1.00000
     39     -20.1319      1.00000
     40     -20.1310      1.00000
     41     -18.0611      1.00000
     42     -18.0565      1.00000
     43     -18.0520      1.00000
     44     -17.9381      1.00000
     45     -17.9340      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4516      1.00000
     49     -17.4512      1.00000
     50     -17.2629      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3800      1.00000
     57     -15.3656      1.00000
     58     -15.3457      1.00000
     59     -13.9541      1.00000
     60     -13.9487      1.00000
     61     -13.9437      1.00000
     62     -13.7270      1.00000
     63     -13.7225      1.00000
     64     -13.7172      1.00000
     65     -13.5274      1.00000
     66     -13.4811      1.00000
     67     -13.4008      1.00000
     68     -13.3875      1.00000
     69     -13.3751      1.00000
     70     -13.3266      1.00000
     71     -12.6734      1.00000
     72     -12.6519      1.00000
     73     -12.6322      1.00000
     74     -12.5234      1.00000
     75     -12.5112      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8479      1.00000
     79     -11.8103      1.00000
     80     -11.7617      1.00000
     81     -11.7442      1.00000
     82     -11.7277      1.00000
     83     -11.7060      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6378      1.00000
     88     -11.5860      1.00000
     89     -11.5616      1.00000
     90     -11.4765      1.00000
     91     -11.4281      1.00000
     92     -11.3349      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8310      1.00000
     96     -10.8279      1.00000
     97     -10.8248      1.00000
     98     -10.8060      1.00000
     99     -10.7985      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1855      1.00000
    103     -10.1354      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0822      1.00000
    109     -10.0769      1.00000
    110     -10.0649      1.00000
    111      -9.9298      1.00000
    112      -9.9060      1.00000
    113      -9.8975      1.00000
    114      -9.8724      1.00000
    115      -9.8588      1.00000
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    117      -9.8410      1.00000
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    120      -9.7900      1.00000
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    123      -9.7295      1.00000
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    125      -9.6224      1.00000
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    128      -9.5242      1.00000
    129      -9.5028      1.00000
    130      -9.4772      1.00000
    131      -9.4434      1.00000
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    139      -9.1805      1.00000
    140      -9.1679      1.00000
    141      -9.1599      1.00000
    142      -9.1390      1.00000
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    144      -9.1126      1.00000
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    182      -6.9537      1.00000
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    185      -6.8806      1.00000
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    205      -5.8610      1.00000
    206      -5.8401      1.00000
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    212      -5.6937      1.00000
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    219      -5.6032      1.00000
    220      -5.5922      1.00000
    221      -5.4215      1.00000
    222      -5.4178      1.00000
    223      -5.4148      1.00000
    224      -5.3352      1.00000
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    230      -5.1842      1.00000
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    232      -5.1839      1.00000
    233      -2.7375      1.00000
    234      -2.6898      1.00000
    235      -2.6458      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9941      0.00000
    240      -1.7097      0.00000
    241      -1.6807      0.00000
    242      -1.6343      0.00000
    243      -1.6206      0.00000
    244      -1.3690      0.00000
    245      -1.2037      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1612      0.00000
    254       0.0439      0.00000
    255       0.0464      0.00000
    256       0.0504      0.00000
    257       0.0514      0.00000
    258       0.1056      0.00000
    259       0.1166      0.00000
    260       0.1736      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7068      0.00000
    264       0.8148      0.00000
    265       0.8461      0.00000
    266       0.9288      0.00000
    267       1.0492      0.00000
    268       1.1443      0.00000
    269       1.2446      0.00000
    270       1.3015      0.00000
    271       1.3439      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5824      0.00000
    275       1.6011      0.00000
    276       1.7111      0.00000
    277       1.7369      0.00000
    278       1.7574      0.00000
    279       1.7883      0.00000
    280       1.8400      0.00000
    281       1.8598      0.00000
    282       1.8894      0.00000
    283       1.9269      0.00000
    284       1.9497      0.00000
    285       1.9599      0.00000
    286       1.9880      0.00000
    287       2.0362      0.00000
    288       2.0454      0.00000
    289       2.0818      0.00000
    290       2.0962      0.00000

 k-point    10 :      -0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9467      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7930      1.00000
     18     -25.7923      1.00000
     19     -25.7916      1.00000
     20     -25.7908      1.00000
     21     -23.7531      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7524      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5497      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3735      1.00000
     36     -20.3729      1.00000
     37     -20.3721      1.00000
     38     -20.1326      1.00000
     39     -20.1319      1.00000
     40     -20.1310      1.00000
     41     -18.0610      1.00000
     42     -18.0566      1.00000
     43     -18.0520      1.00000
     44     -17.9380      1.00000
     45     -17.9340      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4516      1.00000
     49     -17.4512      1.00000
     50     -17.2629      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3800      1.00000
     57     -15.3657      1.00000
     58     -15.3456      1.00000
     59     -13.9541      1.00000
     60     -13.9487      1.00000
     61     -13.9436      1.00000
     62     -13.7270      1.00000
     63     -13.7225      1.00000
     64     -13.7172      1.00000
     65     -13.5274      1.00000
     66     -13.4811      1.00000
     67     -13.4007      1.00000
     68     -13.3875      1.00000
     69     -13.3751      1.00000
     70     -13.3266      1.00000
     71     -12.6734      1.00000
     72     -12.6519      1.00000
     73     -12.6322      1.00000
     74     -12.5234      1.00000
     75     -12.5112      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8479      1.00000
     79     -11.8102      1.00000
     80     -11.7617      1.00000
     81     -11.7442      1.00000
     82     -11.7277      1.00000
     83     -11.7060      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6378      1.00000
     88     -11.5860      1.00000
     89     -11.5616      1.00000
     90     -11.4766      1.00000
     91     -11.4280      1.00000
     92     -11.3349      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8310      1.00000
     96     -10.8280      1.00000
     97     -10.8248      1.00000
     98     -10.8060      1.00000
     99     -10.7985      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1856      1.00000
    103     -10.1354      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0822      1.00000
    109     -10.0769      1.00000
    110     -10.0649      1.00000
    111      -9.9298      1.00000
    112      -9.9060      1.00000
    113      -9.8975      1.00000
    114      -9.8724      1.00000
    115      -9.8588      1.00000
    116      -9.8539      1.00000
    117      -9.8410      1.00000
    118      -9.8355      1.00000
    119      -9.8182      1.00000
    120      -9.7900      1.00000
    121      -9.7757      1.00000
    122      -9.7529      1.00000
    123      -9.7295      1.00000
    124      -9.7137      1.00000
    125      -9.6224      1.00000
    126      -9.6133      1.00000
    127      -9.6088      1.00000
    128      -9.5242      1.00000
    129      -9.5028      1.00000
    130      -9.4772      1.00000
    131      -9.4434      1.00000
    132      -9.4262      1.00000
    133      -9.3858      1.00000
    134      -9.3291      1.00000
    135      -9.2657      1.00000
    136      -9.2243      1.00000
    137      -9.2026      1.00000
    138      -9.1909      1.00000
    139      -9.1805      1.00000
    140      -9.1679      1.00000
    141      -9.1598      1.00000
    142      -9.1390      1.00000
    143      -9.1259      1.00000
    144      -9.1126      1.00000
    145      -9.0850      1.00000
    146      -8.9875      1.00000
    147      -8.9814      1.00000
    148      -8.9722      1.00000
    149      -8.8445      1.00000
    150      -8.8298      1.00000
    151      -8.8124      1.00000
    152      -8.8007      1.00000
    153      -8.7740      1.00000
    154      -8.7532      1.00000
    155      -8.5023      1.00000
    156      -8.4924      1.00000
    157      -8.4464      1.00000
    158      -8.4391      1.00000
    159      -8.3982      1.00000
    160      -8.3575      1.00000
    161      -8.3265      1.00000
    162      -8.3084      1.00000
    163      -8.2889      1.00000
    164      -8.2603      1.00000
    165      -8.2439      1.00000
    166      -8.2072      1.00000
    167      -7.9163      1.00000
    168      -7.8947      1.00000
    169      -7.8603      1.00000
    170      -7.8376      1.00000
    171      -7.7980      1.00000
    172      -7.7445      1.00000
    173      -7.7414      1.00000
    174      -7.7237      1.00000
    175      -7.7000      1.00000
    176      -7.6788      1.00000
    177      -7.6640      1.00000
    178      -7.6167      1.00000
    179      -7.0933      1.00000
    180      -7.0844      1.00000
    181      -7.0755      1.00000
    182      -6.9537      1.00000
    183      -6.9460      1.00000
    184      -6.8871      1.00000
    185      -6.8806      1.00000
    186      -6.8678      1.00000
    187      -6.7922      1.00000
    188      -6.7645      1.00000
    189      -6.7463      1.00000
    190      -6.7264      1.00000
    191      -6.6467      1.00000
    192      -6.6432      1.00000
    193      -6.6277      1.00000
    194      -6.6256      1.00000
    195      -6.3774      1.00000
    196      -6.3741      1.00000
    197      -6.2286      1.00000
    198      -6.2250      1.00000
    199      -6.2239      1.00000
    200      -6.2183      1.00000
    201      -6.2122      1.00000
    202      -6.2083      1.00000
    203      -6.2047      1.00000
    204      -6.1988      1.00000
    205      -5.8610      1.00000
    206      -5.8401      1.00000
    207      -5.8377      1.00000
    208      -5.8270      1.00000
    209      -5.8186      1.00000
    210      -5.8009      1.00000
    211      -5.7330      1.00000
    212      -5.6937      1.00000
    213      -5.6760      1.00000
    214      -5.6718      1.00000
    215      -5.6695      1.00000
    216      -5.6574      1.00000
    217      -5.6458      1.00000
    218      -5.6171      1.00000
    219      -5.6032      1.00000
    220      -5.5922      1.00000
    221      -5.4215      1.00000
    222      -5.4178      1.00000
    223      -5.4148      1.00000
    224      -5.3352      1.00000
    225      -5.3349      1.00000
    226      -5.3346      1.00000
    227      -5.3157      1.00000
    228      -5.3016      1.00000
    229      -5.2871      1.00000
    230      -5.1842      1.00000
    231      -5.1841      1.00000
    232      -5.1839      1.00000
    233      -2.7375      1.00000
    234      -2.6898      1.00000
    235      -2.6458      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9941      0.00000
    240      -1.7097      0.00000
    241      -1.6807      0.00000
    242      -1.6342      0.00000
    243      -1.6207      0.00000
    244      -1.3690      0.00000
    245      -1.2036      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1612      0.00000
    254       0.0439      0.00000
    255       0.0464      0.00000
    256       0.0504      0.00000
    257       0.0514      0.00000
    258       0.1055      0.00000
    259       0.1166      0.00000
    260       0.1736      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7069      0.00000
    264       0.8148      0.00000
    265       0.8462      0.00000
    266       0.9286      0.00000
    267       1.0491      0.00000
    268       1.1442      0.00000
    269       1.2446      0.00000
    270       1.3015      0.00000
    271       1.3441      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5824      0.00000
    275       1.6011      0.00000
    276       1.7112      0.00000
    277       1.7370      0.00000
    278       1.7575      0.00000
    279       1.7882      0.00000
    280       1.8399      0.00000
    281       1.8598      0.00000
    282       1.8893      0.00000
    283       1.9270      0.00000
    284       1.9497      0.00000
    285       1.9598      0.00000
    286       1.9880      0.00000
    287       2.0362      0.00000
    288       2.0454      0.00000
    289       2.0818      0.00000
    290       2.0962      0.00000

 k-point    11 :      -0.0000   -0.2500    0.5000
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9466      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7931      1.00000
     18     -25.7922      1.00000
     19     -25.7915      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7524      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5496      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3736      1.00000
     36     -20.3727      1.00000
     37     -20.3721      1.00000
     38     -20.1327      1.00000
     39     -20.1317      1.00000
     40     -20.1311      1.00000
     41     -18.0611      1.00000
     42     -18.0565      1.00000
     43     -18.0520      1.00000
     44     -17.9381      1.00000
     45     -17.9340      1.00000
     46     -17.9300      1.00000
     47     -17.4520      1.00000
     48     -17.4515      1.00000
     49     -17.4513      1.00000
     50     -17.2629      1.00000
     51     -17.2625      1.00000
     52     -17.2624      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3801      1.00000
     57     -15.3654      1.00000
     58     -15.3458      1.00000
     59     -13.9541      1.00000
     60     -13.9486      1.00000
     61     -13.9437      1.00000
     62     -13.7270      1.00000
     63     -13.7224      1.00000
     64     -13.7172      1.00000
     65     -13.5275      1.00000
     66     -13.4811      1.00000
     67     -13.4007      1.00000
     68     -13.3875      1.00000
     69     -13.3750      1.00000
     70     -13.3267      1.00000
     71     -12.6734      1.00000
     72     -12.6518      1.00000
     73     -12.6322      1.00000
     74     -12.5235      1.00000
     75     -12.5111      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8478      1.00000
     79     -11.8103      1.00000
     80     -11.7617      1.00000
     81     -11.7442      1.00000
     82     -11.7276      1.00000
     83     -11.7059      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6377      1.00000
     88     -11.5861      1.00000
     89     -11.5616      1.00000
     90     -11.4765      1.00000
     91     -11.4281      1.00000
     92     -11.3348      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8310      1.00000
     96     -10.8279      1.00000
     97     -10.8248      1.00000
     98     -10.8060      1.00000
     99     -10.7984      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1855      1.00000
    103     -10.1355      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0821      1.00000
    109     -10.0768      1.00000
    110     -10.0649      1.00000
    111      -9.9298      1.00000
    112      -9.9060      1.00000
    113      -9.8975      1.00000
    114      -9.8723      1.00000
    115      -9.8589      1.00000
    116      -9.8540      1.00000
    117      -9.8410      1.00000
    118      -9.8354      1.00000
    119      -9.8183      1.00000
    120      -9.7901      1.00000
    121      -9.7756      1.00000
    122      -9.7529      1.00000
    123      -9.7295      1.00000
    124      -9.7137      1.00000
    125      -9.6225      1.00000
    126      -9.6131      1.00000
    127      -9.6089      1.00000
    128      -9.5242      1.00000
    129      -9.5028      1.00000
    130      -9.4772      1.00000
    131      -9.4435      1.00000
    132      -9.4261      1.00000
    133      -9.3859      1.00000
    134      -9.3291      1.00000
    135      -9.2657      1.00000
    136      -9.2243      1.00000
    137      -9.2026      1.00000
    138      -9.1908      1.00000
    139      -9.1805      1.00000
    140      -9.1679      1.00000
    141      -9.1599      1.00000
    142      -9.1389      1.00000
    143      -9.1259      1.00000
    144      -9.1126      1.00000
    145      -9.0850      1.00000
    146      -8.9875      1.00000
    147      -8.9813      1.00000
    148      -8.9723      1.00000
    149      -8.8446      1.00000
    150      -8.8298      1.00000
    151      -8.8124      1.00000
    152      -8.8006      1.00000
    153      -8.7740      1.00000
    154      -8.7532      1.00000
    155      -8.5023      1.00000
    156      -8.4925      1.00000
    157      -8.4464      1.00000
    158      -8.4391      1.00000
    159      -8.3982      1.00000
    160      -8.3574      1.00000
    161      -8.3265      1.00000
    162      -8.3084      1.00000
    163      -8.2889      1.00000
    164      -8.2604      1.00000
    165      -8.2439      1.00000
    166      -8.2073      1.00000
    167      -7.9163      1.00000
    168      -7.8948      1.00000
    169      -7.8601      1.00000
    170      -7.8376      1.00000
    171      -7.7981      1.00000
    172      -7.7446      1.00000
    173      -7.7414      1.00000
    174      -7.7236      1.00000
    175      -7.6999      1.00000
    176      -7.6789      1.00000
    177      -7.6639      1.00000
    178      -7.6167      1.00000
    179      -7.0934      1.00000
    180      -7.0843      1.00000
    181      -7.0756      1.00000
    182      -6.9537      1.00000
    183      -6.9460      1.00000
    184      -6.8872      1.00000
    185      -6.8806      1.00000
    186      -6.8678      1.00000
    187      -6.7922      1.00000
    188      -6.7644      1.00000
    189      -6.7463      1.00000
    190      -6.7264      1.00000
    191      -6.6467      1.00000
    192      -6.6432      1.00000
    193      -6.6277      1.00000
    194      -6.6256      1.00000
    195      -6.3774      1.00000
    196      -6.3741      1.00000
    197      -6.2285      1.00000
    198      -6.2250      1.00000
    199      -6.2239      1.00000
    200      -6.2183      1.00000
    201      -6.2122      1.00000
    202      -6.2083      1.00000
    203      -6.2046      1.00000
    204      -6.1989      1.00000
    205      -5.8608      1.00000
    206      -5.8403      1.00000
    207      -5.8379      1.00000
    208      -5.8270      1.00000
    209      -5.8183      1.00000
    210      -5.8009      1.00000
    211      -5.7330      1.00000
    212      -5.6937      1.00000
    213      -5.6761      1.00000
    214      -5.6718      1.00000
    215      -5.6694      1.00000
    216      -5.6575      1.00000
    217      -5.6458      1.00000
    218      -5.6172      1.00000
    219      -5.6032      1.00000
    220      -5.5922      1.00000
    221      -5.4216      1.00000
    222      -5.4177      1.00000
    223      -5.4148      1.00000
    224      -5.3354      1.00000
    225      -5.3348      1.00000
    226      -5.3346      1.00000
    227      -5.3157      1.00000
    228      -5.3016      1.00000
    229      -5.2872      1.00000
    230      -5.1843      1.00000
    231      -5.1841      1.00000
    232      -5.1838      1.00000
    233      -2.7374      1.00000
    234      -2.6898      1.00000
    235      -2.6459      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9940      0.00000
    240      -1.7097      0.00000
    241      -1.6807      0.00000
    242      -1.6343      0.00000
    243      -1.6207      0.00000
    244      -1.3691      0.00000
    245      -1.2035      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1613      0.00000
    254       0.0440      0.00000
    255       0.0463      0.00000
    256       0.0503      0.00000
    257       0.0513      0.00000
    258       0.1057      0.00000
    259       0.1165      0.00000
    260       0.1736      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7069      0.00000
    264       0.8148      0.00000
    265       0.8462      0.00000
    266       0.9286      0.00000
    267       1.0491      0.00000
    268       1.1440      0.00000
    269       1.2449      0.00000
    270       1.3015      0.00000
    271       1.3440      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5826      0.00000
    275       1.6009      0.00000
    276       1.7110      0.00000
    277       1.7369      0.00000
    278       1.7575      0.00000
    279       1.7883      0.00000
    280       1.8400      0.00000
    281       1.8599      0.00000
    282       1.8893      0.00000
    283       1.9269      0.00000
    284       1.9496      0.00000
    285       1.9599      0.00000
    286       1.9879      0.00000
    287       2.0362      0.00000
    288       2.0454      0.00000
    289       2.0818      0.00000
    290       2.0963      0.00000

 k-point    12 :       0.0000    0.5000    0.2500
  band No.  band energies     occupation 
      1     -67.9250      1.00000
      2     -67.9213      1.00000
      3     -41.8851      1.00000
      4     -41.8851      1.00000
      5     -41.8885      1.00000
      6     -41.8885      1.00000
      7     -41.7123      1.00000
      8     -41.7157      1.00000
      9     -25.9771      1.00000
     10     -25.9764      1.00000
     11     -25.9475      1.00000
     12     -25.9467      1.00000
     13     -25.9459      1.00000
     14     -25.9451      1.00000
     15     -25.8283      1.00000
     16     -25.8276      1.00000
     17     -25.7931      1.00000
     18     -25.7923      1.00000
     19     -25.7916      1.00000
     20     -25.7908      1.00000
     21     -23.7532      1.00000
     22     -23.7529      1.00000
     23     -23.7527      1.00000
     24     -23.7524      1.00000
     25     -23.7087      1.00000
     26     -23.7085      1.00000
     27     -23.6024      1.00000
     28     -23.6022      1.00000
     29     -23.5500      1.00000
     30     -23.5498      1.00000
     31     -23.5497      1.00000
     32     -23.5495      1.00000
     33     -22.1208      1.00000
     34     -22.1199      1.00000
     35     -20.3735      1.00000
     36     -20.3728      1.00000
     37     -20.3721      1.00000
     38     -20.1326      1.00000
     39     -20.1319      1.00000
     40     -20.1310      1.00000
     41     -18.0611      1.00000
     42     -18.0566      1.00000
     43     -18.0520      1.00000
     44     -17.9381      1.00000
     45     -17.9340      1.00000
     46     -17.9299      1.00000
     47     -17.4519      1.00000
     48     -17.4516      1.00000
     49     -17.4512      1.00000
     50     -17.2629      1.00000
     51     -17.2626      1.00000
     52     -17.2623      1.00000
     53     -15.4475      1.00000
     54     -15.4314      1.00000
     55     -15.4106      1.00000
     56     -15.3801      1.00000
     57     -15.3654      1.00000
     58     -15.3458      1.00000
     59     -13.9541      1.00000
     60     -13.9487      1.00000
     61     -13.9437      1.00000
     62     -13.7270      1.00000
     63     -13.7225      1.00000
     64     -13.7172      1.00000
     65     -13.5274      1.00000
     66     -13.4811      1.00000
     67     -13.4007      1.00000
     68     -13.3875      1.00000
     69     -13.3751      1.00000
     70     -13.3268      1.00000
     71     -12.6734      1.00000
     72     -12.6520      1.00000
     73     -12.6321      1.00000
     74     -12.5235      1.00000
     75     -12.5111      1.00000
     76     -12.4983      1.00000
     77     -11.8910      1.00000
     78     -11.8479      1.00000
     79     -11.8102      1.00000
     80     -11.7618      1.00000
     81     -11.7441      1.00000
     82     -11.7277      1.00000
     83     -11.7059      1.00000
     84     -11.6972      1.00000
     85     -11.6690      1.00000
     86     -11.6578      1.00000
     87     -11.6377      1.00000
     88     -11.5861      1.00000
     89     -11.5617      1.00000
     90     -11.4766      1.00000
     91     -11.4280      1.00000
     92     -11.3349      1.00000
     93     -11.2909      1.00000
     94     -11.2552      1.00000
     95     -10.8309      1.00000
     96     -10.8281      1.00000
     97     -10.8247      1.00000
     98     -10.8060      1.00000
     99     -10.7984      1.00000
    100     -10.7913      1.00000
    101     -10.2013      1.00000
    102     -10.1855      1.00000
    103     -10.1354      1.00000
    104     -10.1286      1.00000
    105     -10.1266      1.00000
    106     -10.1120      1.00000
    107     -10.0964      1.00000
    108     -10.0822      1.00000
    109     -10.0768      1.00000
    110     -10.0649      1.00000
    111      -9.9298      1.00000
    112      -9.9060      1.00000
    113      -9.8974      1.00000
    114      -9.8723      1.00000
    115      -9.8589      1.00000
    116      -9.8540      1.00000
    117      -9.8411      1.00000
    118      -9.8355      1.00000
    119      -9.8182      1.00000
    120      -9.7900      1.00000
    121      -9.7756      1.00000
    122      -9.7529      1.00000
    123      -9.7295      1.00000
    124      -9.7137      1.00000
    125      -9.6225      1.00000
    126      -9.6131      1.00000
    127      -9.6089      1.00000
    128      -9.5242      1.00000
    129      -9.5029      1.00000
    130      -9.4772      1.00000
    131      -9.4435      1.00000
    132      -9.4261      1.00000
    133      -9.3859      1.00000
    134      -9.3291      1.00000
    135      -9.2657      1.00000
    136      -9.2243      1.00000
    137      -9.2026      1.00000
    138      -9.1908      1.00000
    139      -9.1805      1.00000
    140      -9.1679      1.00000
    141      -9.1599      1.00000
    142      -9.1390      1.00000
    143      -9.1259      1.00000
    144      -9.1126      1.00000
    145      -9.0850      1.00000
    146      -8.9875      1.00000
    147      -8.9814      1.00000
    148      -8.9722      1.00000
    149      -8.8446      1.00000
    150      -8.8298      1.00000
    151      -8.8123      1.00000
    152      -8.8005      1.00000
    153      -8.7741      1.00000
    154      -8.7533      1.00000
    155      -8.5023      1.00000
    156      -8.4925      1.00000
    157      -8.4464      1.00000
    158      -8.4391      1.00000
    159      -8.3982      1.00000
    160      -8.3574      1.00000
    161      -8.3265      1.00000
    162      -8.3084      1.00000
    163      -8.2889      1.00000
    164      -8.2603      1.00000
    165      -8.2440      1.00000
    166      -8.2072      1.00000
    167      -7.9163      1.00000
    168      -7.8948      1.00000
    169      -7.8601      1.00000
    170      -7.8377      1.00000
    171      -7.7981      1.00000
    172      -7.7446      1.00000
    173      -7.7414      1.00000
    174      -7.7236      1.00000
    175      -7.6999      1.00000
    176      -7.6789      1.00000
    177      -7.6640      1.00000
    178      -7.6167      1.00000
    179      -7.0934      1.00000
    180      -7.0844      1.00000
    181      -7.0755      1.00000
    182      -6.9538      1.00000
    183      -6.9460      1.00000
    184      -6.8871      1.00000
    185      -6.8806      1.00000
    186      -6.8678      1.00000
    187      -6.7922      1.00000
    188      -6.7645      1.00000
    189      -6.7463      1.00000
    190      -6.7264      1.00000
    191      -6.6467      1.00000
    192      -6.6432      1.00000
    193      -6.6277      1.00000
    194      -6.6256      1.00000
    195      -6.3774      1.00000
    196      -6.3741      1.00000
    197      -6.2285      1.00000
    198      -6.2250      1.00000
    199      -6.2239      1.00000
    200      -6.2183      1.00000
    201      -6.2122      1.00000
    202      -6.2083      1.00000
    203      -6.2046      1.00000
    204      -6.1989      1.00000
    205      -5.8608      1.00000
    206      -5.8404      1.00000
    207      -5.8379      1.00000
    208      -5.8269      1.00000
    209      -5.8184      1.00000
    210      -5.8009      1.00000
    211      -5.7330      1.00000
    212      -5.6937      1.00000
    213      -5.6761      1.00000
    214      -5.6718      1.00000
    215      -5.6694      1.00000
    216      -5.6574      1.00000
    217      -5.6458      1.00000
    218      -5.6171      1.00000
    219      -5.6032      1.00000
    220      -5.5922      1.00000
    221      -5.4216      1.00000
    222      -5.4178      1.00000
    223      -5.4148      1.00000
    224      -5.3354      1.00000
    225      -5.3348      1.00000
    226      -5.3346      1.00000
    227      -5.3157      1.00000
    228      -5.3016      1.00000
    229      -5.2871      1.00000
    230      -5.1844      1.00000
    231      -5.1840      1.00000
    232      -5.1838      1.00000
    233      -2.7375      1.00000
    234      -2.6898      1.00000
    235      -2.6458      1.00000
    236      -2.6054      1.00000
    237      -2.1262      1.00000
    238      -2.0754      1.00000
    239      -1.9941      0.00000
    240      -1.7096      0.00000
    241      -1.6809      0.00000
    242      -1.6342      0.00000
    243      -1.6206      0.00000
    244      -1.3690      0.00000
    245      -1.2037      0.00000
    246      -1.0588      0.00000
    247      -1.0091      0.00000
    248      -1.0034      0.00000
    249      -0.2242      0.00000
    250      -0.1976      0.00000
    251      -0.1710      0.00000
    252      -0.1661      0.00000
    253      -0.1612      0.00000
    254       0.0439      0.00000
    255       0.0463      0.00000
    256       0.0503      0.00000
    257       0.0513      0.00000
    258       0.1056      0.00000
    259       0.1166      0.00000
    260       0.1737      0.00000
    261       0.2554      0.00000
    262       0.2826      0.00000
    263       0.7069      0.00000
    264       0.8147      0.00000
    265       0.8462      0.00000
    266       0.9286      0.00000
    267       1.0491      0.00000
    268       1.1440      0.00000
    269       1.2449      0.00000
    270       1.3015      0.00000
    271       1.3440      0.00000
    272       1.5120      0.00000
    273       1.5300      0.00000
    274       1.5827      0.00000
    275       1.6009      0.00000
    276       1.7110      0.00000
    277       1.7369      0.00000
    278       1.7575      0.00000
    279       1.7883      0.00000
    280       1.8400      0.00000
    281       1.8599      0.00000
    282       1.8893      0.00000
    283       1.9269      0.00000
    284       1.9497      0.00000
    285       1.9599      0.00000
    286       1.9879      0.00000
    287       2.0362      0.00000
    288       2.0454      0.00000
    289       2.0818      0.00000
    290       2.0963      0.00000

 spin component 2

 k-point     1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9461      1.00000
     12     -25.9457      1.00000
     13     -25.9439      1.00000
     14     -25.9437      1.00000
     15     -25.7759      1.00000
     16     -25.7743      1.00000
     17     -25.7368      1.00000
     18     -25.7364      1.00000
     19     -25.7348      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7514      1.00000
     23     -23.7509      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7071      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5178      1.00000
     30     -23.5176      1.00000
     31     -23.5173      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3735      1.00000
     36     -20.3718      1.00000
     37     -20.3717      1.00000
     38     -20.0983      1.00000
     39     -20.0966      1.00000
     40     -20.0964      1.00000
     41     -18.0629      1.00000
     42     -18.0527      1.00000
     43     -18.0510      1.00000
     44     -17.8810      1.00000
     45     -17.8724      1.00000
     46     -17.8711      1.00000
     47     -17.4516      1.00000
     48     -17.4512      1.00000
     49     -17.4507      1.00000
     50     -17.2276      1.00000
     51     -17.2270      1.00000
     52     -17.2269      1.00000
     53     -15.4230      1.00000
     54     -15.3695      1.00000
     55     -15.3550      1.00000
     56     -15.3287      1.00000
     57     -15.3065      1.00000
     58     -15.3060      1.00000
     59     -13.9528      1.00000
     60     -13.9506      1.00000
     61     -13.9403      1.00000
     62     -13.7122      1.00000
     63     -13.7031      1.00000
     64     -13.7017      1.00000
     65     -13.5597      1.00000
     66     -13.4309      1.00000
     67     -13.3939      1.00000
     68     -13.3141      1.00000
     69     -13.2619      1.00000
     70     -13.2590      1.00000
     71     -12.6929      1.00000
     72     -12.6396      1.00000
     73     -12.6294      1.00000
     74     -12.4820      1.00000
     75     -12.4560      1.00000
     76     -12.4527      1.00000
     77     -11.8738      1.00000
     78     -11.8583      1.00000
     79     -11.7914      1.00000
     80     -11.7557      1.00000
     81     -11.7439      1.00000
     82     -11.6829      1.00000
     83     -11.6802      1.00000
     84     -11.6610      1.00000
     85     -11.6179      1.00000
     86     -11.6132      1.00000
     87     -11.5697      1.00000
     88     -11.5349      1.00000
     89     -11.5305      1.00000
     90     -11.5070      1.00000
     91     -11.4007      1.00000
     92     -11.3178      1.00000
     93     -11.2066      1.00000
     94     -11.1937      1.00000
     95     -10.8314      1.00000
     96     -10.8220      1.00000
     97     -10.8199      1.00000
     98     -10.7617      1.00000
     99     -10.7367      1.00000
    100     -10.7330      1.00000
    101     -10.2041      1.00000
    102     -10.1679      1.00000
    103     -10.0971      1.00000
    104     -10.0966      1.00000
    105     -10.0813      1.00000
    106     -10.0772      1.00000
    107     -10.0563      1.00000
    108     -10.0501      1.00000
    109     -10.0044      1.00000
    110     -10.0042      1.00000
    111      -9.8659      1.00000
    112      -9.8454      1.00000
    113      -9.8423      1.00000
    114      -9.8220      1.00000
    115      -9.8156      1.00000
    116      -9.7962      1.00000
    117      -9.7952      1.00000
    118      -9.7548      1.00000
    119      -9.7529      1.00000
    120      -9.7409      1.00000
    121      -9.7334      1.00000
    122      -9.7127      1.00000
    123      -9.7098      1.00000
    124      -9.6868      1.00000
    125      -9.6046      1.00000
    126      -9.6030      1.00000
    127      -9.5914      1.00000
    128      -9.5013      1.00000
    129      -9.4929      1.00000
    130      -9.4284      1.00000
    131      -9.4020      1.00000
    132      -9.3936      1.00000
    133      -9.3381      1.00000
    134      -9.3247      1.00000
    135      -9.2540      1.00000
    136      -9.2162      1.00000
    137      -9.1946      1.00000
    138      -9.1862      1.00000
    139      -9.1662      1.00000
    140      -9.1597      1.00000
    141      -9.1412      1.00000
    142      -9.1282      1.00000
    143      -9.1175      1.00000
    144      -9.1002      1.00000
    145      -9.0820      1.00000
    146      -8.9808      1.00000
    147      -8.9663      1.00000
    148      -8.9639      1.00000
    149      -8.8348      1.00000
    150      -8.8297      1.00000
    151      -8.8246      1.00000
    152      -8.7748      1.00000
    153      -8.7629      1.00000
    154      -8.7154      1.00000
    155      -8.4921      1.00000
    156      -8.4872      1.00000
    157      -8.4174      1.00000
    158      -8.4124      1.00000
    159      -8.3559      1.00000
    160      -8.3512      1.00000
    161      -8.3269      1.00000
    162      -8.3011      1.00000
    163      -8.2422      1.00000
    164      -8.2298      1.00000
    165      -8.2018      1.00000
    166      -8.1619      1.00000
    167      -7.9161      1.00000
    168      -7.8883      1.00000
    169      -7.8806      1.00000
    170      -7.7753      1.00000
    171      -7.7630      1.00000
    172      -7.7409      1.00000
    173      -7.6512      1.00000
    174      -7.6414      1.00000
    175      -7.6263      1.00000
    176      -7.5975      1.00000
    177      -7.5826      1.00000
    178      -7.5730      1.00000
    179      -7.0906      1.00000
    180      -7.0874      1.00000
    181      -7.0696      1.00000
    182      -6.8842      1.00000
    183      -6.8735      1.00000
    184      -6.8626      1.00000
    185      -6.8530      1.00000
    186      -6.8244      1.00000
    187      -6.6542      1.00000
    188      -6.6494      1.00000
    189      -6.6427      1.00000
    190      -6.6406      1.00000
    191      -6.5871      1.00000
    192      -6.5843      1.00000
    193      -6.5607      1.00000
    194      -6.5562      1.00000
    195      -6.3488      1.00000
    196      -6.3383      1.00000
    197      -6.1940      1.00000
    198      -6.1881      1.00000
    199      -6.1858      1.00000
    200      -6.1724      1.00000
    201      -6.1633      1.00000
    202      -6.1598      1.00000
    203      -6.1514      1.00000
    204      -6.1381      1.00000
    205      -5.8501      1.00000
    206      -5.8479      1.00000
    207      -5.8240      1.00000
    208      -5.7899      1.00000
    209      -5.7859      1.00000
    210      -5.7479      1.00000
    211      -5.6982      1.00000
    212      -5.6816      1.00000
    213      -5.6719      1.00000
    214      -5.6139      1.00000
    215      -5.6121      1.00000
    216      -5.5984      1.00000
    217      -5.5884      1.00000
    218      -5.5694      1.00000
    219      -5.5420      1.00000
    220      -5.5383      1.00000
    221      -5.4208      1.00000
    222      -5.4205      1.00000
    223      -5.4124      1.00000
    224      -5.3347      1.00000
    225      -5.3340      1.00000
    226      -5.3339      1.00000
    227      -5.2034      1.00000
    228      -5.1997      1.00000
    229      -5.1747      1.00000
    230      -5.0928      1.00000
    231      -5.0919      1.00000
    232      -5.0916      1.00000
    233      -1.8979      0.00000
    234      -1.8691      0.00000
    235      -1.7176      0.00000
    236      -1.6369      0.00000
    237      -1.6354      0.00000
    238      -1.6184      0.00000
    239      -0.7226      0.00000
    240      -0.6439      0.00000
    241      -0.3893      0.00000
    242      -0.3276      0.00000
    243      -0.2077      0.00000
    244      -0.1986      0.00000
    245      -0.1915      0.00000
    246      -0.1913      0.00000
    247      -0.1696      0.00000
    248      -0.1682      0.00000
    249      -0.1576      0.00000
    250      -0.1497      0.00000
    251      -0.0514      0.00000
    252      -0.0141      0.00000
    253       0.1130      0.00000
    254       0.1160      0.00000
    255       0.1343      0.00000
    256       0.1405      0.00000
    257       0.1706      0.00000
    258       0.1906      0.00000
    259       0.1915      0.00000
    260       0.4600      0.00000
    261       0.7376      0.00000
    262       0.7945      0.00000
    263       0.8345      0.00000
    264       0.8917      0.00000
    265       0.9492      0.00000
    266       0.9826      0.00000
    267       1.0527      0.00000
    268       1.0822      0.00000
    269       1.1887      0.00000
    270       1.3978      0.00000
    271       1.4030      0.00000
    272       1.4088      0.00000
    273       1.5135      0.00000
    274       1.6082      0.00000
    275       1.6086      0.00000
    276       1.6322      0.00000
    277       1.7202      0.00000
    278       1.7495      0.00000
    279       1.7806      0.00000
    280       1.8407      0.00000
    281       1.9313      0.00000
    282       1.9351      0.00000
    283       1.9586      0.00000
    284       2.0011      0.00000
    285       2.0367      0.00000
    286       2.0372      0.00000
    287       2.1747      0.00000
    288       2.1760      0.00000
    289       2.2149      0.00000
    290       2.2525      0.00000

 k-point     2 :       0.0000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9460      1.00000
     12     -25.9458      1.00000
     13     -25.9440      1.00000
     14     -25.9436      1.00000
     15     -25.7759      1.00000
     16     -25.7743      1.00000
     17     -25.7367      1.00000
     18     -25.7365      1.00000
     19     -25.7349      1.00000
     20     -25.7345      1.00000
     21     -23.7515      1.00000
     22     -23.7515      1.00000
     23     -23.7510      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7071      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5177      1.00000
     30     -23.5177      1.00000
     31     -23.5174      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3734      1.00000
     36     -20.3720      1.00000
     37     -20.3715      1.00000
     38     -20.0983      1.00000
     39     -20.0967      1.00000
     40     -20.0962      1.00000
     41     -18.0629      1.00000
     42     -18.0529      1.00000
     43     -18.0509      1.00000
     44     -17.8810      1.00000
     45     -17.8726      1.00000
     46     -17.8710      1.00000
     47     -17.4515      1.00000
     48     -17.4514      1.00000
     49     -17.4507      1.00000
     50     -17.2275      1.00000
     51     -17.2271      1.00000
     52     -17.2268      1.00000
     53     -15.4229      1.00000
     54     -15.3697      1.00000
     55     -15.3548      1.00000
     56     -15.3287      1.00000
     57     -15.3064      1.00000
     58     -15.3061      1.00000
     59     -13.9527      1.00000
     60     -13.9507      1.00000
     61     -13.9403      1.00000
     62     -13.7122      1.00000
     63     -13.7032      1.00000
     64     -13.7016      1.00000
     65     -13.5597      1.00000
     66     -13.4310      1.00000
     67     -13.3938      1.00000
     68     -13.3141      1.00000
     69     -13.2618      1.00000
     70     -13.2591      1.00000
     71     -12.6929      1.00000
     72     -12.6398      1.00000
     73     -12.6293      1.00000
     74     -12.4820      1.00000
     75     -12.4561      1.00000
     76     -12.4526      1.00000
     77     -11.8737      1.00000
     78     -11.8585      1.00000
     79     -11.7912      1.00000
     80     -11.7557      1.00000
     81     -11.7440      1.00000
     82     -11.6828      1.00000
     83     -11.6803      1.00000
     84     -11.6609      1.00000
     85     -11.6178      1.00000
     86     -11.6132      1.00000
     87     -11.5697      1.00000
     88     -11.5349      1.00000
     89     -11.5305      1.00000
     90     -11.5070      1.00000
     91     -11.4007      1.00000
     92     -11.3178      1.00000
     93     -11.2066      1.00000
     94     -11.1937      1.00000
     95     -10.8314      1.00000
     96     -10.8222      1.00000
     97     -10.8197      1.00000
     98     -10.7617      1.00000
     99     -10.7368      1.00000
    100     -10.7329      1.00000
    101     -10.2041      1.00000
    102     -10.1679      1.00000
    103     -10.0970      1.00000
    104     -10.0966      1.00000
    105     -10.0813      1.00000
    106     -10.0771      1.00000
    107     -10.0564      1.00000
    108     -10.0501      1.00000
    109     -10.0044      1.00000
    110     -10.0042      1.00000
    111      -9.8659      1.00000
    112      -9.8454      1.00000
    113      -9.8423      1.00000
    114      -9.8221      1.00000
    115      -9.8155      1.00000
    116      -9.7962      1.00000
    117      -9.7951      1.00000
    118      -9.7548      1.00000
    119      -9.7529      1.00000
    120      -9.7409      1.00000
    121      -9.7334      1.00000
    122      -9.7127      1.00000
    123      -9.7098      1.00000
    124      -9.6868      1.00000
    125      -9.6044      1.00000
    126      -9.6031      1.00000
    127      -9.5914      1.00000
    128      -9.5012      1.00000
    129      -9.4929      1.00000
    130      -9.4284      1.00000
    131      -9.4021      1.00000
    132      -9.3936      1.00000
    133      -9.3381      1.00000
    134      -9.3247      1.00000
    135      -9.2540      1.00000
    136      -9.2161      1.00000
    137      -9.1945      1.00000
    138      -9.1862      1.00000
    139      -9.1663      1.00000
    140      -9.1595      1.00000
    141      -9.1412      1.00000
    142      -9.1282      1.00000
    143      -9.1176      1.00000
    144      -9.1002      1.00000
    145      -9.0821      1.00000
    146      -8.9808      1.00000
    147      -8.9664      1.00000
    148      -8.9638      1.00000
    149      -8.8349      1.00000
    150      -8.8296      1.00000
    151      -8.8246      1.00000
    152      -8.7746      1.00000
    153      -8.7630      1.00000
    154      -8.7154      1.00000
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    178      -7.5730      1.00000
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    182      -6.8841      1.00000
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    185      -6.8530      1.00000
    186      -6.8244      1.00000
    187      -6.6542      1.00000
    188      -6.6495      1.00000
    189      -6.6427      1.00000
    190      -6.6406      1.00000
    191      -6.5871      1.00000
    192      -6.5843      1.00000
    193      -6.5607      1.00000
    194      -6.5561      1.00000
    195      -6.3488      1.00000
    196      -6.3383      1.00000
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    198      -6.1881      1.00000
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    200      -6.1723      1.00000
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    203      -6.1514      1.00000
    204      -6.1381      1.00000
    205      -5.8499      1.00000
    206      -5.8480      1.00000
    207      -5.8240      1.00000
    208      -5.7897      1.00000
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    212      -5.6815      1.00000
    213      -5.6719      1.00000
    214      -5.6140      1.00000
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    216      -5.5985      1.00000
    217      -5.5883      1.00000
    218      -5.5695      1.00000
    219      -5.5419      1.00000
    220      -5.5384      1.00000
    221      -5.4208      1.00000
    222      -5.4206      1.00000
    223      -5.4124      1.00000
    224      -5.3347      1.00000
    225      -5.3340      1.00000
    226      -5.3338      1.00000
    227      -5.2033      1.00000
    228      -5.1998      1.00000
    229      -5.1747      1.00000
    230      -5.0928      1.00000
    231      -5.0920      1.00000
    232      -5.0915      1.00000
    233      -1.8978      0.00000
    234      -1.8692      0.00000
    235      -1.7176      0.00000
    236      -1.6369      0.00000
    237      -1.6356      0.00000
    238      -1.6183      0.00000
    239      -0.7225      0.00000
    240      -0.6439      0.00000
    241      -0.3893      0.00000
    242      -0.3276      0.00000
    243      -0.2077      0.00000
    244      -0.1986      0.00000
    245      -0.1915      0.00000
    246      -0.1913      0.00000
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    249      -0.1576      0.00000
    250      -0.1497      0.00000
    251      -0.0513      0.00000
    252      -0.0141      0.00000
    253       0.1129      0.00000
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    255       0.1342      0.00000
    256       0.1405      0.00000
    257       0.1706      0.00000
    258       0.1908      0.00000
    259       0.1914      0.00000
    260       0.4601      0.00000
    261       0.7376      0.00000
    262       0.7945      0.00000
    263       0.8345      0.00000
    264       0.8919      0.00000
    265       0.9489      0.00000
    266       0.9826      0.00000
    267       1.0526      0.00000
    268       1.0820      0.00000
    269       1.1891      0.00000
    270       1.3976      0.00000
    271       1.4031      0.00000
    272       1.4090      0.00000
    273       1.5136      0.00000
    274       1.6082      0.00000
    275       1.6084      0.00000
    276       1.6322      0.00000
    277       1.7205      0.00000
    278       1.7493      0.00000
    279       1.7806      0.00000
    280       1.8407      0.00000
    281       1.9311      0.00000
    282       1.9350      0.00000
    283       1.9587      0.00000
    284       2.0014      0.00000
    285       2.0364      0.00000
    286       2.0373      0.00000
    287       2.1746      0.00000
    288       2.1761      0.00000
    289       2.2147      0.00000
    290       2.2526      0.00000

 k-point     3 :      -0.0000    0.0000   -0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9461      1.00000
     12     -25.9457      1.00000
     13     -25.9440      1.00000
     14     -25.9437      1.00000
     15     -25.7759      1.00000
     16     -25.7743      1.00000
     17     -25.7368      1.00000
     18     -25.7364      1.00000
     19     -25.7348      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7514      1.00000
     23     -23.7509      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7071      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5178      1.00000
     30     -23.5176      1.00000
     31     -23.5173      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3735      1.00000
     36     -20.3719      1.00000
     37     -20.3716      1.00000
     38     -20.0983      1.00000
     39     -20.0966      1.00000
     40     -20.0964      1.00000
     41     -18.0629      1.00000
     42     -18.0528      1.00000
     43     -18.0510      1.00000
     44     -17.8810      1.00000
     45     -17.8725      1.00000
     46     -17.8711      1.00000
     47     -17.4515      1.00000
     48     -17.4513      1.00000
     49     -17.4507      1.00000
     50     -17.2276      1.00000
     51     -17.2270      1.00000
     52     -17.2269      1.00000
     53     -15.4230      1.00000
     54     -15.3695      1.00000
     55     -15.3549      1.00000
     56     -15.3287      1.00000
     57     -15.3065      1.00000
     58     -15.3060      1.00000
     59     -13.9527      1.00000
     60     -13.9507      1.00000
     61     -13.9403      1.00000
     62     -13.7122      1.00000
     63     -13.7031      1.00000
     64     -13.7017      1.00000
     65     -13.5597      1.00000
     66     -13.4310      1.00000
     67     -13.3939      1.00000
     68     -13.3141      1.00000
     69     -13.2619      1.00000
     70     -13.2590      1.00000
     71     -12.6929      1.00000
     72     -12.6397      1.00000
     73     -12.6294      1.00000
     74     -12.4820      1.00000
     75     -12.4560      1.00000
     76     -12.4527      1.00000
     77     -11.8738      1.00000
     78     -11.8584      1.00000
     79     -11.7913      1.00000
     80     -11.7557      1.00000
     81     -11.7440      1.00000
     82     -11.6828      1.00000
     83     -11.6802      1.00000
     84     -11.6610      1.00000
     85     -11.6179      1.00000
     86     -11.6132      1.00000
     87     -11.5697      1.00000
     88     -11.5349      1.00000
     89     -11.5305      1.00000
     90     -11.5070      1.00000
     91     -11.4007      1.00000
     92     -11.3178      1.00000
     93     -11.2066      1.00000
     94     -11.1937      1.00000
     95     -10.8314      1.00000
     96     -10.8221      1.00000
     97     -10.8199      1.00000
     98     -10.7617      1.00000
     99     -10.7367      1.00000
    100     -10.7329      1.00000
    101     -10.2041      1.00000
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    103     -10.0970      1.00000
    104     -10.0966      1.00000
    105     -10.0813      1.00000
    106     -10.0772      1.00000
    107     -10.0563      1.00000
    108     -10.0501      1.00000
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    110     -10.0042      1.00000
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    240      -0.6439      0.00000
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    245      -0.1915      0.00000
    246      -0.1913      0.00000
    247      -0.1696      0.00000
    248      -0.1682      0.00000
    249      -0.1576      0.00000
    250      -0.1497      0.00000
    251      -0.0514      0.00000
    252      -0.0141      0.00000
    253       0.1130      0.00000
    254       0.1160      0.00000
    255       0.1342      0.00000
    256       0.1405      0.00000
    257       0.1706      0.00000
    258       0.1907      0.00000
    259       0.1915      0.00000
    260       0.4600      0.00000
    261       0.7376      0.00000
    262       0.7945      0.00000
    263       0.8345      0.00000
    264       0.8919      0.00000
    265       0.9489      0.00000
    266       0.9826      0.00000
    267       1.0526      0.00000
    268       1.0820      0.00000
    269       1.1890      0.00000
    270       1.3976      0.00000
    271       1.4031      0.00000
    272       1.4090      0.00000
    273       1.5136      0.00000
    274       1.6083      0.00000
    275       1.6085      0.00000
    276       1.6322      0.00000
    277       1.7205      0.00000
    278       1.7493      0.00000
    279       1.7806      0.00000
    280       1.8407      0.00000
    281       1.9312      0.00000
    282       1.9351      0.00000
    283       1.9586      0.00000
    284       2.0013      0.00000
    285       2.0365      0.00000
    286       2.0373      0.00000
    287       2.1746      0.00000
    288       2.1762      0.00000
    289       2.2147      0.00000
    290       2.2526      0.00000

 k-point     4 :      -0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9461      1.00000
     12     -25.9457      1.00000
     13     -25.9439      1.00000
     14     -25.9437      1.00000
     15     -25.7759      1.00000
     16     -25.7744      1.00000
     17     -25.7368      1.00000
     18     -25.7364      1.00000
     19     -25.7348      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7514      1.00000
     23     -23.7509      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7072      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5178      1.00000
     30     -23.5176      1.00000
     31     -23.5173      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3735      1.00000
     36     -20.3718      1.00000
     37     -20.3717      1.00000
     38     -20.0983      1.00000
     39     -20.0966      1.00000
     40     -20.0964      1.00000
     41     -18.0626      1.00000
     42     -18.0526      1.00000
     43     -18.0511      1.00000
     44     -17.8814      1.00000
     45     -17.8726      1.00000
     46     -17.8711      1.00000
     47     -17.4516      1.00000
     48     -17.4513      1.00000
     49     -17.4507      1.00000
     50     -17.2276      1.00000
     51     -17.2270      1.00000
     52     -17.2269      1.00000
     53     -15.4072      1.00000
     54     -15.3605      1.00000
     55     -15.3549      1.00000
     56     -15.3444      1.00000
     57     -15.3171      1.00000
     58     -15.3065      1.00000
     59     -13.9532      1.00000
     60     -13.9513      1.00000
     61     -13.9402      1.00000
     62     -13.7157      1.00000
     63     -13.7043      1.00000
     64     -13.7020      1.00000
     65     -13.5222      1.00000
     66     -13.4063      1.00000
     67     -13.3929      1.00000
     68     -13.3530      1.00000
     69     -13.2874      1.00000
     70     -13.2613      1.00000
     71     -12.6810      1.00000
     72     -12.6331      1.00000
     73     -12.6297      1.00000
     74     -12.4849      1.00000
     75     -12.4594      1.00000
     76     -12.4541      1.00000
     77     -11.8710      1.00000
     78     -11.8496      1.00000
     79     -11.7963      1.00000
     80     -11.7620      1.00000
     81     -11.7447      1.00000
     82     -11.6847      1.00000
     83     -11.6752      1.00000
     84     -11.6489      1.00000
     85     -11.6188      1.00000
     86     -11.6133      1.00000
     87     -11.6083      1.00000
     88     -11.5802      1.00000
     89     -11.4935      1.00000
     90     -11.4549      1.00000
     91     -11.4054      1.00000
     92     -11.3157      1.00000
     93     -11.2152      1.00000
     94     -11.1997      1.00000
     95     -10.8315      1.00000
     96     -10.8209      1.00000
     97     -10.8199      1.00000
     98     -10.7612      1.00000
     99     -10.7373      1.00000
    100     -10.7329      1.00000
    101     -10.2070      1.00000
    102     -10.1656      1.00000
    103     -10.0981      1.00000
    104     -10.0966      1.00000
    105     -10.0802      1.00000
    106     -10.0710      1.00000
    107     -10.0532      1.00000
    108     -10.0516      1.00000
    109     -10.0139      1.00000
    110     -10.0132      1.00000
    111      -9.8663      1.00000
    112      -9.8301      1.00000
    113      -9.8214      1.00000
    114      -9.8204      1.00000
    115      -9.8147      1.00000
    116      -9.8029      1.00000
    117      -9.7958      1.00000
    118      -9.7851      1.00000
    119      -9.7822      1.00000
    120      -9.7310      1.00000
    121      -9.7307      1.00000
    122      -9.6980      1.00000
    123      -9.6942      1.00000
    124      -9.6760      1.00000
    125      -9.6054      1.00000
    126      -9.5982      1.00000
    127      -9.5935      1.00000
    128      -9.5025      1.00000
    129      -9.4957      1.00000
    130      -9.4363      1.00000
    131      -9.4231      1.00000
    132      -9.4087      1.00000
    133      -9.3391      1.00000
    134      -9.3195      1.00000
    135      -9.2734      1.00000
    136      -9.1894      1.00000
    137      -9.1821      1.00000
    138      -9.1757      1.00000
    139      -9.1653      1.00000
    140      -9.1595      1.00000
    141      -9.1459      1.00000
    142      -9.1308      1.00000
    143      -9.1272      1.00000
    144      -9.0882      1.00000
    145      -9.0774      1.00000
    146      -8.9807      1.00000
    147      -8.9677      1.00000
    148      -8.9640      1.00000
    149      -8.8304      1.00000
    150      -8.8215      1.00000
    151      -8.8114      1.00000
    152      -8.7872      1.00000
    153      -8.7759      1.00000
    154      -8.7104      1.00000
    155      -8.4676      1.00000
    156      -8.4610      1.00000
    157      -8.4374      1.00000
    158      -8.4369      1.00000
    159      -8.3515      1.00000
    160      -8.3356      1.00000
    161      -8.3166      1.00000
    162      -8.3065      1.00000
    163      -8.2671      1.00000
    164      -8.2347      1.00000
    165      -8.2319      1.00000
    166      -8.1886      1.00000
    167      -7.9183      1.00000
    168      -7.8802      1.00000
    169      -7.8546      1.00000
    170      -7.7419      1.00000
    171      -7.7383      1.00000
    172      -7.7080      1.00000
    173      -7.6787      1.00000
    174      -7.6507      1.00000
    175      -7.6435      1.00000
    176      -7.6069      1.00000
    177      -7.5939      1.00000
    178      -7.5734      1.00000
    179      -7.0912      1.00000
    180      -7.0878      1.00000
    181      -7.0688      1.00000
    182      -6.8837      1.00000
    183      -6.8781      1.00000
    184      -6.8628      1.00000
    185      -6.8572      1.00000
    186      -6.8170      1.00000
    187      -6.6573      1.00000
    188      -6.6547      1.00000
    189      -6.6345      1.00000
    190      -6.6330      1.00000
    191      -6.5930      1.00000
    192      -6.5879      1.00000
    193      -6.5605      1.00000
    194      -6.5542      1.00000
    195      -6.3457      1.00000
    196      -6.3422      1.00000
    197      -6.1871      1.00000
    198      -6.1817      1.00000
    199      -6.1800      1.00000
    200      -6.1798      1.00000
    201      -6.1697      1.00000
    202      -6.1659      1.00000
    203      -6.1483      1.00000
    204      -6.1425      1.00000
    205      -5.8418      1.00000
    206      -5.8273      1.00000
    207      -5.8086      1.00000
    208      -5.7981      1.00000
    209      -5.7940      1.00000
    210      -5.7633      1.00000
    211      -5.6839      1.00000
    212      -5.6698      1.00000
    213      -5.6641      1.00000
    214      -5.6529      1.00000
    215      -5.6486      1.00000
    216      -5.5878      1.00000
    217      -5.5690      1.00000
    218      -5.5645      1.00000
    219      -5.5544      1.00000
    220      -5.5436      1.00000
    221      -5.4208      1.00000
    222      -5.4176      1.00000
    223      -5.4057      1.00000
    224      -5.3348      1.00000
    225      -5.3333      1.00000
    226      -5.3330      1.00000
    227      -5.2031      1.00000
    228      -5.1983      1.00000
    229      -5.1735      1.00000
    230      -5.0923      1.00000
    231      -5.0915      1.00000
    232      -5.0913      1.00000
    233      -1.8894      0.00000
    234      -1.8568      0.00000
    235      -1.7153      0.00000
    236      -1.6656      0.00000
    237      -1.6520      0.00000
    238      -1.6068      0.00000
    239      -0.7142      0.00000
    240      -0.6343      0.00000
    241      -0.3730      0.00000
    242      -0.3419      0.00000
    243      -0.2083      0.00000
    244      -0.2000      0.00000
    245      -0.1901      0.00000
    246      -0.1891      0.00000
    247      -0.1695      0.00000
    248      -0.1676      0.00000
    249      -0.1580      0.00000
    250      -0.1537      0.00000
    251      -0.0529      0.00000
    252      -0.0058      0.00000
    253       0.1114      0.00000
    254       0.1159      0.00000
    255       0.1266      0.00000
    256       0.1428      0.00000
    257       0.1710      0.00000
    258       0.1893      0.00000
    259       0.1914      0.00000
    260       0.4615      0.00000
    261       0.7594      0.00000
    262       0.7888      0.00000
    263       0.8143      0.00000
    264       0.8313      0.00000
    265       0.8867      0.00000
    266       0.9499      0.00000
    267       1.1071      0.00000
    268       1.1451      0.00000
    269       1.2050      0.00000
    270       1.3275      0.00000
    271       1.4458      0.00000
    272       1.5456      0.00000
    273       1.5684      0.00000
    274       1.6223      0.00000
    275       1.6411      0.00000
    276       1.7201      0.00000
    277       1.7461      0.00000
    278       1.7746      0.00000
    279       1.8248      0.00000
    280       1.8535      0.00000
    281       1.8601      0.00000
    282       1.9052      0.00000
    283       1.9365      0.00000
    284       1.9710      0.00000
    285       2.0068      0.00000
    286       2.0517      0.00000
    287       2.0826      0.00000
    288       2.1085      0.00000
    289       2.1321      0.00000
    290       2.1917      0.00000

 k-point     5 :       0.5000    0.2500   -0.0000
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9460      1.00000
     12     -25.9458      1.00000
     13     -25.9440      1.00000
     14     -25.9436      1.00000
     15     -25.7759      1.00000
     16     -25.7744      1.00000
     17     -25.7367      1.00000
     18     -25.7365      1.00000
     19     -25.7349      1.00000
     20     -25.7345      1.00000
     21     -23.7515      1.00000
     22     -23.7515      1.00000
     23     -23.7510      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7072      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5177      1.00000
     30     -23.5176      1.00000
     31     -23.5174      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3734      1.00000
     36     -20.3720      1.00000
     37     -20.3715      1.00000
     38     -20.0983      1.00000
     39     -20.0967      1.00000
     40     -20.0962      1.00000
     41     -18.0626      1.00000
     42     -18.0527      1.00000
     43     -18.0509      1.00000
     44     -17.8814      1.00000
     45     -17.8727      1.00000
     46     -17.8710      1.00000
     47     -17.4515      1.00000
     48     -17.4514      1.00000
     49     -17.4507      1.00000
     50     -17.2276      1.00000
     51     -17.2271      1.00000
     52     -17.2268      1.00000
     53     -15.4072      1.00000
     54     -15.3608      1.00000
     55     -15.3547      1.00000
     56     -15.3444      1.00000
     57     -15.3171      1.00000
     58     -15.3064      1.00000
     59     -13.9531      1.00000
     60     -13.9514      1.00000
     61     -13.9402      1.00000
     62     -13.7157      1.00000
     63     -13.7045      1.00000
     64     -13.7019      1.00000
     65     -13.5221      1.00000
     66     -13.4065      1.00000
     67     -13.3928      1.00000
     68     -13.3530      1.00000
     69     -13.2875      1.00000
     70     -13.2612      1.00000
     71     -12.6810      1.00000
     72     -12.6333      1.00000
     73     -12.6295      1.00000
     74     -12.4848      1.00000
     75     -12.4595      1.00000
     76     -12.4540      1.00000
     77     -11.8709      1.00000
     78     -11.8499      1.00000
     79     -11.7961      1.00000
     80     -11.7621      1.00000
     81     -11.7448      1.00000
     82     -11.6846      1.00000
     83     -11.6752      1.00000
     84     -11.6490      1.00000
     85     -11.6189      1.00000
     86     -11.6133      1.00000
     87     -11.6084      1.00000
     88     -11.5802      1.00000
     89     -11.4934      1.00000
     90     -11.4550      1.00000
     91     -11.4053      1.00000
     92     -11.3157      1.00000
     93     -11.2153      1.00000
     94     -11.1997      1.00000
     95     -10.8315      1.00000
     96     -10.8210      1.00000
     97     -10.8197      1.00000
     98     -10.7611      1.00000
     99     -10.7373      1.00000
    100     -10.7328      1.00000
    101     -10.2069      1.00000
    102     -10.1656      1.00000
    103     -10.0980      1.00000
    104     -10.0967      1.00000
    105     -10.0802      1.00000
    106     -10.0709      1.00000
    107     -10.0533      1.00000
    108     -10.0516      1.00000
    109     -10.0140      1.00000
    110     -10.0132      1.00000
    111      -9.8663      1.00000
    112      -9.8301      1.00000
    113      -9.8215      1.00000
    114      -9.8205      1.00000
    115      -9.8146      1.00000
    116      -9.8029      1.00000
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    120      -9.7310      1.00000
    121      -9.7307      1.00000
    122      -9.6979      1.00000
    123      -9.6943      1.00000
    124      -9.6760      1.00000
    125      -9.6053      1.00000
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    128      -9.5025      1.00000
    129      -9.4957      1.00000
    130      -9.4363      1.00000
    131      -9.4230      1.00000
    132      -9.4088      1.00000
    133      -9.3390      1.00000
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    138      -9.1757      1.00000
    139      -9.1656      1.00000
    140      -9.1593      1.00000
    141      -9.1459      1.00000
    142      -9.1308      1.00000
    143      -9.1273      1.00000
    144      -9.0882      1.00000
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    150      -8.8216      1.00000
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    185      -6.8573      1.00000
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    187      -6.6572      1.00000
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    205      -5.8419      1.00000
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    214      -5.6528      1.00000
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    218      -5.5643      1.00000
    219      -5.5543      1.00000
    220      -5.5437      1.00000
    221      -5.4208      1.00000
    222      -5.4176      1.00000
    223      -5.4057      1.00000
    224      -5.3347      1.00000
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    232      -5.0914      1.00000
    233      -1.8892      0.00000
    234      -1.8569      0.00000
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    236      -1.6655      0.00000
    237      -1.6523      0.00000
    238      -1.6068      0.00000
    239      -0.7141      0.00000
    240      -0.6344      0.00000
    241      -0.3730      0.00000
    242      -0.3419      0.00000
    243      -0.2083      0.00000
    244      -0.2000      0.00000
    245      -0.1901      0.00000
    246      -0.1891      0.00000
    247      -0.1694      0.00000
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    249      -0.1580      0.00000
    250      -0.1538      0.00000
    251      -0.0528      0.00000
    252      -0.0057      0.00000
    253       0.1113      0.00000
    254       0.1159      0.00000
    255       0.1265      0.00000
    256       0.1429      0.00000
    257       0.1710      0.00000
    258       0.1892      0.00000
    259       0.1916      0.00000
    260       0.4615      0.00000
    261       0.7593      0.00000
    262       0.7888      0.00000
    263       0.8144      0.00000
    264       0.8313      0.00000
    265       0.8864      0.00000
    266       0.9501      0.00000
    267       1.1073      0.00000
    268       1.1448      0.00000
    269       1.2052      0.00000
    270       1.3275      0.00000
    271       1.4457      0.00000
    272       1.5454      0.00000
    273       1.5686      0.00000
    274       1.6221      0.00000
    275       1.6414      0.00000
    276       1.7200      0.00000
    277       1.7461      0.00000
    278       1.7747      0.00000
    279       1.8249      0.00000
    280       1.8536      0.00000
    281       1.8598      0.00000
    282       1.9051      0.00000
    283       1.9365      0.00000
    284       1.9710      0.00000
    285       2.0068      0.00000
    286       2.0517      0.00000
    287       2.0828      0.00000
    288       2.1082      0.00000
    289       2.1323      0.00000
    290       2.1915      0.00000

 k-point     6 :       0.5000    0.0000   -0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9755      1.00000
     10     -25.9738      1.00000
     11     -25.9461      1.00000
     12     -25.9457      1.00000
     13     -25.9440      1.00000
     14     -25.9437      1.00000
     15     -25.7759      1.00000
     16     -25.7744      1.00000
     17     -25.7368      1.00000
     18     -25.7364      1.00000
     19     -25.7348      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7514      1.00000
     23     -23.7509      1.00000
     24     -23.7508      1.00000
     25     -23.7077      1.00000
     26     -23.7072      1.00000
     27     -23.5707      1.00000
     28     -23.5703      1.00000
     29     -23.5178      1.00000
     30     -23.5176      1.00000
     31     -23.5173      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3735      1.00000
     36     -20.3719      1.00000
     37     -20.3716      1.00000
     38     -20.0983      1.00000
     39     -20.0966      1.00000
     40     -20.0964      1.00000
     41     -18.0626      1.00000
     42     -18.0526      1.00000
     43     -18.0510      1.00000
     44     -17.8814      1.00000
     45     -17.8726      1.00000
     46     -17.8711      1.00000
     47     -17.4516      1.00000
     48     -17.4513      1.00000
     49     -17.4507      1.00000
     50     -17.2276      1.00000
     51     -17.2270      1.00000
     52     -17.2269      1.00000
     53     -15.4072      1.00000
     54     -15.3606      1.00000
     55     -15.3549      1.00000
     56     -15.3444      1.00000
     57     -15.3171      1.00000
     58     -15.3065      1.00000
     59     -13.9532      1.00000
     60     -13.9513      1.00000
     61     -13.9402      1.00000
     62     -13.7157      1.00000
     63     -13.7044      1.00000
     64     -13.7020      1.00000
     65     -13.5222      1.00000
     66     -13.4063      1.00000
     67     -13.3929      1.00000
     68     -13.3530      1.00000
     69     -13.2874      1.00000
     70     -13.2613      1.00000
     71     -12.6810      1.00000
     72     -12.6332      1.00000
     73     -12.6296      1.00000
     74     -12.4849      1.00000
     75     -12.4594      1.00000
     76     -12.4541      1.00000
     77     -11.8709      1.00000
     78     -11.8497      1.00000
     79     -11.7962      1.00000
     80     -11.7620      1.00000
     81     -11.7448      1.00000
     82     -11.6847      1.00000
     83     -11.6752      1.00000
     84     -11.6489      1.00000
     85     -11.6188      1.00000
     86     -11.6133      1.00000
     87     -11.6083      1.00000
     88     -11.5802      1.00000
     89     -11.4935      1.00000
     90     -11.4550      1.00000
     91     -11.4054      1.00000
     92     -11.3157      1.00000
     93     -11.2152      1.00000
     94     -11.1997      1.00000
     95     -10.8315      1.00000
     96     -10.8209      1.00000
     97     -10.8198      1.00000
     98     -10.7612      1.00000
     99     -10.7373      1.00000
    100     -10.7329      1.00000
    101     -10.2070      1.00000
    102     -10.1656      1.00000
    103     -10.0981      1.00000
    104     -10.0966      1.00000
    105     -10.0802      1.00000
    106     -10.0710      1.00000
    107     -10.0532      1.00000
    108     -10.0516      1.00000
    109     -10.0139      1.00000
    110     -10.0132      1.00000
    111      -9.8663      1.00000
    112      -9.8301      1.00000
    113      -9.8214      1.00000
    114      -9.8204      1.00000
    115      -9.8147      1.00000
    116      -9.8029      1.00000
    117      -9.7958      1.00000
    118      -9.7851      1.00000
    119      -9.7822      1.00000
    120      -9.7310      1.00000
    121      -9.7307      1.00000
    122      -9.6980      1.00000
    123      -9.6942      1.00000
    124      -9.6760      1.00000
    125      -9.6054      1.00000
    126      -9.5982      1.00000
    127      -9.5935      1.00000
    128      -9.5025      1.00000
    129      -9.4957      1.00000
    130      -9.4363      1.00000
    131      -9.4231      1.00000
    132      -9.4087      1.00000
    133      -9.3391      1.00000
    134      -9.3195      1.00000
    135      -9.2734      1.00000
    136      -9.1894      1.00000
    137      -9.1821      1.00000
    138      -9.1757      1.00000
    139      -9.1654      1.00000
    140      -9.1594      1.00000
    141      -9.1459      1.00000
    142      -9.1308      1.00000
    143      -9.1273      1.00000
    144      -9.0882      1.00000
    145      -9.0774      1.00000
    146      -8.9807      1.00000
    147      -8.9677      1.00000
    148      -8.9640      1.00000
    149      -8.8304      1.00000
    150      -8.8215      1.00000
    151      -8.8114      1.00000
    152      -8.7872      1.00000
    153      -8.7759      1.00000
    154      -8.7104      1.00000
    155      -8.4676      1.00000
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    157      -8.4374      1.00000
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    182      -6.8837      1.00000
    183      -6.8781      1.00000
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    185      -6.8572      1.00000
    186      -6.8170      1.00000
    187      -6.6573      1.00000
    188      -6.6547      1.00000
    189      -6.6345      1.00000
    190      -6.6330      1.00000
    191      -6.5930      1.00000
    192      -6.5879      1.00000
    193      -6.5605      1.00000
    194      -6.5542      1.00000
    195      -6.3457      1.00000
    196      -6.3422      1.00000
    197      -6.1871      1.00000
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    200      -6.1798      1.00000
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    202      -6.1659      1.00000
    203      -6.1483      1.00000
    204      -6.1425      1.00000
    205      -5.8418      1.00000
    206      -5.8273      1.00000
    207      -5.8085      1.00000
    208      -5.7982      1.00000
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    211      -5.6839      1.00000
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    214      -5.6529      1.00000
    215      -5.6486      1.00000
    216      -5.5878      1.00000
    217      -5.5690      1.00000
    218      -5.5644      1.00000
    219      -5.5544      1.00000
    220      -5.5436      1.00000
    221      -5.4208      1.00000
    222      -5.4176      1.00000
    223      -5.4057      1.00000
    224      -5.3348      1.00000
    225      -5.3332      1.00000
    226      -5.3330      1.00000
    227      -5.2031      1.00000
    228      -5.1983      1.00000
    229      -5.1735      1.00000
    230      -5.0923      1.00000
    231      -5.0915      1.00000
    232      -5.0913      1.00000
    233      -1.8894      0.00000
    234      -1.8568      0.00000
    235      -1.7153      0.00000
    236      -1.6656      0.00000
    237      -1.6521      0.00000
    238      -1.6068      0.00000
    239      -0.7142      0.00000
    240      -0.6344      0.00000
    241      -0.3730      0.00000
    242      -0.3419      0.00000
    243      -0.2084      0.00000
    244      -0.2000      0.00000
    245      -0.1901      0.00000
    246      -0.1892      0.00000
    247      -0.1695      0.00000
    248      -0.1677      0.00000
    249      -0.1580      0.00000
    250      -0.1537      0.00000
    251      -0.0528      0.00000
    252      -0.0057      0.00000
    253       0.1114      0.00000
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    255       0.1266      0.00000
    256       0.1429      0.00000
    257       0.1710      0.00000
    258       0.1893      0.00000
    259       0.1915      0.00000
    260       0.4615      0.00000
    261       0.7593      0.00000
    262       0.7888      0.00000
    263       0.8144      0.00000
    264       0.8313      0.00000
    265       0.8865      0.00000
    266       0.9500      0.00000
    267       1.1073      0.00000
    268       1.1448      0.00000
    269       1.2052      0.00000
    270       1.3275      0.00000
    271       1.4457      0.00000
    272       1.5454      0.00000
    273       1.5686      0.00000
    274       1.6221      0.00000
    275       1.6414      0.00000
    276       1.7200      0.00000
    277       1.7461      0.00000
    278       1.7747      0.00000
    279       1.8249      0.00000
    280       1.8536      0.00000
    281       1.8599      0.00000
    282       1.9051      0.00000
    283       1.9365      0.00000
    284       1.9710      0.00000
    285       2.0067      0.00000
    286       2.0518      0.00000
    287       2.0827      0.00000
    288       2.1083      0.00000
    289       2.1324      0.00000
    290       2.1916      0.00000

 k-point     7 :       0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9453      1.00000
     13     -25.9445      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7367      1.00000
     18     -25.7360      1.00000
     19     -25.7353      1.00000
     20     -25.7345      1.00000
     21     -23.7515      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7508      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5177      1.00000
     30     -23.5175      1.00000
     31     -23.5175      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3730      1.00000
     36     -20.3724      1.00000
     37     -20.3716      1.00000
     38     -20.0978      1.00000
     39     -20.0971      1.00000
     40     -20.0963      1.00000
     41     -18.0600      1.00000
     42     -18.0556      1.00000
     43     -18.0510      1.00000
     44     -17.8788      1.00000
     45     -17.8750      1.00000
     46     -17.8711      1.00000
     47     -17.4515      1.00000
     48     -17.4512      1.00000
     49     -17.4508      1.00000
     50     -17.2274      1.00000
     51     -17.2272      1.00000
     52     -17.2269      1.00000
     53     -15.4019      1.00000
     54     -15.3809      1.00000
     55     -15.3535      1.00000
     56     -15.3282      1.00000
     57     -15.3202      1.00000
     58     -15.3056      1.00000
     59     -13.9536      1.00000
     60     -13.9483      1.00000
     61     -13.9433      1.00000
     62     -13.7111      1.00000
     63     -13.7068      1.00000
     64     -13.7018      1.00000
     65     -13.5099      1.00000
     66     -13.4580      1.00000
     67     -13.3878      1.00000
     68     -13.3130      1.00000
     69     -13.2955      1.00000
     70     -13.2585      1.00000
     71     -12.6708      1.00000
     72     -12.6496      1.00000
     73     -12.6301      1.00000
     74     -12.4761      1.00000
     75     -12.4647      1.00000
     76     -12.4533      1.00000
     77     -11.8823      1.00000
     78     -11.8393      1.00000
     79     -11.8034      1.00000
     80     -11.7514      1.00000
     81     -11.7380      1.00000
     82     -11.6965      1.00000
     83     -11.6869      1.00000
     84     -11.6529      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5366      1.00000
     90     -11.4642      1.00000
     91     -11.4216      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
     94     -11.1963      1.00000
     95     -10.8285      1.00000
     96     -10.8242      1.00000
     97     -10.8198      1.00000
     98     -10.7546      1.00000
     99     -10.7437      1.00000
    100     -10.7329      1.00000
    101     -10.1973      1.00000
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    105     -10.0828      1.00000
    106     -10.0771      1.00000
    107     -10.0438      1.00000
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    233      -1.8948      0.00000
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    242      -0.3466      0.00000
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    255       0.1119      0.00000
    256       0.1397      0.00000
    257       0.1767      0.00000
    258       0.1858      0.00000
    259       0.1914      0.00000
    260       0.5813      0.00000
    261       0.7216      0.00000
    262       0.7364      0.00000
    263       0.8343      0.00000
    264       0.8472      0.00000
    265       0.8815      0.00000
    266       0.9441      0.00000
    267       1.0877      0.00000
    268       1.1786      0.00000
    269       1.2678      0.00000
    270       1.3231      0.00000
    271       1.3695      0.00000
    272       1.5348      0.00000
    273       1.5558      0.00000
    274       1.6072      0.00000
    275       1.6273      0.00000
    276       1.7295      0.00000
    277       1.7619      0.00000
    278       1.7822      0.00000
    279       1.8101      0.00000
    280       1.8652      0.00000
    281       1.8770      0.00000
    282       1.9041      0.00000
    283       1.9520      0.00000
    284       1.9647      0.00000
    285       2.0014      0.00000
    286       2.0243      0.00000
    287       2.0625      0.00000
    288       2.0816      0.00000
    289       2.1984      0.00000
    290       2.2145      0.00000

 k-point     8 :       0.5000   -0.2500    0.5000
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9452      1.00000
     13     -25.9444      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7368      1.00000
     18     -25.7359      1.00000
     19     -25.7353      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7509      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5178      1.00000
     30     -23.5175      1.00000
     31     -23.5174      1.00000
     32     -23.5173      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3731      1.00000
     36     -20.3722      1.00000
     37     -20.3716      1.00000
     38     -20.0979      1.00000
     39     -20.0970      1.00000
     40     -20.0964      1.00000
     41     -18.0600      1.00000
     42     -18.0554      1.00000
     43     -18.0510      1.00000
     44     -17.8789      1.00000
     45     -17.8749      1.00000
     46     -17.8711      1.00000
     47     -17.4516      1.00000
     48     -17.4511      1.00000
     49     -17.4509      1.00000
     50     -17.2275      1.00000
     51     -17.2271      1.00000
     52     -17.2269      1.00000
     53     -15.4020      1.00000
     54     -15.3807      1.00000
     55     -15.3537      1.00000
     56     -15.3281      1.00000
     57     -15.3202      1.00000
     58     -15.3056      1.00000
     59     -13.9536      1.00000
     60     -13.9482      1.00000
     61     -13.9433      1.00000
     62     -13.7112      1.00000
     63     -13.7067      1.00000
     64     -13.7018      1.00000
     65     -13.5100      1.00000
     66     -13.4579      1.00000
     67     -13.3879      1.00000
     68     -13.3130      1.00000
     69     -13.2955      1.00000
     70     -13.2584      1.00000
     71     -12.6708      1.00000
     72     -12.6494      1.00000
     73     -12.6303      1.00000
     74     -12.4761      1.00000
     75     -12.4647      1.00000
     76     -12.4533      1.00000
     77     -11.8823      1.00000
     78     -11.8391      1.00000
     79     -11.8036      1.00000
     80     -11.7513      1.00000
     81     -11.7380      1.00000
     82     -11.6966      1.00000
     83     -11.6868      1.00000
     84     -11.6529      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5366      1.00000
     90     -11.4640      1.00000
     91     -11.4217      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
     94     -11.1963      1.00000
     95     -10.8286      1.00000
     96     -10.8240      1.00000
     97     -10.8199      1.00000
     98     -10.7546      1.00000
     99     -10.7436      1.00000
    100     -10.7329      1.00000
    101     -10.1973      1.00000
    102     -10.1805      1.00000
    103     -10.1020      1.00000
    104     -10.0907      1.00000
    105     -10.0828      1.00000
    106     -10.0771      1.00000
    107     -10.0437      1.00000
    108     -10.0372      1.00000
    109     -10.0205      1.00000
    110     -10.0172      1.00000
    111      -9.8526      1.00000
    112      -9.8393      1.00000
    113      -9.8330      1.00000
    114      -9.8273      1.00000
    115      -9.8149      1.00000
    116      -9.8029      1.00000
    117      -9.7957      1.00000
    118      -9.7681      1.00000
    119      -9.7639      1.00000
    120      -9.7384      1.00000
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    122      -9.7046      1.00000
    123      -9.7014      1.00000
    124      -9.6877      1.00000
    125      -9.6051      1.00000
    126      -9.5963      1.00000
    127      -9.5922      1.00000
    128      -9.5011      1.00000
    129      -9.4800      1.00000
    130      -9.4541      1.00000
    131      -9.4114      1.00000
    132      -9.3970      1.00000
    133      -9.3568      1.00000
    134      -9.3139      1.00000
    135      -9.2576      1.00000
    136      -9.2179      1.00000
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    138      -9.1768      1.00000
    139      -9.1673      1.00000
    140      -9.1592      1.00000
    141      -9.1527      1.00000
    142      -9.1181      1.00000
    143      -9.1041      1.00000
    144      -9.1005      1.00000
    145      -9.0784      1.00000
    146      -8.9780      1.00000
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    148      -8.9633      1.00000
    149      -8.8349      1.00000
    150      -8.8181      1.00000
    151      -8.8032      1.00000
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    188      -6.6503      1.00000
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    192      -6.5820      1.00000
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    220      -5.5400      1.00000
    221      -5.4194      1.00000
    222      -5.4143      1.00000
    223      -5.4110      1.00000
    224      -5.3343      1.00000
    225      -5.3335      1.00000
    226      -5.3335      1.00000
    227      -5.2031      1.00000
    228      -5.1921      1.00000
    229      -5.1811      1.00000
    230      -5.0924      1.00000
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    232      -5.0915      1.00000
    233      -1.8949      0.00000
    234      -1.8124      0.00000
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    236      -1.6978      0.00000
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    238      -1.6179      0.00000
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    242      -0.3466      0.00000
    243      -0.3162      0.00000
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    246      -0.1916      0.00000
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    252       0.0294      0.00000
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    255       0.1119      0.00000
    256       0.1397      0.00000
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    261       0.7216      0.00000
    262       0.7363      0.00000
    263       0.8343      0.00000
    264       0.8471      0.00000
    265       0.8814      0.00000
    266       0.9442      0.00000
    267       1.0878      0.00000
    268       1.1787      0.00000
    269       1.2677      0.00000
    270       1.3231      0.00000
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    274       1.6071      0.00000
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    276       1.7295      0.00000
    277       1.7618      0.00000
    278       1.7822      0.00000
    279       1.8101      0.00000
    280       1.8653      0.00000
    281       1.8770      0.00000
    282       1.9042      0.00000
    283       1.9519      0.00000
    284       1.9646      0.00000
    285       2.0015      0.00000
    286       2.0243      0.00000
    287       2.0625      0.00000
    288       2.0817      0.00000
    289       2.1984      0.00000
    290       2.2145      0.00000

 k-point     9 :       0.5000    0.5000    0.2500
  band No.  band energies     occupation 
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      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9452      1.00000
     13     -25.9445      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7368      1.00000
     18     -25.7360      1.00000
     19     -25.7353      1.00000
     20     -25.7345      1.00000
     21     -23.7516      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7508      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5177      1.00000
     30     -23.5175      1.00000
     31     -23.5175      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3730      1.00000
     36     -20.3723      1.00000
     37     -20.3716      1.00000
     38     -20.0978      1.00000
     39     -20.0971      1.00000
     40     -20.0963      1.00000
     41     -18.0600      1.00000
     42     -18.0555      1.00000
     43     -18.0510      1.00000
     44     -17.8788      1.00000
     45     -17.8750      1.00000
     46     -17.8711      1.00000
     47     -17.4515      1.00000
     48     -17.4512      1.00000
     49     -17.4508      1.00000
     50     -17.2274      1.00000
     51     -17.2272      1.00000
     52     -17.2269      1.00000
     53     -15.4019      1.00000
     54     -15.3808      1.00000
     55     -15.3537      1.00000
     56     -15.3281      1.00000
     57     -15.3203      1.00000
     58     -15.3055      1.00000
     59     -13.9536      1.00000
     60     -13.9483      1.00000
     61     -13.9433      1.00000
     62     -13.7111      1.00000
     63     -13.7068      1.00000
     64     -13.7018      1.00000
     65     -13.5099      1.00000
     66     -13.4579      1.00000
     67     -13.3879      1.00000
     68     -13.3129      1.00000
     69     -13.2956      1.00000
     70     -13.2584      1.00000
     71     -12.6708      1.00000
     72     -12.6494      1.00000
     73     -12.6302      1.00000
     74     -12.4761      1.00000
     75     -12.4647      1.00000
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     77     -11.8823      1.00000
     78     -11.8392      1.00000
     79     -11.8035      1.00000
     80     -11.7513      1.00000
     81     -11.7380      1.00000
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     83     -11.6868      1.00000
     84     -11.6530      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5366      1.00000
     90     -11.4640      1.00000
     91     -11.4217      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
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     95     -10.8286      1.00000
     96     -10.8241      1.00000
     97     -10.8198      1.00000
     98     -10.7546      1.00000
     99     -10.7437      1.00000
    100     -10.7329      1.00000
    101     -10.1973      1.00000
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    105     -10.0828      1.00000
    106     -10.0771      1.00000
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    258       0.1857      0.00000
    259       0.1913      0.00000
    260       0.5813      0.00000
    261       0.7216      0.00000
    262       0.7363      0.00000
    263       0.8343      0.00000
    264       0.8471      0.00000
    265       0.8815      0.00000
    266       0.9442      0.00000
    267       1.0878      0.00000
    268       1.1787      0.00000
    269       1.2677      0.00000
    270       1.3231      0.00000
    271       1.3693      0.00000
    272       1.5348      0.00000
    273       1.5558      0.00000
    274       1.6071      0.00000
    275       1.6274      0.00000
    276       1.7295      0.00000
    277       1.7618      0.00000
    278       1.7822      0.00000
    279       1.8102      0.00000
    280       1.8653      0.00000
    281       1.8769      0.00000
    282       1.9042      0.00000
    283       1.9519      0.00000
    284       1.9647      0.00000
    285       2.0016      0.00000
    286       2.0244      0.00000
    287       2.0625      0.00000
    288       2.0817      0.00000
    289       2.1984      0.00000
    290       2.2145      0.00000

 k-point    10 :      -0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9453      1.00000
     13     -25.9445      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7367      1.00000
     18     -25.7360      1.00000
     19     -25.7353      1.00000
     20     -25.7345      1.00000
     21     -23.7515      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7508      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5177      1.00000
     30     -23.5175      1.00000
     31     -23.5175      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3730      1.00000
     36     -20.3724      1.00000
     37     -20.3716      1.00000
     38     -20.0978      1.00000
     39     -20.0971      1.00000
     40     -20.0963      1.00000
     41     -18.0600      1.00000
     42     -18.0556      1.00000
     43     -18.0510      1.00000
     44     -17.8788      1.00000
     45     -17.8750      1.00000
     46     -17.8711      1.00000
     47     -17.4515      1.00000
     48     -17.4512      1.00000
     49     -17.4508      1.00000
     50     -17.2274      1.00000
     51     -17.2272      1.00000
     52     -17.2269      1.00000
     53     -15.4019      1.00000
     54     -15.3808      1.00000
     55     -15.3537      1.00000
     56     -15.3281      1.00000
     57     -15.3203      1.00000
     58     -15.3055      1.00000
     59     -13.9536      1.00000
     60     -13.9483      1.00000
     61     -13.9433      1.00000
     62     -13.7111      1.00000
     63     -13.7068      1.00000
     64     -13.7018      1.00000
     65     -13.5099      1.00000
     66     -13.4580      1.00000
     67     -13.3879      1.00000
     68     -13.3129      1.00000
     69     -13.2956      1.00000
     70     -13.2584      1.00000
     71     -12.6708      1.00000
     72     -12.6495      1.00000
     73     -12.6302      1.00000
     74     -12.4761      1.00000
     75     -12.4647      1.00000
     76     -12.4533      1.00000
     77     -11.8823      1.00000
     78     -11.8393      1.00000
     79     -11.8035      1.00000
     80     -11.7513      1.00000
     81     -11.7380      1.00000
     82     -11.6966      1.00000
     83     -11.6869      1.00000
     84     -11.6530      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5365      1.00000
     90     -11.4641      1.00000
     91     -11.4217      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
     94     -11.1963      1.00000
     95     -10.8285      1.00000
     96     -10.8241      1.00000
     97     -10.8198      1.00000
     98     -10.7546      1.00000
     99     -10.7437      1.00000
    100     -10.7329      1.00000
    101     -10.1973      1.00000
    102     -10.1806      1.00000
    103     -10.1020      1.00000
    104     -10.0907      1.00000
    105     -10.0828      1.00000
    106     -10.0771      1.00000
    107     -10.0437      1.00000
    108     -10.0373      1.00000
    109     -10.0205      1.00000
    110     -10.0172      1.00000
    111      -9.8525      1.00000
    112      -9.8393      1.00000
    113      -9.8331      1.00000
    114      -9.8273      1.00000
    115      -9.8148      1.00000
    116      -9.8029      1.00000
    117      -9.7958      1.00000
    118      -9.7680      1.00000
    119      -9.7639      1.00000
    120      -9.7384      1.00000
    121      -9.7312      1.00000
    122      -9.7046      1.00000
    123      -9.7014      1.00000
    124      -9.6877      1.00000
    125      -9.6050      1.00000
    126      -9.5965      1.00000
    127      -9.5921      1.00000
    128      -9.5011      1.00000
    129      -9.4800      1.00000
    130      -9.4541      1.00000
    131      -9.4114      1.00000
    132      -9.3971      1.00000
    133      -9.3567      1.00000
    134      -9.3139      1.00000
    135      -9.2576      1.00000
    136      -9.2178      1.00000
    137      -9.1812      1.00000
    138      -9.1768      1.00000
    139      -9.1674      1.00000
    140      -9.1591      1.00000
    141      -9.1527      1.00000
    142      -9.1181      1.00000
    143      -9.1042      1.00000
    144      -9.1004      1.00000
    145      -9.0784      1.00000
    146      -8.9779      1.00000
    147      -8.9719      1.00000
    148      -8.9632      1.00000
    149      -8.8348      1.00000
    150      -8.8182      1.00000
    151      -8.8032      1.00000
    152      -8.7917      1.00000
    153      -8.7624      1.00000
    154      -8.7368      1.00000
    155      -8.4851      1.00000
    156      -8.4750      1.00000
    157      -8.4295      1.00000
    158      -8.4212      1.00000
    159      -8.3626      1.00000
    160      -8.3328      1.00000
    161      -8.3139      1.00000
    162      -8.2828      1.00000
    163      -8.2678      1.00000
    164      -8.2546      1.00000
    165      -8.2104      1.00000
    166      -8.1813      1.00000
    167      -7.8875      1.00000
    168      -7.8829      1.00000
    169      -7.8557      1.00000
    170      -7.7955      1.00000
    171      -7.7575      1.00000
    172      -7.6882      1.00000
    173      -7.6839      1.00000
    174      -7.6550      1.00000
    175      -7.6323      1.00000
    176      -7.6020      1.00000
    177      -7.5967      1.00000
    178      -7.5652      1.00000
    179      -7.0906      1.00000
    180      -7.0824      1.00000
    181      -7.0742      1.00000
    182      -6.8817      1.00000
    183      -6.8781      1.00000
    184      -6.8616      1.00000
    185      -6.8446      1.00000
    186      -6.8292      1.00000
    187      -6.6582      1.00000
    188      -6.6503      1.00000
    189      -6.6379      1.00000
    190      -6.6332      1.00000
    191      -6.5943      1.00000
    192      -6.5821      1.00000
    193      -6.5671      1.00000
    194      -6.5536      1.00000
    195      -6.3454      1.00000
    196      -6.3419      1.00000
    197      -6.1899      1.00000
    198      -6.1839      1.00000
    199      -6.1804      1.00000
    200      -6.1777      1.00000
    201      -6.1698      1.00000
    202      -6.1627      1.00000
    203      -6.1471      1.00000
    204      -6.1423      1.00000
    205      -5.8424      1.00000
    206      -5.8207      1.00000
    207      -5.8160      1.00000
    208      -5.8027      1.00000
    209      -5.7974      1.00000
    210      -5.7713      1.00000
    211      -5.6900      1.00000
    212      -5.6703      1.00000
    213      -5.6622      1.00000
    214      -5.6345      1.00000
    215      -5.6294      1.00000
    216      -5.5979      1.00000
    217      -5.5726      1.00000
    218      -5.5684      1.00000
    219      -5.5545      1.00000
    220      -5.5401      1.00000
    221      -5.4193      1.00000
    222      -5.4144      1.00000
    223      -5.4110      1.00000
    224      -5.3342      1.00000
    225      -5.3337      1.00000
    226      -5.3334      1.00000
    227      -5.2031      1.00000
    228      -5.1922      1.00000
    229      -5.1811      1.00000
    230      -5.0923      1.00000
    231      -5.0920      1.00000
    232      -5.0915      1.00000
    233      -1.8948      0.00000
    234      -1.8124      0.00000
    235      -1.7162      0.00000
    236      -1.6978      0.00000
    237      -1.6636      0.00000
    238      -1.6178      0.00000
    239      -0.7158      0.00000
    240      -0.5161      0.00000
    241      -0.3683      0.00000
    242      -0.3466      0.00000
    243      -0.3162      0.00000
    244      -0.1964      0.00000
    245      -0.1953      0.00000
    246      -0.1916      0.00000
    247      -0.1881      0.00000
    248      -0.1696      0.00000
    249      -0.1650      0.00000
    250      -0.1603      0.00000
    251      -0.0562      0.00000
    252       0.0295      0.00000
    253       0.0923      0.00000
    254       0.1077      0.00000
    255       0.1120      0.00000
    256       0.1397      0.00000
    257       0.1767      0.00000
    258       0.1857      0.00000
    259       0.1914      0.00000
    260       0.5813      0.00000
    261       0.7216      0.00000
    262       0.7363      0.00000
    263       0.8343      0.00000
    264       0.8472      0.00000
    265       0.8815      0.00000
    266       0.9441      0.00000
    267       1.0877      0.00000
    268       1.1786      0.00000
    269       1.2678      0.00000
    270       1.3231      0.00000
    271       1.3695      0.00000
    272       1.5348      0.00000
    273       1.5558      0.00000
    274       1.6072      0.00000
    275       1.6273      0.00000
    276       1.7296      0.00000
    277       1.7618      0.00000
    278       1.7823      0.00000
    279       1.8101      0.00000
    280       1.8652      0.00000
    281       1.8770      0.00000
    282       1.9041      0.00000
    283       1.9520      0.00000
    284       1.9647      0.00000
    285       2.0014      0.00000
    286       2.0243      0.00000
    287       2.0624      0.00000
    288       2.0817      0.00000
    289       2.1984      0.00000
    290       2.2145      0.00000

 k-point    11 :      -0.0000   -0.2500    0.5000
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9452      1.00000
     13     -25.9444      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7368      1.00000
     18     -25.7359      1.00000
     19     -25.7353      1.00000
     20     -25.7346      1.00000
     21     -23.7516      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7509      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5178      1.00000
     30     -23.5175      1.00000
     31     -23.5174      1.00000
     32     -23.5173      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3731      1.00000
     36     -20.3722      1.00000
     37     -20.3716      1.00000
     38     -20.0979      1.00000
     39     -20.0970      1.00000
     40     -20.0964      1.00000
     41     -18.0600      1.00000
     42     -18.0554      1.00000
     43     -18.0510      1.00000
     44     -17.8789      1.00000
     45     -17.8749      1.00000
     46     -17.8711      1.00000
     47     -17.4516      1.00000
     48     -17.4511      1.00000
     49     -17.4509      1.00000
     50     -17.2275      1.00000
     51     -17.2271      1.00000
     52     -17.2269      1.00000
     53     -15.4020      1.00000
     54     -15.3807      1.00000
     55     -15.3537      1.00000
     56     -15.3281      1.00000
     57     -15.3203      1.00000
     58     -15.3056      1.00000
     59     -13.9536      1.00000
     60     -13.9482      1.00000
     61     -13.9433      1.00000
     62     -13.7112      1.00000
     63     -13.7067      1.00000
     64     -13.7018      1.00000
     65     -13.5100      1.00000
     66     -13.4579      1.00000
     67     -13.3879      1.00000
     68     -13.3130      1.00000
     69     -13.2955      1.00000
     70     -13.2585      1.00000
     71     -12.6708      1.00000
     72     -12.6494      1.00000
     73     -12.6302      1.00000
     74     -12.4761      1.00000
     75     -12.4646      1.00000
     76     -12.4533      1.00000
     77     -11.8823      1.00000
     78     -11.8391      1.00000
     79     -11.8036      1.00000
     80     -11.7513      1.00000
     81     -11.7380      1.00000
     82     -11.6966      1.00000
     83     -11.6868      1.00000
     84     -11.6529      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5366      1.00000
     90     -11.4641      1.00000
     91     -11.4217      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
     94     -11.1963      1.00000
     95     -10.8286      1.00000
     96     -10.8240      1.00000
     97     -10.8199      1.00000
     98     -10.7546      1.00000
     99     -10.7436      1.00000
    100     -10.7330      1.00000
    101     -10.1973      1.00000
    102     -10.1805      1.00000
    103     -10.1020      1.00000
    104     -10.0907      1.00000
    105     -10.0828      1.00000
    106     -10.0771      1.00000
    107     -10.0437      1.00000
    108     -10.0372      1.00000
    109     -10.0205      1.00000
    110     -10.0172      1.00000
    111      -9.8526      1.00000
    112      -9.8393      1.00000
    113      -9.8330      1.00000
    114      -9.8273      1.00000
    115      -9.8149      1.00000
    116      -9.8029      1.00000
    117      -9.7957      1.00000
    118      -9.7681      1.00000
    119      -9.7639      1.00000
    120      -9.7384      1.00000
    121      -9.7312      1.00000
    122      -9.7046      1.00000
    123      -9.7014      1.00000
    124      -9.6877      1.00000
    125      -9.6051      1.00000
    126      -9.5963      1.00000
    127      -9.5922      1.00000
    128      -9.5011      1.00000
    129      -9.4800      1.00000
    130      -9.4541      1.00000
    131      -9.4114      1.00000
    132      -9.3970      1.00000
    133      -9.3568      1.00000
    134      -9.3139      1.00000
    135      -9.2576      1.00000
    136      -9.2178      1.00000
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    138      -9.1768      1.00000
    139      -9.1673      1.00000
    140      -9.1592      1.00000
    141      -9.1527      1.00000
    142      -9.1181      1.00000
    143      -9.1041      1.00000
    144      -9.1005      1.00000
    145      -9.0784      1.00000
    146      -8.9780      1.00000
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    148      -8.9633      1.00000
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    150      -8.8181      1.00000
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    152      -8.7916      1.00000
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    155      -8.4851      1.00000
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    178      -7.5652      1.00000
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    180      -7.0823      1.00000
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    182      -6.8818      1.00000
    183      -6.8780      1.00000
    184      -6.8617      1.00000
    185      -6.8446      1.00000
    186      -6.8292      1.00000
    187      -6.6582      1.00000
    188      -6.6503      1.00000
    189      -6.6379      1.00000
    190      -6.6332      1.00000
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    192      -6.5820      1.00000
    193      -6.5671      1.00000
    194      -6.5537      1.00000
    195      -6.3454      1.00000
    196      -6.3419      1.00000
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    198      -6.1839      1.00000
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    200      -6.1777      1.00000
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    202      -6.1627      1.00000
    203      -6.1471      1.00000
    204      -6.1423      1.00000
    205      -5.8422      1.00000
    206      -5.8209      1.00000
    207      -5.8163      1.00000
    208      -5.8025      1.00000
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    210      -5.7713      1.00000
    211      -5.6899      1.00000
    212      -5.6704      1.00000
    213      -5.6621      1.00000
    214      -5.6346      1.00000
    215      -5.6293      1.00000
    216      -5.5979      1.00000
    217      -5.5726      1.00000
    218      -5.5684      1.00000
    219      -5.5546      1.00000
    220      -5.5400      1.00000
    221      -5.4194      1.00000
    222      -5.4143      1.00000
    223      -5.4110      1.00000
    224      -5.3344      1.00000
    225      -5.3336      1.00000
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    227      -5.2031      1.00000
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    230      -5.0924      1.00000
    231      -5.0919      1.00000
    232      -5.0914      1.00000
    233      -1.8949      0.00000
    234      -1.8124      0.00000
    235      -1.7162      0.00000
    236      -1.6978      0.00000
    237      -1.6634      0.00000
    238      -1.6179      0.00000
    239      -0.7159      0.00000
    240      -0.5161      0.00000
    241      -0.3683      0.00000
    242      -0.3466      0.00000
    243      -0.3162      0.00000
    244      -0.1964      0.00000
    245      -0.1953      0.00000
    246      -0.1916      0.00000
    247      -0.1881      0.00000
    248      -0.1696      0.00000
    249      -0.1649      0.00000
    250      -0.1604      0.00000
    251      -0.0562      0.00000
    252       0.0294      0.00000
    253       0.0924      0.00000
    254       0.1078      0.00000
    255       0.1119      0.00000
    256       0.1397      0.00000
    257       0.1767      0.00000
    258       0.1858      0.00000
    259       0.1913      0.00000
    260       0.5812      0.00000
    261       0.7216      0.00000
    262       0.7363      0.00000
    263       0.8343      0.00000
    264       0.8472      0.00000
    265       0.8814      0.00000
    266       0.9441      0.00000
    267       1.0878      0.00000
    268       1.1784      0.00000
    269       1.2680      0.00000
    270       1.3231      0.00000
    271       1.3694      0.00000
    272       1.5348      0.00000
    273       1.5558      0.00000
    274       1.6073      0.00000
    275       1.6272      0.00000
    276       1.7294      0.00000
    277       1.7618      0.00000
    278       1.7823      0.00000
    279       1.8101      0.00000
    280       1.8653      0.00000
    281       1.8771      0.00000
    282       1.9041      0.00000
    283       1.9520      0.00000
    284       1.9646      0.00000
    285       2.0015      0.00000
    286       2.0243      0.00000
    287       2.0624      0.00000
    288       2.0817      0.00000
    289       2.1982      0.00000
    290       2.2146      0.00000

 k-point    12 :       0.0000    0.5000    0.2500
  band No.  band energies     occupation 
      1     -65.8350      1.00000
      2     -65.8383      1.00000
      3     -39.9629      1.00000
      4     -39.9628      1.00000
      5     -39.9658      1.00000
      6     -39.9658      1.00000
      7     -39.4231      1.00000
      8     -39.4261      1.00000
      9     -25.9751      1.00000
     10     -25.9743      1.00000
     11     -25.9461      1.00000
     12     -25.9452      1.00000
     13     -25.9445      1.00000
     14     -25.9437      1.00000
     15     -25.7755      1.00000
     16     -25.7748      1.00000
     17     -25.7368      1.00000
     18     -25.7360      1.00000
     19     -25.7353      1.00000
     20     -25.7345      1.00000
     21     -23.7516      1.00000
     22     -23.7513      1.00000
     23     -23.7511      1.00000
     24     -23.7508      1.00000
     25     -23.7075      1.00000
     26     -23.7073      1.00000
     27     -23.5706      1.00000
     28     -23.5704      1.00000
     29     -23.5177      1.00000
     30     -23.5175      1.00000
     31     -23.5175      1.00000
     32     -23.5172      1.00000
     33     -22.0693      1.00000
     34     -22.0685      1.00000
     35     -20.3730      1.00000
     36     -20.3723      1.00000
     37     -20.3716      1.00000
     38     -20.0978      1.00000
     39     -20.0971      1.00000
     40     -20.0963      1.00000
     41     -18.0600      1.00000
     42     -18.0555      1.00000
     43     -18.0510      1.00000
     44     -17.8788      1.00000
     45     -17.8750      1.00000
     46     -17.8711      1.00000
     47     -17.4515      1.00000
     48     -17.4512      1.00000
     49     -17.4508      1.00000
     50     -17.2274      1.00000
     51     -17.2272      1.00000
     52     -17.2269      1.00000
     53     -15.4020      1.00000
     54     -15.3808      1.00000
     55     -15.3535      1.00000
     56     -15.3281      1.00000
     57     -15.3203      1.00000
     58     -15.3056      1.00000
     59     -13.9536      1.00000
     60     -13.9483      1.00000
     61     -13.9433      1.00000
     62     -13.7111      1.00000
     63     -13.7068      1.00000
     64     -13.7018      1.00000
     65     -13.5099      1.00000
     66     -13.4580      1.00000
     67     -13.3878      1.00000
     68     -13.3130      1.00000
     69     -13.2955      1.00000
     70     -13.2585      1.00000
     71     -12.6708      1.00000
     72     -12.6495      1.00000
     73     -12.6302      1.00000
     74     -12.4761      1.00000
     75     -12.4647      1.00000
     76     -12.4533      1.00000
     77     -11.8823      1.00000
     78     -11.8392      1.00000
     79     -11.8035      1.00000
     80     -11.7514      1.00000
     81     -11.7380      1.00000
     82     -11.6966      1.00000
     83     -11.6869      1.00000
     84     -11.6529      1.00000
     85     -11.6152      1.00000
     86     -11.6050      1.00000
     87     -11.5927      1.00000
     88     -11.5406      1.00000
     89     -11.5366      1.00000
     90     -11.4642      1.00000
     91     -11.4216      1.00000
     92     -11.2809      1.00000
     93     -11.2345      1.00000
     94     -11.1963      1.00000
     95     -10.8285      1.00000
     96     -10.8242      1.00000
     97     -10.8198      1.00000
     98     -10.7546      1.00000
     99     -10.7437      1.00000
    100     -10.7329      1.00000
    101     -10.1973      1.00000
    102     -10.1806      1.00000
    103     -10.1019      1.00000
    104     -10.0907      1.00000
    105     -10.0828      1.00000
    106     -10.0771      1.00000
    107     -10.0438      1.00000
    108     -10.0372      1.00000
    109     -10.0205      1.00000
    110     -10.0172      1.00000
    111      -9.8526      1.00000
    112      -9.8392      1.00000
    113      -9.8331      1.00000
    114      -9.8273      1.00000
    115      -9.8149      1.00000
    116      -9.8028      1.00000
    117      -9.7957      1.00000
    118      -9.7681      1.00000
    119      -9.7639      1.00000
    120      -9.7385      1.00000
    121      -9.7312      1.00000
    122      -9.7046      1.00000
    123      -9.7014      1.00000
    124      -9.6877      1.00000
    125      -9.6051      1.00000
    126      -9.5963      1.00000
    127      -9.5922      1.00000
    128      -9.5011      1.00000
    129      -9.4800      1.00000
    130      -9.4541      1.00000
    131      -9.4114      1.00000
    132      -9.3970      1.00000
    133      -9.3568      1.00000
    134      -9.3139      1.00000
    135      -9.2576      1.00000
    136      -9.2178      1.00000
    137      -9.1813      1.00000
    138      -9.1768      1.00000
    139      -9.1673      1.00000
    140      -9.1591      1.00000
    141      -9.1526      1.00000
    142      -9.1181      1.00000
    143      -9.1041      1.00000
    144      -9.1004      1.00000
    145      -9.0784      1.00000
    146      -8.9779      1.00000
    147      -8.9719      1.00000
    148      -8.9633      1.00000
    149      -8.8349      1.00000
    150      -8.8182      1.00000
    151      -8.8031      1.00000
    152      -8.7916      1.00000
    153      -8.7625      1.00000
    154      -8.7368      1.00000
    155      -8.4852      1.00000
    156      -8.4750      1.00000
    157      -8.4294      1.00000
    158      -8.4212      1.00000
    159      -8.3626      1.00000
    160      -8.3328      1.00000
    161      -8.3139      1.00000
    162      -8.2828      1.00000
    163      -8.2677      1.00000
    164      -8.2546      1.00000
    165      -8.2105      1.00000
    166      -8.1813      1.00000
    167      -7.8876      1.00000
    168      -7.8829      1.00000
    169      -7.8555      1.00000
    170      -7.7955      1.00000
    171      -7.7576      1.00000
    172      -7.6882      1.00000
    173      -7.6839      1.00000
    174      -7.6550      1.00000
    175      -7.6322      1.00000
    176      -7.6021      1.00000
    177      -7.5967      1.00000
    178      -7.5652      1.00000
    179      -7.0906      1.00000
    180      -7.0824      1.00000
    181      -7.0742      1.00000
    182      -6.8818      1.00000
    183      -6.8780      1.00000
    184      -6.8617      1.00000
    185      -6.8446      1.00000
    186      -6.8292      1.00000
    187      -6.6582      1.00000
    188      -6.6503      1.00000
    189      -6.6379      1.00000
    190      -6.6332      1.00000
    191      -6.5944      1.00000
    192      -6.5820      1.00000
    193      -6.5671      1.00000
    194      -6.5537      1.00000
    195      -6.3454      1.00000
    196      -6.3419      1.00000
    197      -6.1899      1.00000
    198      -6.1839      1.00000
    199      -6.1805      1.00000
    200      -6.1776      1.00000
    201      -6.1698      1.00000
    202      -6.1627      1.00000
    203      -6.1471      1.00000
    204      -6.1423      1.00000
    205      -5.8422      1.00000
    206      -5.8209      1.00000
    207      -5.8163      1.00000
    208      -5.8025      1.00000
    209      -5.7974      1.00000
    210      -5.7713      1.00000
    211      -5.6900      1.00000
    212      -5.6704      1.00000
    213      -5.6622      1.00000
    214      -5.6345      1.00000
    215      -5.6293      1.00000
    216      -5.5979      1.00000
    217      -5.5725      1.00000
    218      -5.5685      1.00000
    219      -5.5545      1.00000
    220      -5.5401      1.00000
    221      -5.4194      1.00000
    222      -5.4143      1.00000
    223      -5.4110      1.00000
    224      -5.3344      1.00000
    225      -5.3336      1.00000
    226      -5.3334      1.00000
    227      -5.2031      1.00000
    228      -5.1922      1.00000
    229      -5.1811      1.00000
    230      -5.0924      1.00000
    231      -5.0920      1.00000
    232      -5.0914      1.00000
    233      -1.8948      0.00000
    234      -1.8124      0.00000
    235      -1.7162      0.00000
    236      -1.6977      0.00000
    237      -1.6636      0.00000
    238      -1.6179      0.00000
    239      -0.7158      0.00000
    240      -0.5161      0.00000
    241      -0.3683      0.00000
    242      -0.3466      0.00000
    243      -0.3162      0.00000
    244      -0.1964      0.00000
    245      -0.1953      0.00000
    246      -0.1915      0.00000
    247      -0.1881      0.00000
    248      -0.1696      0.00000
    249      -0.1650      0.00000
    250      -0.1603      0.00000
    251      -0.0562      0.00000
    252       0.0295      0.00000
    253       0.0924      0.00000
    254       0.1078      0.00000
    255       0.1119      0.00000
    256       0.1397      0.00000
    257       0.1767      0.00000
    258       0.1858      0.00000
    259       0.1913      0.00000
    260       0.5813      0.00000
    261       0.7216      0.00000
    262       0.7364      0.00000
    263       0.8343      0.00000
    264       0.8472      0.00000
    265       0.8814      0.00000
    266       0.9441      0.00000
    267       1.0878      0.00000
    268       1.1784      0.00000
    269       1.2680      0.00000
    270       1.3231      0.00000
    271       1.3694      0.00000
    272       1.5348      0.00000
    273       1.5558      0.00000
    274       1.6073      0.00000
    275       1.6272      0.00000
    276       1.7294      0.00000
    277       1.7618      0.00000
    278       1.7822      0.00000
    279       1.8102      0.00000
    280       1.8653      0.00000
    281       1.8770      0.00000
    282       1.9040      0.00000
    283       1.9520      0.00000
    284       1.9647      0.00000
    285       2.0015      0.00000
    286       2.0243      0.00000
    287       2.0625      0.00000
    288       2.0817      0.00000
    289       2.1982      0.00000
    290       2.2146      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
 
 pseudopotential strength for first ion, spin component:           1
-18.465  13.848   0.001   0.004   0.002   0.001   0.003   0.002
 13.848   3.231   0.002   0.004   0.003   0.001   0.004   0.002
  0.001   0.002 -34.596   0.030   0.017  12.080  -0.017  -0.010
  0.004   0.004   0.030 -34.536   0.042  -0.017  12.045  -0.024
  0.002   0.003   0.017   0.042 -34.584  -0.010  -0.024  12.073
  0.001   0.001  12.080  -0.017  -0.010   3.824   0.008   0.005
  0.003   0.004  -0.017  12.045  -0.024   0.008   3.841   0.012
  0.002   0.002  -0.010  -0.024  12.073   0.005   0.012   3.828
  0.017  -0.004  -0.006   0.010  -0.013   0.002  -0.006   0.006
  0.029  -0.007  -0.011  -0.001   0.010   0.004  -0.001  -0.006
  0.031  -0.007   0.002  -0.002   0.003  -0.001  -0.002  -0.001
  0.041  -0.010   0.010  -0.001  -0.003  -0.006  -0.001  -0.001
  0.006  -0.001  -0.008   0.004  -0.000   0.006  -0.002  -0.001
  0.019  -0.005  -0.007   0.012  -0.015   0.002  -0.007   0.007
  0.034  -0.008  -0.012  -0.001   0.012   0.004  -0.001  -0.007
  0.036  -0.009   0.003  -0.002   0.004  -0.001  -0.003  -0.001
  0.048  -0.011   0.012  -0.001  -0.004  -0.007  -0.002  -0.001
  0.007  -0.002  -0.010   0.004  -0.000   0.007  -0.003  -0.002
 pseudopotential strength for first ion, spin component:           2
-18.730  13.379   0.005   0.013   0.008  -0.002  -0.005  -0.003
 13.379   3.248   0.000   0.000   0.000   0.002   0.005   0.003
  0.005   0.000 -33.577   0.082   0.047  11.457  -0.050  -0.029
  0.013   0.000   0.082 -33.410   0.116  -0.050  11.355  -0.071
  0.008   0.000   0.047   0.116 -33.544  -0.029  -0.071  11.437
 -0.002   0.002  11.457  -0.050  -0.029   4.137   0.022   0.013
 -0.005   0.005  -0.050  11.355  -0.071   0.022   4.183   0.031
 -0.003   0.003  -0.029  -0.071  11.437   0.013   0.031   4.146
  0.050  -0.014   0.002  -0.001   0.004  -0.003   0.002  -0.005
  0.087  -0.024   0.004   0.003  -0.001  -0.006  -0.003   0.002
  0.092  -0.025   0.000   0.004   0.001   0.001  -0.005   0.001
  0.123  -0.034  -0.001   0.004   0.003   0.002  -0.004  -0.005
  0.018  -0.005   0.002  -0.000   0.001  -0.001   0.001  -0.002
  0.058  -0.016   0.003  -0.002   0.005  -0.004   0.002  -0.005
  0.101  -0.027   0.005   0.003  -0.002  -0.007  -0.003   0.002
  0.107  -0.029   0.000   0.004   0.001   0.001  -0.006   0.001
  0.143  -0.039  -0.002   0.005   0.004   0.002  -0.004  -0.006
  0.021  -0.006   0.003  -0.001   0.001  -0.001   0.001  -0.002
 total augmentation occupancy for first ion, spin component:           1
  1.996  -0.050   0.000   0.001   0.000   0.001   0.002   0.001   0.015   0.025   0.027   0.036   0.005  -0.014  -0.025  -0.026
 -0.050   1.071   0.004   0.009   0.005  -0.016  -0.039  -0.022  -0.121  -0.209  -0.222  -0.296  -0.043   0.095   0.164   0.175
  0.000   0.004   1.991   0.000   0.000  -0.045   0.002   0.001  -0.001  -0.002   0.006   0.029  -0.022  -0.001  -0.001  -0.003
  0.001   0.009   0.000   1.992   0.001   0.002  -0.040   0.003   0.029   0.017   0.026   0.024   0.010  -0.015  -0.010  -0.017
  0.000   0.005   0.000   0.001   1.991   0.001   0.003  -0.044  -0.016   0.029   0.009   0.018   0.009   0.007  -0.015  -0.004
  0.001  -0.016  -0.045   0.002   0.001   0.115  -0.010  -0.006   0.149   0.258  -0.127  -0.484   0.339  -0.126  -0.217   0.101
  0.002  -0.039   0.002  -0.040   0.003  -0.010   0.094  -0.015  -0.484  -0.157  -0.196  -0.222  -0.171   0.380   0.115   0.137
  0.001  -0.022   0.001   0.003  -0.044  -0.006  -0.015   0.111   0.402  -0.484  -0.179  -0.084  -0.061  -0.324   0.380   0.142
  0.015  -0.121  -0.001   0.029  -0.016   0.149  -0.484   0.402   8.024  -0.785   0.336   0.314   1.358  -5.933   0.570  -0.133
  0.025  -0.209  -0.002   0.017   0.029   0.258  -0.157  -0.484  -0.785   7.117   1.436  -0.025   1.858   0.570  -5.274  -1.072
  0.027  -0.222   0.006   0.026   0.009  -0.127  -0.196  -0.179   0.336   1.436   4.265   2.030   0.119  -0.113  -1.076  -3.036
  0.036  -0.296   0.029   0.024   0.018  -0.484  -0.222  -0.084   0.314  -0.025   2.030   7.099  -1.399  -0.251   0.153  -1.516
  0.005  -0.043  -0.022   0.010   0.009   0.339  -0.171  -0.061   1.358   1.858   0.119  -1.399   4.664  -1.080  -1.362  -0.047
 -0.014   0.095  -0.001  -0.015   0.007  -0.126   0.380  -0.324  -5.933   0.570  -0.113  -0.251  -1.080   4.621  -0.307  -0.142
 -0.025   0.164  -0.001  -0.010  -0.015  -0.217   0.115   0.380   0.570  -5.274  -1.076   0.153  -1.362  -0.307   4.267   0.629
 -0.026   0.175  -0.003  -0.017  -0.004   0.101   0.137   0.142  -0.133  -1.072  -3.036  -1.516  -0.047  -0.142   0.629   2.781
 -0.035   0.233  -0.015  -0.014  -0.012   0.380   0.162   0.051  -0.236   0.153  -1.522  -5.166   1.022   0.156  -0.313   0.889
 -0.005   0.034   0.012  -0.005  -0.006  -0.265   0.134   0.041  -1.080  -1.384  -0.040   1.033  -3.260   0.740   0.777  -0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.001  -0.003  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.006  -0.011  -0.012  -0.016  -0.002   0.007   0.012   0.012
 -0.003   0.072  -0.000  -0.001  -0.000  -0.002  -0.004  -0.002   0.005   0.008   0.008   0.011   0.002  -0.004  -0.007  -0.007
 -0.000  -0.000  -0.000   0.000   0.000  -0.002   0.000   0.000  -0.003  -0.006  -0.000   0.001  -0.002   0.004   0.006   0.000
 -0.000  -0.001   0.000  -0.000   0.000   0.000  -0.002   0.000   0.001  -0.004  -0.005  -0.005   0.000  -0.003   0.003   0.005
 -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.002  -0.005   0.001  -0.000  -0.005  -0.001   0.006  -0.003   0.000
 -0.000  -0.002  -0.002   0.000   0.000   0.011  -0.002  -0.001   0.003   0.005  -0.004   0.001  -0.009  -0.012  -0.020   0.005
 -0.000  -0.004   0.000  -0.002   0.000  -0.002   0.007  -0.003   0.001  -0.001   0.008  -0.001   0.000   0.012  -0.003  -0.011
 -0.000  -0.002   0.000   0.000  -0.002  -0.001  -0.003   0.010  -0.002   0.001  -0.006   0.006   0.006  -0.017   0.012   0.007
 -0.006   0.005  -0.003   0.001  -0.005   0.003   0.001  -0.002  -0.171   0.035  -0.060  -0.019  -0.041   0.203  -0.040   0.080
 -0.011   0.008  -0.006  -0.004   0.001   0.005  -0.001   0.001   0.035  -0.131  -0.073  -0.053  -0.089  -0.040   0.157   0.057
 -0.012   0.008  -0.000  -0.005  -0.000  -0.004   0.008  -0.006  -0.060  -0.073  -0.040  -0.103  -0.021   0.095   0.053   0.108
 -0.016   0.011   0.001  -0.005  -0.005   0.001  -0.001   0.006  -0.019  -0.053  -0.103  -0.169   0.065   0.002   0.076   0.080
 -0.002   0.002  -0.002   0.000  -0.001  -0.009   0.000   0.006  -0.041  -0.089  -0.021   0.065  -0.071   0.015   0.089   0.028
  0.007  -0.004   0.004  -0.003   0.006  -0.012   0.012  -0.017   0.203  -0.040   0.095   0.002   0.015   0.006   0.150  -0.239
  0.012  -0.007   0.006   0.003  -0.003  -0.020  -0.003   0.012  -0.040   0.157   0.053   0.076   0.089   0.150   0.179  -0.222
  0.012  -0.007   0.000   0.005   0.000   0.005  -0.011   0.007   0.080   0.057   0.108   0.080   0.028  -0.239  -0.222   0.475
  0.016  -0.010  -0.003   0.005   0.004   0.012  -0.005  -0.012   0.012   0.076   0.076   0.211  -0.069  -0.034  -0.188  -0.314
  0.002  -0.001   0.003  -0.001   0.001  -0.005   0.004  -0.005   0.015   0.073   0.033  -0.061   0.166  -0.119  -0.316  -0.085


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        2.213   6.196   3.083  11.492
  2        2.213   6.196   3.083  11.491
  3        0.426   0.466   9.898  10.791
  4        0.426   0.466   9.898  10.790
  5        0.426   0.466   9.898  10.790
  6        0.426   0.466   9.898  10.790
  7        0.426   0.466   9.898  10.790
  8        0.426   0.466   9.898  10.790
  9        0.644   0.047   0.000   0.691
 10        0.643   0.047   0.000   0.690
 11        0.642   0.047   0.000   0.689
 12        0.642   0.047   0.000   0.689
 13        0.642   0.047   0.000   0.689
 14        0.642   0.047   0.000   0.689
 15        0.644   0.047   0.000   0.691
 16        0.643   0.047   0.000   0.690
 17        0.643   0.047   0.000   0.690
 18        0.644   0.047   0.000   0.691
 19        0.642   0.047   0.000   0.689
 20        0.642   0.047   0.000   0.689
 21        0.644   0.047   0.000   0.691
 22        0.643   0.047   0.000   0.690
 23        0.642   0.047   0.000   0.689
 24        0.642   0.047   0.000   0.689
 25        0.642   0.047   0.000   0.689
 26        0.642   0.047   0.000   0.689
 27        0.644   0.047   0.000   0.691
 28        0.643   0.047   0.000   0.690
 29        0.643   0.047   0.000   0.690
 30        0.644   0.047   0.000   0.691
 31        0.642   0.047   0.000   0.689
 32        0.642   0.047   0.000   0.689
 33        0.870   1.770   0.000   2.640
 34        0.870   1.770   0.000   2.640
 35        0.872   1.770   0.000   2.642
 36        0.872   1.770   0.000   2.642
 37        0.872   1.770   0.000   2.642
 38        0.872   1.770   0.000   2.642
 39        0.870   1.770   0.000   2.640
 40        0.870   1.770   0.000   2.640
 41        0.870   1.770   0.000   2.640
 42        0.870   1.770   0.000   2.640
 43        0.872   1.770   0.000   2.642
 44        0.872   1.770   0.000   2.642
 45        0.870   1.769   0.000   2.639
 46        0.870   1.770   0.000   2.640
 47        0.872   1.770   0.000   2.642
 48        0.872   1.770   0.000   2.642
 49        0.872   1.770   0.000   2.642
 50        0.872   1.770   0.000   2.642
 51        0.870   1.769   0.000   2.639
 52        0.870   1.770   0.000   2.640
 53        0.870   1.770   0.000   2.640
 54        0.870   1.769   0.000   2.639
 55        0.872   1.770   0.000   2.642
 56        0.872   1.770   0.000   2.642
 57        0.857   1.692   0.000   2.549
 58        0.863   1.783   0.000   2.646
 59        0.863   1.693   0.000   2.556
 60        0.867   1.772   0.000   2.639
 61        0.863   1.693   0.000   2.556
 62        0.867   1.772   0.000   2.639
 63        0.857   1.692   0.000   2.549
 64        0.863   1.783   0.000   2.646
 65        0.857   1.692   0.000   2.549
 66        0.863   1.783   0.000   2.646
 67        0.863   1.693   0.000   2.556
 68        0.867   1.772   0.000   2.639
 69        0.857   1.692   0.000   2.549
 70        0.863   1.783   0.000   2.646
 71        0.863   1.693   0.000   2.556
 72        0.867   1.772   0.000   2.639
 73        0.863   1.693   0.000   2.556
 74        0.867   1.772   0.000   2.639
 75        0.857   1.692   0.000   2.549
 76        0.863   1.783   0.000   2.646
 77        0.857   1.692   0.000   2.549
 78        0.863   1.783   0.000   2.646
 79        0.863   1.693   0.000   2.556
 80        0.867   1.772   0.000   2.639
 81        1.549   3.467   0.000   5.016
 82        1.549   3.467   0.000   5.016
 83        1.565   3.580   0.000   5.145
 84        1.566   3.574   0.000   5.139
 85        1.567   3.576   0.000   5.143
 86        1.567   3.576   0.000   5.143
 87        1.567   3.576   0.000   5.143
 88        1.567   3.576   0.000   5.143
 89        1.565   3.580   0.000   5.145
 90        1.566   3.574   0.000   5.139
 91        1.566   3.574   0.000   5.139
 92        1.565   3.580   0.000   5.145
 93        1.567   3.576   0.000   5.143
 94        1.567   3.576   0.000   5.143
 95        1.565   3.580   0.000   5.145
 96        1.566   3.574   0.000   5.139
 97        1.567   3.576   0.000   5.143
 98        1.567   3.576   0.000   5.143
 99        1.567   3.576   0.000   5.143
100        1.567   3.576   0.000   5.143
101        1.565   3.580   0.000   5.145
102        1.566   3.574   0.000   5.139
103        1.566   3.574   0.000   5.139
104        1.565   3.580   0.000   5.145
105        1.567   3.576   0.000   5.143
106        1.567   3.576   0.000   5.143
------------------------------------------------
tot      104.688 193.212  65.555 363.455
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.014   0.022   2.019   2.055
  2        0.014   0.022   2.019   2.055
  3        0.001   0.001   0.003   0.005
  4        0.001   0.001   0.003   0.005
  5        0.001   0.001   0.003   0.005
  6        0.001   0.001   0.003   0.005
  7        0.001   0.001   0.003   0.005
  8        0.001   0.001   0.003   0.005
  9       -0.000   0.000   0.000  -0.000
 10       -0.001   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       -0.001   0.000   0.000  -0.000
 17       -0.001   0.000   0.000  -0.000
 18       -0.000   0.000   0.000  -0.000
 19       -0.000   0.000   0.000  -0.000
 20       -0.000   0.000   0.000  -0.000
 21       -0.000   0.000   0.000  -0.000
 22       -0.001   0.000   0.000  -0.000
 23       -0.000   0.000   0.000  -0.000
 24       -0.000   0.000   0.000  -0.000
 25       -0.000   0.000   0.000  -0.000
 26       -0.000   0.000   0.000  -0.000
 27       -0.000   0.000   0.000  -0.000
 28       -0.001   0.000   0.000  -0.000
 29       -0.001   0.000   0.000  -0.000
 30       -0.000   0.000   0.000  -0.000
 31       -0.000   0.000   0.000  -0.000
 32       -0.000   0.000   0.000  -0.000
 33        0.000   0.009   0.000   0.009
 34        0.000   0.012   0.000   0.013
 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   0.009   0.000   0.009
 40        0.000   0.012   0.000   0.013
 41        0.000   0.012   0.000   0.013
 42        0.000   0.009   0.000   0.009
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.009   0.000   0.009
 46        0.000   0.012   0.000   0.013
 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   0.009   0.000   0.009
 52        0.000   0.012   0.000   0.013
 53        0.000   0.012   0.000   0.013
 54        0.000   0.009   0.000   0.009
 55        0.000   0.000   0.000   0.000
 56        0.000   0.000   0.000   0.000
 57        0.005   0.058   0.000   0.063
 58        0.000   0.021   0.000   0.021
 59        0.000   0.001   0.000   0.001
 60        0.000   0.000   0.000   0.000
 61        0.000   0.001   0.000   0.001
 62        0.000   0.000   0.000   0.000
 63        0.005   0.058   0.000   0.063
 64        0.000   0.021   0.000   0.021
 65        0.005   0.058   0.000   0.063
 66        0.000   0.021   0.000   0.021
 67        0.000   0.001   0.000   0.001
 68        0.000   0.000   0.000   0.000
 69        0.005   0.058   0.000   0.063
 70        0.000   0.021   0.000   0.021
 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        0.005   0.058   0.000   0.063
 76        0.000   0.021   0.000   0.021
 77        0.005   0.058   0.000   0.063
 78        0.000   0.021   0.000   0.021
 79        0.000   0.001   0.000   0.001
 80        0.000   0.000   0.000   0.000
 81       -0.001   0.016   0.000   0.015
 82       -0.001   0.016   0.000   0.015
 83        0.000  -0.015   0.000  -0.015
 84        0.001   0.035   0.000   0.035
 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  -0.015   0.000  -0.015
 90        0.001   0.035   0.000   0.035
 91        0.001   0.035   0.000   0.035
 92        0.000  -0.015   0.000  -0.015
 93        0.000   0.001   0.000   0.001
 94        0.000   0.001   0.000   0.001
 95        0.000  -0.015   0.000  -0.015
 96        0.001   0.035   0.000   0.035
 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   0.001   0.000   0.001
101        0.000  -0.015   0.000  -0.015
102        0.001   0.035   0.000   0.035
103        0.001   0.035   0.000   0.035
104        0.000  -0.015   0.000  -0.015
105        0.000   0.001   0.000   0.001
106        0.000   0.001   0.000   0.001
------------------------------------------------
tot        0.074   0.816   4.053   4.943
 
    FORLOC:  cpu time    0.1221: real time    0.1222
    FORNL :  cpu time   64.6713: real time   64.7605
    STRESS:  cpu time   81.7293: real time   81.8454
    FORCOR:  cpu time    0.7542: real time    0.7559
    OFIELD:  cpu time    0.0022: real time    0.0025

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

         DFTD3 V3.0 Rev 1        
 IVDW         = 12
 DF pbe       
 parameters
 VDW_S6       =    1.0000
 VDW_S8       =    0.7875
 VDW_A1       =    0.4289
 VDW_A2       =    4.4407
 k1-k3        =   16.0000    1.3333   -4.0000
 VDW_RADIUS   =   50.2022 A
 VDW_CNRADIUS =   21.1671 A
 Edisp (eV)   -5.48761

 E6    (eV) :    -3.7125
 E8    (eV) :    -1.7752
 % E8        : 32.35
    FORVDW:  cpu time    0.4849: real time    0.5719

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   280.03878   280.03878   280.03878
  Ewald   11075.07360 11129.73428 10854.72551   -77.47436  -134.91451  -190.69201
  Hartree 20655.42456 20696.97510 20487.83964   -58.96348  -102.53071  -144.92684
  E(xc)   -2155.18252 -2155.08445 -2155.57664    -0.13886    -0.24146    -0.34139
  Local  -36693.61012-36788.30625-36311.73058   134.31052   233.70348   330.32851
  n-local -1141.78401 -1141.85120 -1141.51400     0.09275     0.16935     0.23926
  augment   539.84301   539.05334   543.01355     1.12092     1.94004     2.74399
  Kinetic  7443.37611  7442.61259  7446.43430     1.07546     1.88143     2.66031
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -3.09317    -3.09520    -3.08497     0.00289     0.00502     0.00709
  -------------------------------------------------------------------------------------
  Total       0.08624     0.07698     0.14558     0.02583     0.01263     0.01891
  in kB       0.03136     0.02799     0.05293     0.00939     0.00459     0.00688
  external pressure =        0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :     4406.85
      direct lattice vectors                 reciprocal lattice vectors
   -15.922298784  0.042409449 -9.123491913    -0.031551123 -0.022310044 -0.054647908
   -15.982315941 -0.000025538  9.227445512    -0.031195678 -0.022058726  0.054340094
   -10.654852281 15.068209145  0.000002789     0.000088748  0.066427641  0.000153899

  length of vectors
    18.351008196 18.454814373 18.454723080     0.066929853  0.066427430  0.066427879


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.399E+03 -.282E+03 -.692E+03   0.398E+03 0.281E+03 0.689E+03   0.182E+01 0.129E+01 0.316E+01
   0.399E+03 0.282E+03 0.692E+03   -.397E+03 -.281E+03 -.688E+03   -.182E+01 -.129E+01 -.316E+01
   -.320E+03 -.226E+03 0.585E+03   0.320E+03 0.226E+03 -.584E+03   -.181E+00 -.128E+00 -.103E+01
   0.888E+01 0.704E+03 0.154E+02   -.849E+01 -.703E+03 -.147E+02   -.388E+00 -.714E+00 -.674E+00
   0.666E+03 -.226E+03 0.154E+02   -.665E+03 0.226E+03 -.147E+02   -.803E+00 -.128E+00 -.674E+00
   0.320E+03 0.226E+03 -.585E+03   -.320E+03 -.226E+03 0.584E+03   0.178E+00 0.126E+00 0.103E+01
   -.666E+03 0.226E+03 -.153E+02   0.665E+03 -.226E+03 0.146E+02   0.806E+00 0.126E+00 0.672E+00
   -.884E+01 -.703E+03 -.153E+02   0.845E+01 0.703E+03 0.147E+02   0.387E+00 0.717E+00 0.672E+00
   -.114E+01 -.806E+00 -.923E+02   -.139E+01 -.980E+00 0.973E+02   0.252E+01 0.178E+01 -.499E+01
   -.120E+01 -.847E+00 0.933E+02   -.126E+01 -.893E+00 -.983E+02   0.246E+01 0.174E+01 0.506E+01
   -.522E+02 0.763E+02 0.300E+00   0.576E+02 -.786E+02 -.328E+00   -.544E+01 0.231E+01 0.245E-01
   0.545E+02 -.746E+02 0.301E+00   -.549E+02 0.805E+02 -.329E+00   0.369E+00 -.590E+01 0.245E-01
   -.270E+02 -.746E+02 0.474E+02   0.272E+02 0.805E+02 -.477E+02   -.164E+00 -.590E+01 0.332E+00
   0.263E+02 0.763E+02 -.450E+02   -.291E+02 -.786E+02 0.497E+02   0.274E+01 0.231E+01 -.470E+01
   -.794E+02 -.807E+00 -.471E+02   0.850E+02 -.978E+00 0.474E+02   -.558E+01 0.178E+01 -.312E+00
   0.814E+02 -.845E+00 0.456E+02   -.845E+02 -.895E+00 -.503E+02   0.315E+01 0.174E+01 0.466E+01
   0.263E+02 0.770E+02 0.456E+02   -.290E+02 -.794E+02 -.503E+02   0.269E+01 0.239E+01 0.466E+01
   -.272E+02 -.746E+02 -.471E+02   0.274E+02 0.804E+02 0.474E+02   -.180E+00 -.586E+01 -.312E+00
   -.793E+02 -.592E+00 0.474E+02   0.850E+02 -.122E+01 -.477E+02   -.562E+01 0.181E+01 0.332E+00
   0.807E+02 -.589E+00 -.450E+02   -.838E+02 -.123E+01 0.497E+02   0.310E+01 0.181E+01 -.470E+01
   0.114E+01 0.804E+00 0.923E+02   0.139E+01 0.981E+00 -.973E+02   -.252E+01 -.178E+01 0.499E+01
   0.119E+01 0.843E+00 -.933E+02   0.127E+01 0.897E+00 0.983E+02   -.246E+01 -.174E+01 -.506E+01
   -.545E+02 0.746E+02 -.300E+00   0.549E+02 -.805E+02 0.328E+00   -.368E+00 0.590E+01 -.246E-01
   0.522E+02 -.763E+02 -.300E+00   -.576E+02 0.786E+02 0.328E+00   0.544E+01 -.231E+01 -.246E-01
   0.793E+02 0.593E+00 -.474E+02   -.850E+02 0.122E+01 0.477E+02   0.562E+01 -.181E+01 -.332E+00
   -.807E+02 0.590E+00 0.450E+02   0.838E+02 0.123E+01 -.497E+02   -.310E+01 -.181E+01 0.470E+01
   0.272E+02 0.746E+02 0.471E+02   -.274E+02 -.804E+02 -.474E+02   0.180E+00 0.585E+01 0.311E+00
   -.263E+02 -.770E+02 -.456E+02   0.290E+02 0.794E+02 0.503E+02   -.269E+01 -.239E+01 -.466E+01
   -.814E+02 0.842E+00 -.456E+02   0.845E+02 0.899E+00 0.503E+02   -.315E+01 -.174E+01 -.466E+01
   0.794E+02 0.805E+00 0.471E+02   -.849E+02 0.979E+00 -.474E+02   0.558E+01 -.178E+01 0.311E+00
   0.270E+02 0.746E+02 -.474E+02   -.272E+02 -.805E+02 0.477E+02   0.163E+00 0.590E+01 -.332E+00
   -.263E+02 -.763E+02 0.450E+02   0.291E+02 0.786E+02 -.497E+02   -.274E+01 -.231E+01 0.470E+01
   -.157E+02 -.111E+02 -.201E+03   0.152E+02 0.108E+02 0.203E+03   0.454E+00 0.321E+00 -.162E+01
   -.165E+02 -.117E+02 0.203E+03   0.160E+02 0.113E+02 -.205E+03   0.517E+00 0.365E+00 0.176E+01
   -.998E+02 0.178E+03 0.620E+00   0.101E+03 -.179E+03 -.630E+00   -.167E+01 0.108E+01 0.906E-02
   0.135E+03 -.153E+03 0.621E+00   -.135E+03 0.155E+03 -.631E+00   0.461E+00 -.194E+01 0.905E-02
   -.668E+02 -.153E+03 0.117E+03   0.670E+02 0.155E+03 -.117E+03   -.221E+00 -.194E+01 0.402E+00
   0.504E+02 0.178E+03 -.861E+02   -.513E+02 -.179E+03 0.875E+02   0.844E+00 0.108E+01 -.144E+01
   -.166E+03 -.111E+02 -.114E+03   0.168E+03 0.108E+02 0.115E+03   -.163E+01 0.321E+00 -.415E+00
   0.184E+03 -.117E+02 0.872E+02   -.185E+03 0.113E+02 -.885E+02   0.127E+01 0.365E+00 0.133E+01
   0.503E+02 0.177E+03 0.872E+02   -.511E+02 -.178E+03 -.885E+02   0.766E+00 0.107E+01 0.133E+01
   -.659E+02 -.153E+03 -.114E+03   0.661E+02 0.155E+03 0.115E+03   -.240E+00 -.164E+01 -.416E+00
   -.167E+03 -.118E+02 0.117E+03   0.169E+03 0.114E+02 -.117E+03   -.190E+01 0.437E+00 0.401E+00
   0.185E+03 -.118E+02 -.861E+02   -.186E+03 0.114E+02 0.875E+02   0.130E+01 0.436E+00 -.144E+01
   0.156E+02 0.111E+02 0.201E+03   -.152E+02 -.107E+02 -.203E+03   -.454E+00 -.321E+00 0.162E+01
   0.165E+02 0.117E+02 -.203E+03   -.160E+02 -.113E+02 0.205E+03   -.517E+00 -.365E+00 -.176E+01
   -.135E+03 0.153E+03 -.619E+00   0.135E+03 -.155E+03 0.629E+00   -.461E+00 0.194E+01 -.909E-02
   0.998E+02 -.178E+03 -.618E+00   -.101E+03 0.179E+03 0.628E+00   0.167E+01 -.108E+01 -.908E-02
   0.167E+03 0.118E+02 -.117E+03   -.169E+03 -.114E+02 0.117E+03   0.190E+01 -.437E+00 -.402E+00
   -.185E+03 0.118E+02 0.861E+02   0.186E+03 -.114E+02 -.875E+02   -.130E+01 -.436E+00 0.144E+01
   0.659E+02 0.153E+03 0.114E+03   -.661E+02 -.155E+03 -.115E+03   0.240E+00 0.164E+01 0.416E+00
   -.503E+02 -.177E+03 -.872E+02   0.511E+02 0.178E+03 0.885E+02   -.766E+00 -.107E+01 -.133E+01
   -.184E+03 0.117E+02 -.872E+02   0.185E+03 -.113E+02 0.885E+02   -.127E+01 -.365E+00 -.133E+01
   0.166E+03 0.111E+02 0.114E+03   -.168E+03 -.107E+02 -.115E+03   0.163E+01 -.321E+00 0.416E+00
   0.668E+02 0.153E+03 -.117E+03   -.670E+02 -.155E+03 0.117E+03   0.221E+00 0.194E+01 -.402E+00
   -.504E+02 -.178E+03 0.861E+02   0.513E+02 0.179E+03 -.875E+02   -.844E+00 -.108E+01 0.144E+01
   -.221E+03 -.156E+03 0.724E+00   0.226E+03 0.160E+03 -.102E+01   -.535E+01 -.378E+01 0.308E+00
   -.814E+02 -.575E+02 0.793E+00   0.824E+02 0.583E+02 -.759E+00   -.105E+01 -.740E+00 -.288E-01
   0.224E+03 0.158E+03 0.261E+01   -.228E+03 -.161E+03 -.254E+01   0.469E+01 0.332E+01 -.745E-01
   0.747E+02 0.528E+02 0.925E+00   -.754E+02 -.533E+02 -.907E+00   0.706E+00 0.500E+00 -.178E-01
   -.110E+03 0.158E+03 0.195E+03   0.112E+03 -.161E+03 -.199E+03   -.241E+01 0.332E+01 0.403E+01
   -.366E+02 0.528E+02 0.651E+02   0.369E+02 -.533E+02 -.657E+02   -.369E+00 0.499E+00 0.603E+00
   0.111E+03 -.156E+03 -.191E+03   -.114E+03 0.160E+03 0.195E+03   0.294E+01 -.378E+01 -.448E+01
   0.414E+02 -.575E+02 -.701E+02   -.419E+02 0.583E+02 0.710E+02   0.498E+00 -.740E+00 -.921E+00
   -.110E+03 0.157E+03 -.191E+03   0.113E+03 -.161E+03 0.195E+03   -.258E+01 0.403E+01 -.448E+01
   -.405E+02 0.582E+02 -.701E+02   0.410E+02 -.589E+02 0.710E+02   -.531E+00 0.716E+00 -.921E+00
   0.113E+03 -.156E+03 0.195E+03   -.115E+03 0.159E+03 -.199E+03   0.232E+01 -.338E+01 0.403E+01
   0.376E+02 -.521E+02 0.651E+02   -.380E+02 0.526E+02 -.657E+02   0.347E+00 -.514E+00 0.604E+00
   0.221E+03 0.156E+03 -.750E+00   -.226E+03 -.160E+03 0.105E+01   0.534E+01 0.378E+01 -.309E+00
   0.814E+02 0.575E+02 -.793E+00   -.824E+02 -.583E+02 0.757E+00   0.105E+01 0.739E+00 0.283E-01
   -.224E+03 -.158E+03 -.260E+01   0.228E+03 0.161E+03 0.253E+01   -.469E+01 -.332E+01 0.745E-01
   -.747E+02 -.528E+02 -.919E+00   0.754E+02 0.533E+02 0.901E+00   -.706E+00 -.500E+00 0.179E-01
   -.113E+03 0.156E+03 -.195E+03   0.115E+03 -.159E+03 0.199E+03   -.232E+01 0.338E+01 -.403E+01
   -.376E+02 0.521E+02 -.652E+02   0.380E+02 -.526E+02 0.657E+02   -.347E+00 0.514E+00 -.604E+00
   0.110E+03 -.157E+03 0.191E+03   -.113E+03 0.161E+03 -.195E+03   0.258E+01 -.403E+01 0.447E+01
   0.404E+02 -.582E+02 0.701E+02   -.410E+02 0.589E+02 -.710E+02   0.531E+00 -.716E+00 0.920E+00
   -.111E+03 0.156E+03 0.191E+03   0.114E+03 -.160E+03 -.195E+03   -.294E+01 0.378E+01 0.447E+01
   -.414E+02 0.575E+02 0.701E+02   0.419E+02 -.583E+02 -.710E+02   -.498E+00 0.740E+00 0.921E+00
   0.110E+03 -.158E+03 -.195E+03   -.112E+03 0.161E+03 0.199E+03   0.241E+01 -.332E+01 -.403E+01
   0.366E+02 -.528E+02 -.652E+02   -.369E+02 0.533E+02 0.657E+02   0.369E+00 -.499E+00 -.603E+00
   -.255E+01 -.179E+01 -.439E+01   0.266E+01 0.187E+01 0.459E+01   -.124E+00 -.873E-01 -.212E+00
   0.258E+01 0.181E+01 0.445E+01   -.270E+01 -.190E+01 -.465E+01   0.125E+00 0.872E-01 0.212E+00
   -.343E+03 -.242E+03 -.281E+03   0.338E+03 0.239E+03 0.316E+03   0.453E+01 0.320E+01 -.349E+02
   -.319E+03 -.225E+03 0.339E+03   0.314E+03 0.222E+03 -.381E+03   0.476E+01 0.337E+01 0.411E+02
   0.132E+03 0.485E+03 0.996E+01   -.103E+03 -.515E+03 -.103E+02   -.288E+02 0.300E+02 0.338E+00
   0.501E+03 -.374E+02 0.996E+01   -.520E+03 0.745E+02 -.103E+02   0.187E+02 -.371E+02 0.337E+00
   -.242E+03 -.373E+02 0.439E+03   0.251E+03 0.745E+02 -.456E+03   -.906E+01 -.371E+02 0.164E+02
   -.574E+02 0.485E+03 0.119E+03   0.427E+02 -.515E+03 -.944E+02   0.147E+02 0.300E+02 -.248E+02
   -.723E+02 -.242E+03 -.437E+03   0.105E+03 0.239E+03 0.451E+03   -.325E+02 0.320E+01 -.135E+02
   0.453E+03 -.225E+03 -.106E+03   -.487E+03 0.222E+03 0.817E+02   0.332E+02 0.337E+01 0.247E+02
   -.614E+02 0.503E+03 -.106E+03   0.472E+02 -.533E+03 0.818E+02   0.143E+02 0.302E+02 0.247E+02
   -.252E+03 0.126E+02 -.437E+03   0.260E+03 0.191E+02 0.451E+03   -.782E+01 -.317E+02 -.135E+02
   -.116E+03 -.216E+03 0.439E+03   0.154E+03 0.212E+03 -.456E+03   -.380E+02 0.383E+01 0.164E+02
   0.438E+03 -.216E+03 0.119E+03   -.472E+03 0.212E+03 -.944E+02   0.332E+02 0.384E+01 -.248E+02
   0.342E+03 0.242E+03 0.281E+03   -.338E+03 -.239E+03 -.316E+03   -.453E+01 -.320E+01 0.349E+02
   0.319E+03 0.225E+03 -.339E+03   -.314E+03 -.222E+03 0.380E+03   -.477E+01 -.337E+01 -.411E+02
   -.501E+03 0.374E+02 -.994E+01   0.520E+03 -.745E+02 0.103E+02   -.187E+02 0.371E+02 -.337E+00
   -.132E+03 -.485E+03 -.993E+01   0.103E+03 0.515E+03 0.103E+02   0.288E+02 -.300E+02 -.337E+00
   0.116E+03 0.216E+03 -.439E+03   -.154E+03 -.212E+03 0.456E+03   0.380E+02 -.383E+01 -.164E+02
   -.438E+03 0.216E+03 -.119E+03   0.472E+03 -.212E+03 0.944E+02   -.332E+02 -.384E+01 0.248E+02
   0.252E+03 -.125E+02 0.437E+03   -.260E+03 -.192E+02 -.451E+03   0.782E+01 0.317E+02 0.135E+02
   0.614E+02 -.502E+03 0.106E+03   -.472E+02 0.533E+03 -.817E+02   -.143E+02 -.302E+02 -.247E+02
   -.453E+03 0.225E+03 0.106E+03   0.487E+03 -.222E+03 -.817E+02   -.332E+02 -.337E+01 -.247E+02
   0.724E+02 0.242E+03 0.437E+03   -.105E+03 -.239E+03 -.451E+03   0.325E+02 -.320E+01 0.135E+02
   0.242E+03 0.373E+02 -.439E+03   -.251E+03 -.745E+02 0.456E+03   0.906E+01 0.371E+02 -.164E+02
   0.574E+02 -.485E+03 -.119E+03   -.427E+02 0.515E+03 0.944E+02   -.147E+02 -.300E+02 0.248E+02
 -----------------------------------------------------------------------------------------------
   -.508E-02 -.448E-02 -.664E-02   -.540E-12 0.114E-12 0.725E-12   0.517E-02 0.453E-02 0.679E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -9.65787      4.47204      1.72692        -0.011702     -0.008280     -0.020376
    -32.90161     10.63854     -1.62300         0.012500      0.008860      0.021848
     -9.71024      4.43502     -1.56837        -0.006169     -0.004485      0.015235
    -10.63534      1.81849      0.03394         0.001590      0.016960      0.002170
    -12.48545      4.43500      0.03395         0.016484     -0.004204      0.002222
    -32.84921     10.67558      1.67256         0.005702      0.004169     -0.018282
    -30.07382     10.67560      0.07013        -0.018845      0.003905     -0.004067
    -31.92406     13.29229      0.07014        -0.002724     -0.019126     -0.004029
    -22.29182      6.83965     -6.98335        -0.006917     -0.004893      0.002925
    -22.30589      6.82971      7.05790         0.000592      0.000415     -0.011861
    -24.34221     14.06099      0.04017         0.010214     -0.007323     -0.003425
    -16.16692      2.49940      0.04016        -0.003716      0.012556     -0.003430
    -23.84636      2.49941      4.47395        -0.001354      0.011671     -0.004508
    -19.75867     14.06106     -2.60615        -0.008745     -0.008538      0.008286
    -26.86637      6.83961     -4.34226         0.004934     -0.004693     -0.004838
    -14.69947      6.82975      2.66633        -0.011080      0.000235     -0.006019
    -19.77038     14.00107      2.66633        -0.003413     -0.010460     -0.005924
    -23.81672      2.52672     -4.34226        -0.002733      0.006535     -0.004750
    -26.90201      6.82076      4.47394         0.010313     -0.005168     -0.004380
    -14.63900      6.82077     -2.60616        -0.011071     -0.005395      0.008345
    -20.26768      8.27091      7.08731         0.005982      0.004231     -0.001779
    -20.25359      8.28087     -6.95401        -0.000903     -0.000637      0.012753
    -26.39265     12.61119      0.06383         0.004163     -0.012375      0.003424
    -18.21730      1.04952      0.06382        -0.009937      0.007691      0.003419
    -15.65743      8.28990     -4.37004        -0.010198      0.004881      0.004771
    -27.92053      8.28989      2.71010         0.011452      0.005181     -0.008222
    -18.74277     12.58390      4.44618         0.002592     -0.005030      0.004507
    -22.78912      1.10949     -2.56243         0.003422      0.011333      0.005940
    -27.86003      8.28083     -2.56243         0.011917     -0.000509      0.006051
    -15.69307      8.27096      4.44617        -0.003507      0.004044      0.004602
    -18.71304     12.61118     -4.37006         0.001124     -0.011628      0.004901
    -22.80075      1.04944      2.71009         0.008593      0.008905     -0.008032
    -21.82943      7.16660     -7.91333         0.008827      0.006242     -0.023629
    -21.85923      7.14554      7.99924         0.005130      0.003630     -0.006303
    -25.33872     14.49953      0.04483         0.008826     -0.004331     -0.000924
    -16.08565      1.41371      0.04483        -0.000159      0.008789     -0.000919
    -23.88301      1.41369      4.54671         0.001310      0.011024     -0.004043
    -19.25639     14.49951     -3.46682        -0.003929     -0.001361      0.005007
    -27.90298      7.16656     -4.40680        -0.023353      0.006793     -0.002412
    -14.10757      7.14557      3.52378        -0.006402      0.003763      0.002431
    -19.27532     14.45385      3.52378         0.001363     -0.007875      0.002363
    -23.85399      1.44042     -4.40680        -0.001520     -0.024793     -0.002666
    -27.93786      7.14811      4.54672         0.011254     -0.002353     -0.004426
    -14.05821      7.14818     -3.46683        -0.001812     -0.003564      0.005035
    -20.73013      7.94392      8.01729        -0.009010     -0.006372      0.023719
    -20.70034      7.96498     -7.89527        -0.005109     -0.003616      0.005938
    -26.47382     13.69689      0.05916         0.000462     -0.008871      0.000916
    -17.22075      0.61106      0.05915        -0.008572      0.004654      0.000919
    -14.62159      7.96250     -4.44275        -0.011433      0.002294      0.004624
    -28.50125      7.96243      3.57080         0.001984      0.003269     -0.004661
    -18.70553     13.67024      4.51066         0.001466      0.025214      0.002574
    -23.28421      0.65684     -3.41992        -0.001347      0.007579     -0.002334
    -28.45182      7.96494     -3.41992         0.006082     -0.003639     -0.002415
    -14.65643      7.94396      4.51067         0.023705     -0.006983      0.002305
    -18.67644     13.69690     -4.44275        -0.001470     -0.010819      0.004310
    -23.30305      0.61107      3.57079         0.003879      0.001618     -0.004925
     -7.66617      5.88039     -0.05958        -0.005499     -0.003883     -0.000515
     -6.47475      6.72283     -0.01939        -0.005780     -0.004081      0.006500
    -13.59062      1.69118      0.01969         0.009156      0.004852     -0.003362
    -14.81079      0.82836      0.03700         0.002815      0.002942      0.000228
     -9.16992      1.69114     -2.53251        -0.005152      0.010259      0.002246
     -8.54485      0.82840     -3.58064        -0.002745     -0.000321      0.005227
    -12.20092      5.88040      2.55849         0.003490     -0.004042     -0.004574
    -12.76175      6.72282      3.61040         0.006656     -0.004259     -0.003100
     -9.17775      1.60497      2.55849        -0.002661      0.004330     -0.004594
     -8.57044      0.79540      3.61040        -0.001581      0.008217     -0.002721
    -12.11708      5.85902     -2.53252         0.008852     -0.008432      0.001993
    -12.72211      6.73593     -3.58065        -0.001906     -0.002411      0.005505
    -34.89341      9.23011      0.16356         0.006891      0.004866      0.003174
    -36.08483      8.38767      0.12338         0.005658      0.003992     -0.007343
    -28.96879     13.41946      0.08428        -0.009972     -0.005666      0.003461
    -27.74866     14.28224      0.06698        -0.002309     -0.002440     -0.000175
    -30.44235      9.25154      2.63653        -0.009422      0.009210     -0.002730
    -29.83734      8.37467      3.68463         0.002358      0.002016     -0.005020
    -33.38179     13.50573     -2.45462         0.003859     -0.003322      0.006668
    -33.98909     14.31531     -3.50654         0.001332     -0.008911      0.002292
    -30.35846      9.23010     -2.45462        -0.002257      0.004800      0.006530
    -29.79762      8.38768     -3.50654        -0.007392      0.004248      0.002661
    -33.38956     13.41949      2.63652         0.005815     -0.010723     -0.003178
    -34.01461     14.28220      3.68462         0.002461      0.000717     -0.004639
    -10.58669      3.81525      0.11812        -0.007791     -0.005430     -0.013117
    -31.97262     11.29546     -0.01389         0.006994      0.004871      0.011717
     -8.18795      5.51142      1.08014        -0.011662     -0.008234     -0.009137
     -8.15031      5.53807     -1.19494         0.005827      0.004145     -0.007383
    -12.45989      1.09862      0.01242         0.007764     -0.005479     -0.012104
    -13.77235      2.95473      0.01244        -0.002792      0.010520     -0.012120
     -9.08531      2.95476     -2.69355        -0.009344      0.007312     -0.008002
     -9.74153      1.09865     -1.55695        -0.016402     -0.007447      0.004109
    -10.95295      5.51149      2.67641        -0.002348     -0.008250     -0.014849
    -12.94212      5.53801      1.57156        -0.009804      0.004099      0.000981
     -9.74763      1.02029      1.57158         0.000559     -0.010563      0.000945
     -9.10957      2.90453      2.67640        -0.008504      0.000549     -0.014732
    -10.89751      5.51759     -2.69357         0.003159     -0.011050     -0.007904
    -12.86621      5.51760     -1.55696        -0.012669     -0.013031      0.004327
    -34.37171      9.59902     -0.97620         0.012602      0.008899      0.010268
    -34.40921      9.57247      1.29896        -0.007227     -0.005129      0.004162
    -28.78704     12.15589      0.09155         0.003009     -0.009296      0.012265
    -30.09952     14.01203      0.09154        -0.006663      0.005388      0.012256
    -31.66192      9.59298      2.79761        -0.002023      0.010650      0.008204
    -29.69320      9.59295      1.66097         0.012413      0.012666     -0.003293
    -33.45003     12.20620     -2.57261         0.009318     -0.000119      0.016181
    -32.81186     14.09041     -1.46764        -0.002037      0.009024     -0.003522
    -29.61726      9.57253     -1.46763         0.007905     -0.004939     -0.003459
    -31.60643      9.59894     -2.57263         0.003110      0.008848      0.016312
    -33.47418     12.15586      2.79758         0.009338     -0.006316      0.008312
    -32.81794     14.01200      1.66097         0.015873      0.007233     -0.002908
 -----------------------------------------------------------------------------------
    total drift:                                0.000085      0.000055      0.000146


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -740.83614421 eV

  energy  without entropy=     -740.83614421  energy(sigma->0) =     -740.83614421
 


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


    POTLOK:  cpu time    0.8175: real time    0.8224


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


 stress matrix after NEB project (eV)
      0.08624      0.02583      0.01891
      0.02583      0.07698      0.01263
      0.01891      0.01263      0.14558
  FORCES: max atom, RMS     0.026685    0.013843
  FORCE total and by dimension    0.142519    0.025214
  Stress total and by dimension    0.192165    0.145584
 writing wavefunctions
     LOOP+:  cpu time  784.5654: real time  789.9263
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        2.213   6.196   3.083  11.492
  2        2.213   6.196   3.083  11.491
  3        0.426   0.466   9.898  10.791
  4        0.426   0.466   9.898  10.790
  5        0.426   0.466   9.898  10.790
  6        0.426   0.466   9.898  10.790
  7        0.426   0.466   9.898  10.790
  8        0.426   0.466   9.898  10.790
  9        0.644   0.047   0.000   0.691
 10        0.643   0.047   0.000   0.690
 11        0.642   0.047   0.000   0.689
 12        0.642   0.047   0.000   0.689
 13        0.642   0.047   0.000   0.689
 14        0.642   0.047   0.000   0.689
 15        0.644   0.047   0.000   0.691
 16        0.643   0.047   0.000   0.690
 17        0.643   0.047   0.000   0.690
 18        0.644   0.047   0.000   0.691
 19        0.642   0.047   0.000   0.689
 20        0.642   0.047   0.000   0.689
 21        0.644   0.047   0.000   0.691
 22        0.643   0.047   0.000   0.690
 23        0.642   0.047   0.000   0.689
 24        0.642   0.047   0.000   0.689
 25        0.642   0.047   0.000   0.689
 26        0.642   0.047   0.000   0.689
 27        0.644   0.047   0.000   0.691
 28        0.643   0.047   0.000   0.690
 29        0.643   0.047   0.000   0.690
 30        0.644   0.047   0.000   0.691
 31        0.642   0.047   0.000   0.689
 32        0.642   0.047   0.000   0.689
 33        0.870   1.770   0.000   2.640
 34        0.870   1.770   0.000   2.640
 35        0.872   1.770   0.000   2.642
 36        0.872   1.770   0.000   2.642
 37        0.872   1.770   0.000   2.642
 38        0.872   1.770   0.000   2.642
 39        0.870   1.770   0.000   2.640
 40        0.870   1.770   0.000   2.640
 41        0.870   1.770   0.000   2.640
 42        0.870   1.770   0.000   2.640
 43        0.872   1.770   0.000   2.642
 44        0.872   1.770   0.000   2.642
 45        0.870   1.769   0.000   2.639
 46        0.870   1.770   0.000   2.640
 47        0.872   1.770   0.000   2.642
 48        0.872   1.770   0.000   2.642
 49        0.872   1.770   0.000   2.642
 50        0.872   1.770   0.000   2.642
 51        0.870   1.769   0.000   2.639
 52        0.870   1.770   0.000   2.640
 53        0.870   1.770   0.000   2.640
 54        0.870   1.769   0.000   2.639
 55        0.872   1.770   0.000   2.642
 56        0.872   1.770   0.000   2.642
 57        0.857   1.692   0.000   2.549
 58        0.863   1.783   0.000   2.646
 59        0.863   1.693   0.000   2.556
 60        0.867   1.772   0.000   2.639
 61        0.863   1.693   0.000   2.556
 62        0.867   1.772   0.000   2.639
 63        0.857   1.692   0.000   2.549
 64        0.863   1.783   0.000   2.646
 65        0.857   1.692   0.000   2.549
 66        0.863   1.783   0.000   2.646
 67        0.863   1.693   0.000   2.556
 68        0.867   1.772   0.000   2.639
 69        0.857   1.692   0.000   2.549
 70        0.863   1.783   0.000   2.646
 71        0.863   1.693   0.000   2.556
 72        0.867   1.772   0.000   2.639
 73        0.863   1.693   0.000   2.556
 74        0.867   1.772   0.000   2.639
 75        0.857   1.692   0.000   2.549
 76        0.863   1.783   0.000   2.646
 77        0.857   1.692   0.000   2.549
 78        0.863   1.783   0.000   2.646
 79        0.863   1.693   0.000   2.556
 80        0.867   1.772   0.000   2.639
 81        1.549   3.467   0.000   5.016
 82        1.549   3.467   0.000   5.016
 83        1.565   3.580   0.000   5.145
 84        1.566   3.574   0.000   5.139
 85        1.567   3.576   0.000   5.143
 86        1.567   3.576   0.000   5.143
 87        1.567   3.576   0.000   5.143
 88        1.567   3.576   0.000   5.143
 89        1.565   3.580   0.000   5.145
 90        1.566   3.574   0.000   5.139
 91        1.566   3.574   0.000   5.139
 92        1.565   3.580   0.000   5.145
 93        1.567   3.576   0.000   5.143
 94        1.567   3.576   0.000   5.143
 95        1.565   3.580   0.000   5.145
 96        1.566   3.574   0.000   5.139
 97        1.567   3.576   0.000   5.143
 98        1.567   3.576   0.000   5.143
 99        1.567   3.576   0.000   5.143
100        1.567   3.576   0.000   5.143
101        1.565   3.580   0.000   5.145
102        1.566   3.574   0.000   5.139
103        1.566   3.574   0.000   5.139
104        1.565   3.580   0.000   5.145
105        1.567   3.576   0.000   5.143
106        1.567   3.576   0.000   5.143
------------------------------------------------
tot      104.688 193.212  65.555 363.455
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.014   0.022   2.019   2.055
  2        0.014   0.022   2.019   2.055
  3        0.001   0.001   0.003   0.005
  4        0.001   0.001   0.003   0.005
  5        0.001   0.001   0.003   0.005
  6        0.001   0.001   0.003   0.005
  7        0.001   0.001   0.003   0.005
  8        0.001   0.001   0.003   0.005
  9       -0.000   0.000   0.000  -0.000
 10       -0.001   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       -0.001   0.000   0.000  -0.000
 17       -0.001   0.000   0.000  -0.000
 18       -0.000   0.000   0.000  -0.000
 19       -0.000   0.000   0.000  -0.000
 20       -0.000   0.000   0.000  -0.000
 21       -0.000   0.000   0.000  -0.000
 22       -0.001   0.000   0.000  -0.000
 23       -0.000   0.000   0.000  -0.000
 24       -0.000   0.000   0.000  -0.000
 25       -0.000   0.000   0.000  -0.000
 26       -0.000   0.000   0.000  -0.000
 27       -0.000   0.000   0.000  -0.000
 28       -0.001   0.000   0.000  -0.000
 29       -0.001   0.000   0.000  -0.000
 30       -0.000   0.000   0.000  -0.000
 31       -0.000   0.000   0.000  -0.000
 32       -0.000   0.000   0.000  -0.000
 33        0.000   0.009   0.000   0.009
 34        0.000   0.012   0.000   0.013
 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   0.009   0.000   0.009
 40        0.000   0.012   0.000   0.013
 41        0.000   0.012   0.000   0.013
 42        0.000   0.009   0.000   0.009
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.009   0.000   0.009
 46        0.000   0.012   0.000   0.013
 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   0.009   0.000   0.009
 52        0.000   0.012   0.000   0.013
 53        0.000   0.012   0.000   0.013
 54        0.000   0.009   0.000   0.009
 55        0.000   0.000   0.000   0.000
 56        0.000   0.000   0.000   0.000
 57        0.005   0.058   0.000   0.063
 58        0.000   0.021   0.000   0.021
 59        0.000   0.001   0.000   0.001
 60        0.000   0.000   0.000   0.000
 61        0.000   0.001   0.000   0.001
 62        0.000   0.000   0.000   0.000
 63        0.005   0.058   0.000   0.063
 64        0.000   0.021   0.000   0.021
 65        0.005   0.058   0.000   0.063
 66        0.000   0.021   0.000   0.021
 67        0.000   0.001   0.000   0.001
 68        0.000   0.000   0.000   0.000
 69        0.005   0.058   0.000   0.063
 70        0.000   0.021   0.000   0.021
 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        0.005   0.058   0.000   0.063
 76        0.000   0.021   0.000   0.021
 77        0.005   0.058   0.000   0.063
 78        0.000   0.021   0.000   0.021
 79        0.000   0.001   0.000   0.001
 80        0.000   0.000   0.000   0.000
 81       -0.001   0.016   0.000   0.015
 82       -0.001   0.016   0.000   0.015
 83        0.000  -0.015   0.000  -0.015
 84        0.001   0.035   0.000   0.035
 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  -0.015   0.000  -0.015
 90        0.001   0.035   0.000   0.035
 91        0.001   0.035   0.000   0.035
 92        0.000  -0.015   0.000  -0.015
 93        0.000   0.001   0.000   0.001
 94        0.000   0.001   0.000   0.001
 95        0.000  -0.015   0.000  -0.015
 96        0.001   0.035   0.000   0.035
 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   0.001   0.000   0.001
101        0.000  -0.015   0.000  -0.015
102        0.001   0.035   0.000   0.035
103        0.001   0.035   0.000   0.035
104        0.000  -0.015   0.000  -0.015
105        0.000   0.001   0.000   0.001
106        0.000   0.001   0.000   0.001
------------------------------------------------
tot        0.074   0.816   4.053   4.943
 

 total amount of memory used by VASP on root node   616830. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :     122998. kBytes
   fftplans  :      15971. kBytes
   grid      :      46623. kBytes
   one-center:        342. kBytes
   wavefun   :     400896. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      977.034
                            User time (sec):      969.962
                          System time (sec):        7.072
                         Elapsed time (sec):      985.923
  
                   Maximum memory used (kb):      853292.
                   Average memory used (kb):           0.
  
                          Minor page faults:       242001
                          Major page faults:            9
                 Voluntary context switches:        10813
