 vasp.5.4.1 05Feb16 (build Feb 20 2018 13:01:38) complex                        
  
 executed on        LinuxIFC_ompi date 2018.09.01  17:15:02
 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 Zn 06Sep2000                  
 POTCAR:    PAW_PBE Co 02Aug2007                  
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE O 08Apr2002                   
 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 Co 02Aug2007                  
   VRHFIN =Co: d8 s1                                                            
   LEXCH  = PE                                                                  
   EATOM  =   813.3670 eV,   59.7808 Ry                                         
                                                                                
   TITEL  = PAW_PBE Co 02Aug2007                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   58.933; ZVAL   =    9.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.460; RWIGS  =    1.302    wigner-seitz radius (au A)           
   ENMAX  =  267.968; ENMIN  =  200.976 eV                                      
   RCLOC  =    1.203    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  477.818                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.360    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.393    radius for radial grids                                 
   RDEPT  =    1.864    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    9 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -7587.6674   2.0000                                         
     2  0  0.50      -893.6084   2.0000                                         
     2  1  1.50      -764.5805   6.0000                                         
     3  0  0.50       -97.5973   2.0000                                         
     3  1  1.50       -60.9648   6.0000                                         
     3  2  2.50        -4.2382   8.0000                                         
     4  0  0.50        -4.3746   1.0000                                         
     4  1  1.50        -4.0817   0.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2     -4.2382362     23  2.300                                             
     2     -5.5988188     23  2.300                                             
     0     -4.3745797     23  2.300                                             
     0      5.7660125     23  2.300                                             
     1     -2.7211652     23  2.300                                             
     1     16.9860234     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 Zn 06Sep2000                  :
 energy of atom  1       EATOM=-1748.8345
 kinetic energy error for atom=    0.0029 (will be added to EATOM!!)
  PAW_PBE Co 02Aug2007                  :
 energy of atom  2       EATOM= -813.3670
 kinetic energy error for atom=    0.0028 (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: Zn Co  H  C  O                          
  positions in cartesian coordinates
  No initial velocities read in
 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: Zn Co  H  C  O                          
  positions in cartesian coordinates
  No initial velocities read in
 


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


 ion  position               nearest neighbor table
   1  0.291  0.125  0.292-  89 1.95  86 1.95  98 1.97  92 1.97
   2  0.290  0.296  0.121-  96 1.96  86 1.96  90 1.97  93 1.98
   3  0.290  0.296  0.292-  95 1.96  86 1.96  91 1.97  99 1.98
   4  0.707  0.883  0.705- 101 1.96 110 1.97 104 1.97  87 1.98
   5  0.708  0.708  0.705- 108 1.96 105 1.97 102 1.97  87 1.98
   6  0.708  0.708  0.879- 107 1.96 111 1.97 103 1.97  87 1.98
   7  0.107  0.313  0.290- 112 1.63  88 1.94  94 1.98  97 1.99  86 2.03
   8  0.882  0.711  0.703-  87 1.94 109 1.96 106 1.96 100 1.96
   9  0.924  0.176  0.450-  37 1.09
  10  0.160  0.945  0.447-  38 1.09
  11  0.453  0.452  0.931-  39 1.09
  12  0.453  0.452  0.165-  40 1.09
  13  0.451  0.933  0.165-  41 1.09
  14  0.450  0.167  0.932-  42 1.09
  15  0.932  0.431  0.473-  43 1.09
  16  0.165  0.439  0.464-  44 1.09
  17  0.166  0.440  0.931-  45 1.09
  18  0.932  0.431  0.164-  46 1.09
  19  0.450  0.933  0.451-  47 1.09
  20  0.450  0.167  0.451-  48 1.09
  21  0.067  0.846  0.543-  49 1.09
  22  0.831  0.076  0.546-  50 1.09
  23  0.549  0.549  0.834-  51 1.09
  24  0.549  0.549  0.068-  52 1.09
  25  0.547  0.071  0.548-  53 1.09
  26  0.547  0.837  0.548-  54 1.09
  27  0.070  0.545  0.834-  55 1.09
  28  0.837  0.538  0.067-  56 1.09
  29  0.836  0.538  0.558-  57 1.09
  30  0.070  0.545  0.551-  58 1.09
  31  0.547  0.071  0.835-  59 1.09
  32  0.547  0.837  0.068-  60 1.09
  33  0.156  0.527  0.128-  85 1.10
  34  0.145  0.606  0.023-  85 1.10
  35  0.248  0.562  0.041-  85 1.10
  36  0.153  0.637  0.096-  85 1.10
  37  0.955  0.104  0.471-   9 1.09  50 1.39  62 1.40
  38  0.088  0.973  0.469-  10 1.09  49 1.39  62 1.41
  39  0.474  0.474  0.960-  11 1.09  51 1.39  64 1.40
  40  0.474  0.474  0.092-  12 1.09  52 1.39  64 1.40
  41  0.472  0.962  0.093-  13 1.09  60 1.39  66 1.40
  42  0.472  0.095  0.961-  14 1.09  59 1.39  66 1.40
  43  0.961  0.456  0.491-  15 1.09  57 1.39  68 1.40
  44  0.093  0.460  0.486-  16 1.09  58 1.39  68 1.41
  45  0.094  0.461  0.960-  17 1.09  55 1.39  70 1.41
  46  0.962  0.456  0.091-  18 1.09  56 1.39  70 1.40
  47  0.472  0.963  0.473-  19 1.09  54 1.39  72 1.40
  48  0.471  0.095  0.473-  20 1.09  53 1.39  72 1.40
  49  0.037  0.918  0.523-  21 1.09  38 1.39  74 1.40
  50  0.903  0.048  0.524-  22 1.09  37 1.39  74 1.41
  51  0.527  0.527  0.907-  23 1.09  39 1.39  76 1.40
  52  0.528  0.527  0.039-  24 1.09  40 1.39  76 1.40
  53  0.525  0.042  0.526-  25 1.09  48 1.39  78 1.40
  54  0.525  0.909  0.526-  26 1.09  47 1.39  78 1.40
  55  0.041  0.520  0.906-  27 1.09  45 1.39  80 1.40
  56  0.909  0.516  0.038-  28 1.09  46 1.39  80 1.41
  57  0.908  0.516  0.538-  29 1.09  43 1.39  82 1.41
  58  0.040  0.520  0.534-  30 1.09  44 1.39  82 1.40
  59  0.525  0.041  0.907-  31 1.09  42 1.39  84 1.40
  60  0.526  0.909  0.039-  32 1.09  41 1.39  84 1.40
  61  0.107  0.123  0.385-  89 1.27  88 1.28  62 1.50
  62  0.048  0.067  0.443-  37 1.40  38 1.41  61 1.50
  63  0.389  0.389  0.111-  91 1.28  90 1.28  64 1.50
  64  0.447  0.446  0.053-  39 1.40  40 1.40  63 1.50
  65  0.387  0.113  0.112-  93 1.28  92 1.28  66 1.50
  66  0.445  0.055  0.054-  42 1.40  41 1.40  65 1.50
  67  0.113  0.369  0.409-  95 1.27  94 1.29  68 1.50
  68  0.054  0.428  0.465-  43 1.40  44 1.41  67 1.50
  69  0.114  0.369  0.109-  96 1.27  97 1.29  70 1.50
  70  0.055  0.428  0.053-  46 1.40  45 1.41  69 1.50
  71  0.387  0.113  0.388-  99 1.28  98 1.28  72 1.50
  72  0.445  0.056  0.446-  48 1.40  47 1.40  71 1.50
  73  0.887  0.896  0.608- 101 1.28 100 1.28  74 1.50
  74  0.943  0.955  0.551-  49 1.40  50 1.41  73 1.50
  75  0.612  0.612  0.888- 102 1.28 103 1.28  76 1.50
  76  0.555  0.554  0.946-  51 1.40  52 1.40  75 1.50
  77  0.610  0.891  0.610- 104 1.28 105 1.28  78 1.50
  78  0.552  0.948  0.553-  54 1.40  53 1.40  77 1.50
  79  0.890  0.611  0.887- 107 1.28 106 1.28  80 1.50
  80  0.948  0.548  0.945-  55 1.40  56 1.41  79 1.50
  81  0.890  0.611  0.612- 108 1.28 109 1.28  82 1.50
  82  0.947  0.548  0.560-  58 1.40  57 1.41  81 1.50
  83  0.610  0.891  0.888- 110 1.28 111 1.28  84 1.50
  84  0.553  0.948  0.946-  60 1.40  59 1.40  83 1.50
  85  0.176  0.583  0.072-  33 1.10  35 1.10  36 1.10  34 1.10
  86  0.242  0.255  0.252-   1 1.95   3 1.96   2 1.96   7 2.03
  87  0.754  0.752  0.747-   8 1.94   4 1.98   5 1.98   6 1.98
  88  0.071  0.208  0.360-  61 1.28   7 1.94
  89  0.190  0.081  0.365-  61 1.27   1 1.95
  90  0.368  0.366  0.071-  63 1.28   2 1.97
  91  0.366  0.368  0.195-  63 1.28   3 1.97
  92  0.365  0.073  0.196-  65 1.28   1 1.97
  93  0.366  0.197  0.072-  65 1.28   2 1.98
  94  0.079  0.326  0.403-  67 1.29   7 1.98
  95  0.194  0.366  0.370-  67 1.27   3 1.96
  96  0.194  0.366  0.070-  69 1.27   2 1.96
  97  0.079  0.327  0.192-  69 1.29   7 1.99
  98  0.365  0.074  0.366-  71 1.28   1 1.97
  99  0.365  0.198  0.365-  71 1.28   3 1.98
 100  0.927  0.811  0.631-  73 1.28   8 1.96
 101  0.803  0.934  0.631-  73 1.28   4 1.96
 102  0.634  0.635  0.804-  75 1.28   5 1.97
 103  0.634  0.634  0.927-  75 1.28   6 1.97
 104  0.633  0.931  0.632-  77 1.28   4 1.97
 105  0.633  0.807  0.633-  77 1.28   5 1.97
 106  0.929  0.636  0.803-  79 1.28   8 1.96
 107  0.806  0.634  0.927-  79 1.28   6 1.96
 108  0.806  0.634  0.632-  81 1.28   5 1.96
 109  0.928  0.637  0.632-  81 1.28   8 1.96
 110  0.633  0.931  0.804-  83 1.28   4 1.97
 111  0.633  0.806  0.928-  83 1.28   6 1.97
 112  0.108  0.415  0.239-   7 1.63
 

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     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      4 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      2.000000
 -0.250000  0.250000  0.250000      2.000000
  0.250000 -0.250000  0.250000      2.000000
 -0.250000 -0.250000  0.250000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.013583  0.007874  0.005563      2.000000
 -0.013583  0.023526  0.016623      2.000000
  0.013583 -0.023526  0.016690      2.000000
 -0.013583 -0.007874  0.027749      2.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =      4   k-points in BZ     NKDIM =      4   number of bands    NBANDS=    300
   number of dos      NEDOS =    301   number of ions     NIONS =    112
   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=  24798
   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 =               6   2  28  49  27
 NGX,Y,Z   is equivalent  to a cutoff of  12.65, 12.66, 12.66 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  25.29, 25.33, 25.33 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =   137 NGY =  137 NGZ =  137
 SYSTEM =  unknown system                          
 POSCAR =  Zn Co  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.  34.22 34.17 34.17*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =    150;   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=  -0.774E-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 =  65.39 58.93  1.00 12.01 16.00
  Ionic Valenz
   ZVAL   =  12.00  9.00  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 =     476.0000    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 =  0.83E-09  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      39.28       265.05
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.780114  1.474202  8.280205  0.608578
  Thomas-Fermi vector in A             =   1.883358
 
 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           62
 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 :     4399.03
      direct lattice vectors                 reciprocal lattice vectors
    18.405800000  0.000000000  0.000000000     0.054330700 -0.031304154 -0.022118545
     9.174896317 15.923718486  0.000000000     0.000000000  0.062799402 -0.022253626
     9.174896317  5.318672524 15.009214936     0.000000000  0.000000000  0.066625737

  length of vectors
    18.405800000 18.377800000 18.377800000     0.066490639  0.066625737  0.066625737


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      520.00
  volume of cell :     4399.03
      direct lattice vectors                 reciprocal lattice vectors
    18.405800000  0.000000000  0.000000000     0.054330700 -0.031304154 -0.022118545
     9.174896317 15.923718486  0.000000000     0.000000000  0.062799402 -0.022253626
     9.174896317  5.318672524 15.009214936     0.000000000  0.000000000  0.066625737

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: KPOINTS created by Atomic Simulation Env
   0.01358268  0.00787381  0.00556339       0.250
  -0.01358268  0.02352589  0.01662266       0.250
   0.01358268 -0.02352589  0.01669020       0.250
  -0.01358268 -0.00787381  0.02774948       0.250
 
 k-points in reciprocal lattice and weights: KPOINTS created by Atomic Simulation Env
   0.25000000  0.25000000  0.25000000       0.250
  -0.25000000  0.25000000  0.25000000       0.250
   0.25000000 -0.25000000  0.25000000       0.250
  -0.25000000 -0.25000000  0.25000000       0.250
 
 position of ions in fractional coordinates (direct lattice) 
   0.29067902  0.12499716  0.29211055
   0.29049677  0.29618040  0.12103898
   0.29005106  0.29646817  0.29235573
   0.70675509  0.88322282  0.70492561
   0.70768247  0.70827312  0.70491428
   0.70802047  0.70801425  0.87903332
   0.10714103  0.31338859  0.29005514
   0.88248280  0.71069313  0.70330194
   0.92392060  0.17574572  0.45011881
   0.16047812  0.94530997  0.44701006
   0.45252829  0.45206509  0.93097341
   0.45269070  0.45203304  0.16458489
   0.45076192  0.93272067  0.16517253
   0.45016320  0.16689270  0.93189751
   0.93174086  0.43072343  0.47343982
   0.16532601  0.43914993  0.46448998
   0.16595277  0.43986101  0.93076554
   0.93222282  0.43104643  0.16364947
   0.45035900  0.93319755  0.45132407
   0.44980882  0.16724679  0.45118949
   0.06740572  0.84595816  0.54322961
   0.83099718  0.07629434  0.54632438
   0.54879333  0.54881095  0.83434144
   0.54911674  0.54860584  0.06810816
   0.54650986  0.07101242  0.54757428
   0.54697300  0.83694990  0.54766022
   0.07048386  0.54493130  0.83410425
   0.83663376  0.53808273  0.06703215
   0.83607118  0.53838693  0.55789260
   0.06977913  0.54479732  0.55089890
   0.54670834  0.07074637  0.83497239
   0.54727550  0.83659092  0.06839332
   0.15607546  0.52689634  0.12842510
   0.14462100  0.60639182  0.02329102
   0.24816175  0.56187931  0.04107077
   0.15342998  0.63730374  0.09623355
   0.95506796  0.10353457  0.47064087
   0.08821077  0.97339020  0.46911114
   0.47410205  0.47361732  0.96022477
   0.47421704  0.47357250  0.09221002
   0.47210396  0.96225054  0.09282831
   0.47180719  0.09451217  0.96097564
   0.96137451  0.45566890  0.49106366
   0.09312252  0.46047436  0.48619198
   0.09374307  0.46094633  0.95988432
   0.96190630  0.45592633  0.09144715
   0.47175248  0.96266050  0.47281820
   0.47148183  0.09487036  0.47279488
   0.03650951  0.91817161  0.52259162
   0.90327855  0.04814426  0.52425194
   0.52745741  0.52723340  0.90669499
   0.52762900  0.52712784  0.03871355
   0.52506537  0.04152705  0.52615477
   0.52532651  0.90930864  0.52619807
   0.04073909  0.51971642  0.90625659
   0.90883064  0.51553978  0.03775747
   0.90825291  0.51561328  0.53785025
   0.04008527  0.51955534  0.53368148
   0.52530853  0.04122352  0.90732194
   0.52563809  0.90895007  0.03916860
   0.10703022  0.12315483  0.38482293
   0.04813495  0.06660155  0.44254946
   0.38923025  0.38915539  0.11093918
   0.44706796  0.44647403  0.05333723
   0.38744929  0.11302167  0.11159078
   0.44487607  0.05538907  0.05406612
   0.11329747  0.36873985  0.40867161
   0.05428941  0.42790663  0.46456993
   0.11364077  0.36936310  0.10918626
   0.05482621  0.42841473  0.05289750
   0.38713398  0.11341341  0.38797965
   0.44452635  0.05579039  0.44574084
   0.88725401  0.89575578  0.60843888
   0.94340227  0.95497692  0.55076831
   0.61201397  0.61213420  0.88794851
   0.55459997  0.55438504  0.94555712
   0.61025562  0.89098252  0.61041834
   0.55238442  0.94836844  0.55319216
   0.89019039  0.61080860  0.88726759
   0.94773153  0.54774533  0.94472963
   0.88960306  0.61103366  0.61159095
   0.94710486  0.54784992  0.55979610
   0.61044714  0.89073343  0.88828963
   0.55263712  0.94805845  0.94606014
   0.17564519  0.58323836  0.07221097
   0.24154890  0.25500127  0.25168338
   0.75373853  0.75158977  0.74728159
   0.07084031  0.20824864  0.36025668
   0.19020881  0.08076583  0.36452473
   0.36780989  0.36608433  0.07125956
   0.36606293  0.36782368  0.19510681
   0.36497070  0.07333858  0.19586034
   0.36558262  0.19714839  0.07208838
   0.07901797  0.32598164  0.40327359
   0.19385608  0.36623879  0.36958029
   0.19439777  0.36621721  0.07020554
   0.07891954  0.32735648  0.19174287
   0.36487228  0.07368272  0.36571666
   0.36512378  0.19755450  0.36532757
   0.92729528  0.81135801  0.63057529
   0.80299060  0.93440333  0.63125420
   0.63409867  0.63473453  0.80369227
   0.63448061  0.63439992  0.92748222
   0.63260352  0.93082931  0.63241082
   0.63279197  0.80671043  0.63277260
   0.92891409  0.63632744  0.80276817
   0.80617340  0.63403103  0.92743225
   0.80557903  0.63429928  0.63225492
   0.92843037  0.63652197  0.63175789
   0.63261987  0.93063991  0.80411268
   0.63312019  0.80645248  0.92762014
   0.10840117  0.41525352  0.23928900
 
 position of ions in cartesian coordinates  (Angst):
   9.17710000  3.54406000  4.38435000
   9.17477000  5.36006000  1.81670000
  10.74102000  6.27582000  4.38803000
  27.57949000 17.81346000 10.58038000
  25.99131000 15.02755000 10.58021000
  27.59268000 15.94951000 13.19360000
   7.50855000  6.53302000  4.35350000
  29.21606000 15.05751000 10.55601000
  22.74774000  5.19256000  6.75593000
  15.72812000 17.43035000  6.70927000
  21.01838000 12.15010000 13.97318000
  13.98954000  8.07342000  2.47029000
  18.36969000 15.73088000  2.47911000
  18.36690000  7.61401000 13.98705000
  25.44504000  9.37679000  7.10596000
  11.33376000  9.46337000  6.97163000
  15.62985000 11.95466000 13.97006000
  22.61458000  7.73426000  2.45625000
  20.99206000 17.26042000  6.77402000
  13.95318000  5.06292000  6.77200000
  13.98631000 16.36006000  8.15345000
  21.00763000  4.12061000  8.19990000
  22.79126000 13.17670000 12.52281000
  15.76522000  9.09809000  1.02225000
  15.73442000  4.04315000  8.21866000
  22.77113000 16.24018000  8.21995000
  13.94982000 13.11366000 12.51925000
  20.95078000  8.92480000  1.00610000
  25.44681000 11.54037000  8.37353000
  11.33724000 11.60525000  8.26856000
  18.37248000  5.56749000 12.53228000
  18.37618000 13.68540000  1.02653000
   8.88520000  9.07320000  1.92756000
   8.43914000  9.77989000  0.34958000
  10.09962000  9.16565000  0.61644000
   9.55413000 10.66008000  1.44439000
  22.84679000  4.15184000  7.06395000
  14.85839000 17.99504000  7.04099000
  21.88158000 12.64887000 14.41222000
  13.91934000  8.03147000  1.38400000
  18.36969000 15.81633000  1.39328000
  18.36798000  6.61610000 14.42349000
  26.38104000  9.86775000  7.37048000
  10.39956000  9.91836000  7.29736000
  14.76139000 12.44529000 14.40711000
  22.72675000  7.74642000  1.37255000
  21.85335000 17.84390000  7.09663000
  13.88627000  4.02533000  7.09628000
  13.89084000 17.40020000  7.84369000
  21.87724000  3.55496000  7.86861000
  22.86442000 13.21793000 13.60878000
  14.90297000  8.59974000  0.58106000
  14.87267000  3.45971000  7.89717000
  22.83968000 17.27825000  7.89782000
  13.83299000 13.09590000 13.60220000
  21.80420000  8.41013000  0.56671000
  26.38254000 11.07113000  8.07271000
  10.40114000 11.11173000  8.01014000
  18.37153000  5.48218000 13.61819000
  18.37368000 14.68219000  0.58789000
   6.63062000  4.00783000  5.77589000
   5.55737000  3.41432000  6.64232000
  11.75241000  6.78685000  1.66511000
  12.81436000  7.39321000  0.80055000
   9.19211000  2.39324000  1.67489000
   9.19254000  1.16956000  0.81149000
   9.21800000  8.04530000  6.13384000
   9.18762000  9.28476000  6.97283000
   6.48229000  6.46236000  1.63880000
   5.42511000  7.10330000  0.79395000
  11.72574000  3.86950000  5.82327000
  12.78336000  3.25914000  6.69022000
  30.13145000 17.49985000  9.13219000
  31.17913000 18.13614000  8.26660000
  25.02771000 14.47016000 13.32741000
  23.96967000 13.85698000 14.19207000
  25.00744000 17.43437000  9.16190000
  23.94374000 18.04380000  8.30298000
  30.12936000 14.44543000 13.31719000
  31.13706000 13.74685000 14.17965000
  27.59131000 12.98278000  9.17950000
  27.59476000 11.70118000  8.40210000
  27.55812000 18.90831000 13.33253000
  27.55007000 20.12840000 14.19962000
   9.24657000  9.67139000  1.08383000
   9.09468000  5.39919000  3.77757000
  27.62515000 15.94265000 11.21611000
   6.51985000  5.23218000  5.40717000
   7.58644000  3.22488000  5.47123000
  10.78242000  6.20843000  1.06955000
  11.90251000  6.89483000  2.92840000
   9.18745000  2.20954000  2.93971000
   9.19906000  3.52275000  1.08199000
   8.14523000  7.33572000  6.05282000
  10.31914000  7.79756000  5.54711000
   7.58218000  6.20494000  1.05373000
   6.21526000  6.23255000  2.87791000
  10.74721000  3.11843000  5.48912000
  11.88478000  5.08886000  5.48328000
  30.29720000 16.27366000  9.46444000
  29.14443000 18.23661000  9.47463000
  24.86851000 14.38191000 12.06279000
  26.00823000 15.03498000 13.92078000
  25.98614000 18.18585000  9.49199000
  24.85415000 16.21134000  9.49742000
  30.30096000 14.40236000 12.04892000
  29.16453000 15.02884000 13.92003000
  26.44783000 13.46316000  9.48965000
  28.72484000 13.49591000  9.48219000
  27.56005000 19.09606000 12.06910000
  27.56302000 17.77543000 13.92285000
   8.00057000  7.88508000  3.59154000
 


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


 k-point  1 :   0.2500 0.2500 0.2500  plane waves:  118410
 k-point  2 :  -0.2500 0.2500 0.2500  plane waves:  118458
 k-point  3 :   0.2500-0.2500 0.2500  plane waves:  118458
 k-point  4 :  -0.2500-0.2500 0.2500  plane waves:  118458

 maximum and minimum number of plane-waves per node :     11865    11807

 maximum number of plane-waves:    118458
 maximum index in each direction: 
   IXMAX=   34   IYMAX=   34   IZMAX=   33
   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 136

 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   286306. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      55456. kBytes
   fftplans  :      15962. kBytes
   grid      :      46623. kBytes
   one-center:        373. kBytes
   wavefun   :     137892. kBytes
 
     INWAV:  cpu time   16.5367: real time   16.5738
 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          753 (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    0.0059: real time    0.0059


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


    POTLOK:  cpu time    0.7075: real time    0.7076
    SETDIJ:  cpu time    0.0274: real time    0.0274
    TRIAL :  cpu time   22.7182: real time   22.7885
    CORREC:  cpu time    7.9715: real time    7.9986
    CHARGE:  cpu time    2.4127: real time    2.4197
    --------------------------------------------
      LOOP:  cpu time   33.8793: real time   33.9850

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7573764E+03  (-0.4262570E-08)
 number of electron     475.9999989 magnetization       6.0000001
 augmentation part       81.4834351 magnetization       3.9831033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       279.74612822
  Ewald energy   TEWEN  =     32930.37636183
  -Hartree energ DENC   =    -60514.43029918
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1890.36586441
  PAW double counting   =     45145.49531382   -46413.18195825
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5429.06233033
  atomic energy  EATOM  =     31353.31453546
  ---------------------------------------------------
  free energy    TOTEN  =      -757.37638403 eV

  energy without entropy =     -757.37638403  energy(sigma->0) =     -757.37638403


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




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


    POTLOK:  cpu time    0.6901: real time    0.6911
    SETDIJ:  cpu time    0.0269: real time    0.0269
    TRIAL :  cpu time   22.7509: real time   22.7736
    CORREC:  cpu time    7.9656: real time    7.9721
    CHARGE:  cpu time    2.4201: real time    2.4235
    --------------------------------------------
      LOOP:  cpu time   33.8546: real time   33.8880

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2968591E-08  (-0.3284683E-08)
 number of electron     475.9999989 magnetization       6.0000001
 augmentation part       81.4834380 magnetization       3.9831028

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       279.74612822
  Ewald energy   TEWEN  =     32930.37636183
  -Hartree energ DENC   =    -60514.43012457
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1890.36586576
  PAW double counting   =     45145.50045666   -46413.18702703
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =     -5429.06258036
  atomic energy  EATOM  =     31353.31453546
  ---------------------------------------------------
  free energy    TOTEN  =      -757.37638402 eV

  energy without entropy =     -757.37638402  energy(sigma->0) =     -757.37638402


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


  average scaling for gradient   1.0099


 average (electrostatic) potential at core
  the test charge radii are     0.9521  1.0452  0.5201  0.6991  0.7215
  (the norm of the test charge is              1.0000)
       1 -41.6412       2 -41.6012       3 -41.6004       4 -41.7516       5 -41.7512
       6 -41.7518       7 -93.5227       8 -92.1811       9 -40.9642      10 -40.8682
      11 -40.8343      12 -40.8299      13 -40.8570      14 -40.8538      15 -40.9427
      16 -40.8774      17 -40.8762      18 -40.9382      19 -40.8559      20 -40.8559
      21 -40.9083      22 -40.9004      23 -40.8520      24 -40.8516      25 -40.8679
      26 -40.8666      27 -40.9021      28 -40.8849      29 -40.8870      30 -40.9013
      31 -40.8668      32 -40.8671      33 -39.5939      34 -39.7213      35 -39.7389
      36 -39.7196      37 -57.8441      38 -57.7818      39 -57.7281      40 -57.7263
      41 -57.7475      42 -57.7439      43 -57.8230      44 -57.7772      45 -57.7778
      46 -57.8193      47 -57.7468      48 -57.7447      49 -57.7964      50 -57.8099
      51 -57.7390      52 -57.7384      53 -57.7546      54 -57.7535      55 -57.7864
      56 -57.7897      57 -57.7917      58 -57.7847      59 -57.7539      60 -57.7536
      61 -60.8262      62 -58.1518      63 -60.6370      64 -58.0384      65 -60.6479
      66 -58.0574      67 -60.7001      68 -58.1283      69 -60.6983      70 -58.1266
      71 -60.6487      72 -58.0571      73 -60.7115      74 -58.1403      75 -60.7051
      76 -58.0572      77 -60.7183      78 -58.0694      79 -60.6996      80 -58.1221
      81 -60.6993      82 -58.1221      83 -60.7182      84 -58.0690      85 -56.0798
      86 -78.7816      87 -79.0086      88 -79.7026      89 -79.4914      90 -79.3709
      91 -79.3731      92 -79.3901      93 -79.3625      94 -79.5765      95 -79.4720
      96 -79.4689      97 -79.5734      98 -79.3904      99 -79.3641     100 -79.5406
     101 -79.4504     102 -79.4367     103 -79.4366     104 -79.4524     105 -79.4525
     106 -79.5299     107 -79.4416     108 -79.4421     109 -79.5298     110 -79.4516
     111 -79.4520     112 -79.4665
 
 
 
 E-fermi :  -3.3961     XC(G=0):  -3.1088     alpha+bet : -1.9936


 spin component 1

 k-point     1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -26.0008      1.00000
      2     -25.9263      1.00000
      3     -25.9074      1.00000
      4     -25.8935      1.00000
      5     -25.8911      1.00000
      6     -25.8887      1.00000
      7     -25.8883      1.00000
      8     -25.8718      1.00000
      9     -25.8602      1.00000
     10     -25.8365      1.00000
     11     -25.8119      1.00000
     12     -25.8056      1.00000
     13     -23.8211      1.00000
     14     -23.7185      1.00000
     15     -23.7120      1.00000
     16     -23.7044      1.00000
     17     -23.7023      1.00000
     18     -23.6894      1.00000
     19     -23.6661      1.00000
     20     -23.6607      1.00000
     21     -23.6395      1.00000
     22     -23.6164      1.00000
     23     -23.6138      1.00000
     24     -23.5792      1.00000
     25     -22.2359      1.00000
     26     -22.1361      1.00000
     27     -21.8452      1.00000
     28     -20.3431      1.00000
     29     -20.3348      1.00000
     30     -20.3331      1.00000
     31     -20.3066      1.00000
     32     -20.3053      1.00000
     33     -20.2863      1.00000
     34     -18.0354      1.00000
     35     -18.0179      1.00000
     36     -18.0141      1.00000
     37     -17.9839      1.00000
     38     -17.9770      1.00000
     39     -17.9619      1.00000
     40     -17.4229      1.00000
     41     -17.4191      1.00000
     42     -17.4173      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3693      1.00000
     46     -15.3751      1.00000
     47     -15.3172      1.00000
     48     -15.3010      1.00000
     49     -15.2862      1.00000
     50     -15.2551      1.00000
     51     -15.2467      1.00000
     52     -15.0582      1.00000
     53     -13.9270      1.00000
     54     -13.9129      1.00000
     55     -13.9091      1.00000
     56     -13.8836      1.00000
     57     -13.8792      1.00000
     58     -13.8614      1.00000
     59     -13.5429      1.00000
     60     -13.4077      1.00000
     61     -13.3513      1.00000
     62     -13.3239      1.00000
     63     -13.2503      1.00000
     64     -13.2401      1.00000
     65     -12.6823      1.00000
     66     -12.6140      1.00000
     67     -12.5953      1.00000
     68     -12.5827      1.00000
     69     -12.5463      1.00000
     70     -12.5397      1.00000
     71     -11.8958      1.00000
     72     -11.7779      1.00000
     73     -11.7529      1.00000
     74     -11.7242      1.00000
     75     -11.7049      1.00000
     76     -11.6875      1.00000
     77     -11.6713      1.00000
     78     -11.6007      1.00000
     79     -11.5919      1.00000
     80     -11.5645      1.00000
     81     -11.5514      1.00000
     82     -11.4927      1.00000
     83     -11.4431      1.00000
     84     -11.4089      1.00000
     85     -11.3858      1.00000
     86     -11.2653      1.00000
     87     -11.2279      1.00000
     88     -11.1496      1.00000
     89     -10.8331      1.00000
     90     -10.7612      1.00000
     91     -10.7403      1.00000
     92     -10.7317      1.00000
     93     -10.7195      1.00000
     94     -10.7057      1.00000
     95     -10.3146      1.00000
     96     -10.1228      1.00000
     97     -10.0978      1.00000
     98     -10.0917      1.00000
     99     -10.0900      1.00000
    100     -10.0584      1.00000
    101     -10.0503      1.00000
    102     -10.0199      1.00000
    103     -10.0160      1.00000
    104      -9.9869      1.00000
    105      -9.9239      1.00000
    106      -9.8816      1.00000
    107      -9.8751      1.00000
    108      -9.8660      1.00000
    109      -9.8525      1.00000
    110      -9.8150      1.00000
    111      -9.7910      1.00000
    112      -9.7852      1.00000
    113      -9.7788      1.00000
    114      -9.7571      1.00000
    115      -9.7479      1.00000
    116      -9.7287      1.00000
    117      -9.7256      1.00000
    118      -9.7211      1.00000
    119      -9.6979      1.00000
    120      -9.6946      1.00000
    121      -9.6856      1.00000
    122      -9.6426      1.00000
    123      -9.6229      1.00000
    124      -9.5755      1.00000
    125      -9.3651      1.00000
    126      -9.3463      1.00000
    127      -9.2611      1.00000
    128      -9.2383      1.00000
    129      -9.1801      1.00000
    130      -9.1765      1.00000
    131      -9.1469      1.00000
    132      -9.1391      1.00000
    133      -9.1240      1.00000
    134      -9.1176      1.00000
    135      -9.1131      1.00000
    136      -9.1015      1.00000
    137      -9.0890      1.00000
    138      -9.0774      1.00000
    139      -9.0682      1.00000
    140      -9.0314      1.00000
    141      -8.9971      1.00000
    142      -8.9873      1.00000
    143      -8.9588      1.00000
    144      -8.8242      1.00000
    145      -8.7745      1.00000
    146      -8.7651      1.00000
    147      -8.7052      1.00000
    148      -8.6616      1.00000
    149      -8.6256      1.00000
    150      -8.6171      1.00000
    151      -8.5324      1.00000
    152      -8.4689      1.00000
    153      -8.4623      1.00000
    154      -8.4017      1.00000
    155      -8.3644      1.00000
    156      -8.3243      1.00000
    157      -8.2988      1.00000
    158      -8.2454      1.00000
    159      -8.2396      1.00000
    160      -8.2179      1.00000
    161      -8.2086      1.00000
    162      -8.1730      1.00000
    163      -8.0954      1.00000
    164      -7.9722      1.00000
    165      -7.9178      1.00000
    166      -7.8939      1.00000
    167      -7.8204      1.00000
    168      -7.8058      1.00000
    169      -7.7983      1.00000
    170      -7.7731      1.00000
    171      -7.7571      1.00000
    172      -7.6767      1.00000
    173      -7.6590      1.00000
    174      -7.5116      1.00000
    175      -7.4972      1.00000
    176      -7.4858      1.00000
    177      -7.4233      1.00000
    178      -7.2770      1.00000
    179      -7.2333      1.00000
    180      -7.1404      1.00000
    181      -7.1133      1.00000
    182      -7.0960      1.00000
    183      -7.0261      1.00000
    184      -7.0207      1.00000
    185      -7.0110      1.00000
    186      -6.9965      1.00000
    187      -6.9339      1.00000
    188      -6.9247      1.00000
    189      -6.6464      1.00000
    190      -6.6405      1.00000
    191      -6.6283      1.00000
    192      -6.5926      1.00000
    193      -6.5505      1.00000
    194      -6.5394      1.00000
    195      -6.5323      1.00000
    196      -6.3283      1.00000
    197      -6.2963      1.00000
    198      -6.2776      1.00000
    199      -6.2557      1.00000
    200      -6.2454      1.00000
    201      -6.1410      1.00000
    202      -6.1147      1.00000
    203      -6.0220      1.00000
    204      -5.9599      1.00000
    205      -5.9180      1.00000
    206      -5.9100      1.00000
    207      -5.8666      1.00000
    208      -5.7851      1.00000
    209      -5.7607      1.00000
    210      -5.7413      1.00000
    211      -5.7335      1.00000
    212      -5.7061      1.00000
    213      -5.6789      1.00000
    214      -5.6693      1.00000
    215      -5.6366      1.00000
    216      -5.6118      1.00000
    217      -5.5680      1.00000
    218      -5.5246      1.00000
    219      -5.4683      1.00000
    220      -5.4545      1.00000
    221      -5.4415      1.00000
    222      -5.3826      1.00000
    223      -5.3705      1.00000
    224      -5.3595      1.00000
    225      -5.3571      1.00000
    226      -5.3415      1.00000
    227      -5.3118      1.00000
    228      -5.2962      1.00000
    229      -5.2805      1.00000
    230      -5.2763      1.00000
    231      -5.2751      1.00000
    232      -5.2566      1.00000
    233      -5.1969      1.00000
    234      -5.0960      1.00000
    235      -4.9581      1.00000
    236      -4.8410      1.00000
    237      -4.8346      1.00000
    238      -4.7176      1.00000
    239      -4.7151      1.00000
    240      -4.4603      1.00000
    241      -4.3504      1.00000
    242      -3.2545      0.00000
    243      -1.6689      0.00000
    244      -1.6448      0.00000
    245      -1.6213      0.00000
    246      -1.5926      0.00000
    247      -1.5466      0.00000
    248      -1.5213      0.00000
    249      -0.2471      0.00000
    250      -0.1651      0.00000
    251      -0.1485      0.00000
    252      -0.1410      0.00000
    253      -0.1166      0.00000
    254      -0.1117      0.00000
    255      -0.0947      0.00000
    256       0.0608      0.00000
    257       0.0808      0.00000
    258       0.0866      0.00000
    259       0.1636      0.00000
    260       0.2059      0.00000
    261       0.2859      0.00000
    262       0.3162      0.00000
    263       0.7769      0.00000
    264       0.9084      0.00000
    265       0.9550      0.00000
    266       1.0275      0.00000
    267       1.0951      0.00000
    268       1.1324      0.00000
    269       1.2200      0.00000
    270       1.3792      0.00000
    271       1.4186      0.00000
    272       1.4263      0.00000
    273       1.5619      0.00000
    274       1.6011      0.00000
    275       1.6381      0.00000
    276       1.6708      0.00000
    277       1.7145      0.00000
    278       1.7473      0.00000
    279       1.7802      0.00000
    280       1.8313      0.00000
    281       1.8630      0.00000
    282       1.8858      0.00000
    283       1.9331      0.00000
    284       1.9722      0.00000
    285       2.0288      0.00000
    286       2.0313      0.00000
    287       2.0509      0.00000
    288       2.0930      0.00000
    289       2.1101      0.00000
    290       2.2116      0.00000
    291       2.2262      0.00000
    292       2.2418      0.00000
    293       2.2929      0.00000
    294       2.3412      0.00000
    295       2.4078      0.00000
    296       2.4441      0.00000
    297       2.5122      0.00000
    298       2.5478      0.00000
    299       2.5972      0.00000
    300       2.6654      0.00000

 k-point     2 :      -0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -26.0008      1.00000
      2     -25.9263      1.00000
      3     -25.9074      1.00000
      4     -25.8935      1.00000
      5     -25.8911      1.00000
      6     -25.8889      1.00000
      7     -25.8882      1.00000
      8     -25.8718      1.00000
      9     -25.8602      1.00000
     10     -25.8365      1.00000
     11     -25.8119      1.00000
     12     -25.8056      1.00000
     13     -23.8211      1.00000
     14     -23.7185      1.00000
     15     -23.7120      1.00000
     16     -23.7044      1.00000
     17     -23.7023      1.00000
     18     -23.6894      1.00000
     19     -23.6661      1.00000
     20     -23.6607      1.00000
     21     -23.6395      1.00000
     22     -23.6164      1.00000
     23     -23.6138      1.00000
     24     -23.5793      1.00000
     25     -22.2359      1.00000
     26     -22.1361      1.00000
     27     -21.8452      1.00000
     28     -20.3431      1.00000
     29     -20.3348      1.00000
     30     -20.3331      1.00000
     31     -20.3066      1.00000
     32     -20.3054      1.00000
     33     -20.2863      1.00000
     34     -18.0347      1.00000
     35     -18.0173      1.00000
     36     -18.0137      1.00000
     37     -17.9849      1.00000
     38     -17.9776      1.00000
     39     -17.9620      1.00000
     40     -17.4229      1.00000
     41     -17.4191      1.00000
     42     -17.4173      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3693      1.00000
     46     -15.3606      1.00000
     47     -15.3113      1.00000
     48     -15.3024      1.00000
     49     -15.2939      1.00000
     50     -15.2677      1.00000
     51     -15.2473      1.00000
     52     -15.0582      1.00000
     53     -13.9278      1.00000
     54     -13.9122      1.00000
     55     -13.9083      1.00000
     56     -13.8856      1.00000
     57     -13.8806      1.00000
     58     -13.8616      1.00000
     59     -13.5022      1.00000
     60     -13.4182      1.00000
     61     -13.3398      1.00000
     62     -13.3159      1.00000
     63     -13.2977      1.00000
     64     -13.2486      1.00000
     65     -12.6650      1.00000
     66     -12.6065      1.00000
     67     -12.5951      1.00000
     68     -12.5851      1.00000
     69     -12.5584      1.00000
     70     -12.5401      1.00000
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    299       2.5287      0.00000
    300       2.5458      0.00000

 k-point     3 :       0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
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      2     -25.9264      1.00000
      3     -25.9074      1.00000
      4     -25.8936      1.00000
      5     -25.8911      1.00000
      6     -25.8889      1.00000
      7     -25.8882      1.00000
      8     -25.8718      1.00000
      9     -25.8603      1.00000
     10     -25.8365      1.00000
     11     -25.8119      1.00000
     12     -25.8056      1.00000
     13     -23.8211      1.00000
     14     -23.7185      1.00000
     15     -23.7120      1.00000
     16     -23.7044      1.00000
     17     -23.7023      1.00000
     18     -23.6894      1.00000
     19     -23.6661      1.00000
     20     -23.6607      1.00000
     21     -23.6395      1.00000
     22     -23.6164      1.00000
     23     -23.6138      1.00000
     24     -23.5793      1.00000
     25     -22.2359      1.00000
     26     -22.1361      1.00000
     27     -21.8452      1.00000
     28     -20.3431      1.00000
     29     -20.3348      1.00000
     30     -20.3331      1.00000
     31     -20.3065      1.00000
     32     -20.3054      1.00000
     33     -20.2863      1.00000
     34     -18.0341      1.00000
     35     -18.0186      1.00000
     36     -18.0137      1.00000
     37     -17.9835      1.00000
     38     -17.9779      1.00000
     39     -17.9625      1.00000
     40     -17.4229      1.00000
     41     -17.4191      1.00000
     42     -17.4173      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3693      1.00000
     46     -15.3590      1.00000
     47     -15.3223      1.00000
     48     -15.2951      1.00000
     49     -15.2868      1.00000
     50     -15.2727      1.00000
     51     -15.2474      1.00000
     52     -15.0582      1.00000
     53     -13.9266      1.00000
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     55     -13.9087      1.00000
     56     -13.8853      1.00000
     57     -13.8793      1.00000
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     59     -13.5021      1.00000
     60     -13.4088      1.00000
     61     -13.3554      1.00000
     62     -13.3122      1.00000
     63     -13.2983      1.00000
     64     -13.2459      1.00000
     65     -12.6619      1.00000
     66     -12.6144      1.00000
     67     -12.5927      1.00000
     68     -12.5774      1.00000
     69     -12.5633      1.00000
     70     -12.5400      1.00000
     71     -11.9041      1.00000
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     73     -11.7577      1.00000
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     77     -11.6503      1.00000
     78     -11.6032      1.00000
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     80     -11.5872      1.00000
     81     -11.5805      1.00000
     82     -11.4995      1.00000
     83     -11.4597      1.00000
     84     -11.3611      1.00000
     85     -11.3314      1.00000
     86     -11.2870      1.00000
     87     -11.2660      1.00000
     88     -11.1504      1.00000
     89     -10.8226      1.00000
     90     -10.7650      1.00000
     91     -10.7388      1.00000
     92     -10.7296      1.00000
     93     -10.7240      1.00000
     94     -10.7089      1.00000
     95     -10.3143      1.00000
     96     -10.1193      1.00000
     97     -10.1065      1.00000
     98     -10.0947      1.00000
     99     -10.0815      1.00000
    100     -10.0630      1.00000
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    232      -5.2560      1.00000
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    235      -4.9580      1.00000
    236      -4.8411      1.00000
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    238      -4.7173      1.00000
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    240      -4.4596      1.00000
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    242      -3.2547      0.00000
    243      -1.6647      0.00000
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    250      -0.1646      0.00000
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    254      -0.1098      0.00000
    255      -0.0975      0.00000
    256       0.0663      0.00000
    257       0.1059      0.00000
    258       0.1341      0.00000
    259       0.1630      0.00000
    260       0.1972      0.00000
    261       0.2372      0.00000
    262       0.2977      0.00000
    263       0.7522      0.00000
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    266       0.9714      0.00000
    267       1.1522      0.00000
    268       1.2280      0.00000
    269       1.2909      0.00000
    270       1.3180      0.00000
    271       1.4205      0.00000
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    276       1.7334      0.00000
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    278       1.7854      0.00000
    279       1.8256      0.00000
    280       1.8756      0.00000
    281       1.8855      0.00000
    282       1.9085      0.00000
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    284       1.9427      0.00000
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    286       1.9891      0.00000
    287       2.0108      0.00000
    288       2.0507      0.00000
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    290       2.0973      0.00000
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    295       2.3637      0.00000
    296       2.4049      0.00000
    297       2.4446      0.00000
    298       2.4827      0.00000
    299       2.5095      0.00000
    300       2.5880      0.00000

 k-point     4 :      -0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -26.0008      1.00000
      2     -25.9264      1.00000
      3     -25.9074      1.00000
      4     -25.8936      1.00000
      5     -25.8911      1.00000
      6     -25.8887      1.00000
      7     -25.8883      1.00000
      8     -25.8718      1.00000
      9     -25.8602      1.00000
     10     -25.8365      1.00000
     11     -25.8119      1.00000
     12     -25.8056      1.00000
     13     -23.8211      1.00000
     14     -23.7185      1.00000
     15     -23.7120      1.00000
     16     -23.7044      1.00000
     17     -23.7023      1.00000
     18     -23.6894      1.00000
     19     -23.6661      1.00000
     20     -23.6607      1.00000
     21     -23.6395      1.00000
     22     -23.6164      1.00000
     23     -23.6138      1.00000
     24     -23.5793      1.00000
     25     -22.2359      1.00000
     26     -22.1361      1.00000
     27     -21.8452      1.00000
     28     -20.3431      1.00000
     29     -20.3348      1.00000
     30     -20.3331      1.00000
     31     -20.3065      1.00000
     32     -20.3054      1.00000
     33     -20.2863      1.00000
     34     -18.0339      1.00000
     35     -18.0186      1.00000
     36     -18.0144      1.00000
     37     -17.9834      1.00000
     38     -17.9772      1.00000
     39     -17.9629      1.00000
     40     -17.4229      1.00000
     41     -17.4191      1.00000
     42     -17.4173      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3693      1.00000
     46     -15.3559      1.00000
     47     -15.3259      1.00000
     48     -15.3022      1.00000
     49     -15.2845      1.00000
     50     -15.2619      1.00000
     51     -15.2529      1.00000
     52     -15.0582      1.00000
     53     -13.9261      1.00000
     54     -13.9152      1.00000
     55     -13.9086      1.00000
     56     -13.8850      1.00000
     57     -13.8781      1.00000
     58     -13.8635      1.00000
     59     -13.4902      1.00000
     60     -13.4260      1.00000
     61     -13.3555      1.00000
     62     -13.3146      1.00000
     63     -13.2946      1.00000
     64     -13.2412      1.00000
     65     -12.6611      1.00000
     66     -12.6129      1.00000
     67     -12.5967      1.00000
     68     -12.5818      1.00000
     69     -12.5522      1.00000
     70     -12.5452      1.00000
     71     -11.8996      1.00000
     72     -11.7894      1.00000
     73     -11.7552      1.00000
     74     -11.7164      1.00000
     75     -11.6918      1.00000
     76     -11.6739      1.00000
     77     -11.6547      1.00000
     78     -11.6027      1.00000
     79     -11.5946      1.00000
     80     -11.5877      1.00000
     81     -11.5826      1.00000
     82     -11.4853      1.00000
     83     -11.4569      1.00000
     84     -11.3652      1.00000
     85     -11.3497      1.00000
     86     -11.2842      1.00000
     87     -11.2585      1.00000
     88     -11.1500      1.00000
     89     -10.8228      1.00000
     90     -10.7640      1.00000
     91     -10.7380      1.00000
     92     -10.7330      1.00000
     93     -10.7183      1.00000
     94     -10.7121      1.00000
     95     -10.3146      1.00000
     96     -10.1234      1.00000
     97     -10.1030      1.00000
     98     -10.0918      1.00000
     99     -10.0886      1.00000
    100     -10.0581      1.00000
    101     -10.0476      1.00000
    102     -10.0239      1.00000
    103     -10.0170      1.00000
    104      -9.9921      1.00000
    105      -9.9263      1.00000
    106      -9.8772      1.00000
    107      -9.8726      1.00000
    108      -9.8575      1.00000
    109      -9.8376      1.00000
    110      -9.8246      1.00000
    111      -9.7927      1.00000
    112      -9.7833      1.00000
    113      -9.7763      1.00000
    114      -9.7610      1.00000
    115      -9.7461      1.00000
    116      -9.7340      1.00000
    117      -9.7281      1.00000
    118      -9.7224      1.00000
    119      -9.6950      1.00000
    120      -9.6934      1.00000
    121      -9.6848      1.00000
    122      -9.6361      1.00000
    123      -9.6302      1.00000
    124      -9.5733      1.00000
    125      -9.3714      1.00000
    126      -9.3551      1.00000
    127      -9.2693      1.00000
    128      -9.2382      1.00000
    129      -9.1956      1.00000
    130      -9.1642      1.00000
    131      -9.1445      1.00000
    132      -9.1424      1.00000
    133      -9.1250      1.00000
    134      -9.1124      1.00000
    135      -9.1059      1.00000
    136      -9.0971      1.00000
    137      -9.0916      1.00000
    138      -9.0719      1.00000
    139      -9.0636      1.00000
    140      -9.0293      1.00000
    141      -8.9989      1.00000
    142      -8.9830      1.00000
    143      -8.9559      1.00000
    144      -8.8133      1.00000
    145      -8.7763      1.00000
    146      -8.7624      1.00000
    147      -8.7150      1.00000
    148      -8.6618      1.00000
    149      -8.6282      1.00000
    150      -8.6187      1.00000
    151      -8.5309      1.00000
    152      -8.4682      1.00000
    153      -8.4632      1.00000
    154      -8.3971      1.00000
    155      -8.3722      1.00000
    156      -8.3306      1.00000
    157      -8.3021      1.00000
    158      -8.2596      1.00000
    159      -8.2461      1.00000
    160      -8.2207      1.00000
    161      -8.2095      1.00000
    162      -8.1591      1.00000
    163      -8.0981      1.00000
    164      -7.9421      1.00000
    165      -7.9045      1.00000
    166      -7.8839      1.00000
    167      -7.8469      1.00000
    168      -7.8186      1.00000
    169      -7.7821      1.00000
    170      -7.7753      1.00000
    171      -7.7525      1.00000
    172      -7.6882      1.00000
    173      -7.6667      1.00000
    174      -7.5052      1.00000
    175      -7.4971      1.00000
    176      -7.4858      1.00000
    177      -7.4274      1.00000
    178      -7.2773      1.00000
    179      -7.2297      1.00000
    180      -7.1326      1.00000
    181      -7.1178      1.00000
    182      -7.1033      1.00000
    183      -7.0265      1.00000
    184      -7.0183      1.00000
    185      -7.0067      1.00000
    186      -6.9994      1.00000
    187      -6.9310      1.00000
    188      -6.9263      1.00000
    189      -6.6498      1.00000
    190      -6.6414      1.00000
    191      -6.6241      1.00000
    192      -6.5928      1.00000
    193      -6.5516      1.00000
    194      -6.5385      1.00000
    195      -6.5321      1.00000
    196      -6.3284      1.00000
    197      -6.2967      1.00000
    198      -6.2777      1.00000
    199      -6.2534      1.00000
    200      -6.2476      1.00000
    201      -6.1391      1.00000
    202      -6.1169      1.00000
    203      -6.0208      1.00000
    204      -5.9610      1.00000
    205      -5.9182      1.00000
    206      -5.9110      1.00000
    207      -5.8468      1.00000
    208      -5.8055      1.00000
    209      -5.7539      1.00000
    210      -5.7446      1.00000
    211      -5.7245      1.00000
    212      -5.7128      1.00000
    213      -5.6849      1.00000
    214      -5.6553      1.00000
    215      -5.6450      1.00000
    216      -5.6136      1.00000
    217      -5.5712      1.00000
    218      -5.5335      1.00000
    219      -5.4743      1.00000
    220      -5.4485      1.00000
    221      -5.4436      1.00000
    222      -5.3803      1.00000
    223      -5.3670      1.00000
    224      -5.3584      1.00000
    225      -5.3559      1.00000
    226      -5.3392      1.00000
    227      -5.3109      1.00000
    228      -5.2969      1.00000
    229      -5.2796      1.00000
    230      -5.2760      1.00000
    231      -5.2749      1.00000
    232      -5.2555      1.00000
    233      -5.1979      1.00000
    234      -5.0957      1.00000
    235      -4.9585      1.00000
    236      -4.8410      1.00000
    237      -4.8347      1.00000
    238      -4.7173      1.00000
    239      -4.7148      1.00000
    240      -4.4597      1.00000
    241      -4.3507      1.00000
    242      -3.2548      0.00000
    243      -1.6612      0.00000
    244      -1.6333      0.00000
    245      -1.6146      0.00000
    246      -1.5994      0.00000
    247      -1.5569      0.00000
    248      -1.5352      0.00000
    249      -0.2411      0.00000
    250      -0.1641      0.00000
    251      -0.1486      0.00000
    252      -0.1413      0.00000
    253      -0.1167      0.00000
    254      -0.1095      0.00000
    255      -0.0977      0.00000
    256       0.0682      0.00000
    257       0.1182      0.00000
    258       0.1317      0.00000
    259       0.1647      0.00000
    260       0.1789      0.00000
    261       0.2338      0.00000
    262       0.3031      0.00000
    263       0.7559      0.00000
    264       0.8592      0.00000
    265       0.9128      0.00000
    266       0.9740      0.00000
    267       1.1469      0.00000
    268       1.2296      0.00000
    269       1.2936      0.00000
    270       1.3211      0.00000
    271       1.4169      0.00000
    272       1.5091      0.00000
    273       1.5801      0.00000
    274       1.6126      0.00000
    275       1.6328      0.00000
    276       1.7413      0.00000
    277       1.7743      0.00000
    278       1.7991      0.00000
    279       1.8195      0.00000
    280       1.8683      0.00000
    281       1.8902      0.00000
    282       1.9134      0.00000
    283       1.9213      0.00000
    284       1.9471      0.00000
    285       1.9600      0.00000
    286       1.9812      0.00000
    287       2.0057      0.00000
    288       2.0439      0.00000
    289       2.0811      0.00000
    290       2.0970      0.00000
    291       2.1309      0.00000
    292       2.2099      0.00000
    293       2.2329      0.00000
    294       2.2899      0.00000
    295       2.3699      0.00000
    296       2.3768      0.00000
    297       2.4390      0.00000
    298       2.4692      0.00000
    299       2.5447      0.00000
    300       2.6195      0.00000

 spin component 2

 k-point     1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -25.9824      1.00000
      2     -25.9075      1.00000
      3     -25.8918      1.00000
      4     -25.8779      1.00000
      5     -25.8763      1.00000
      6     -25.8667      1.00000
      7     -25.8570      1.00000
      8     -25.8398      1.00000
      9     -25.8366      1.00000
     10     -25.8327      1.00000
     11     -25.8085      1.00000
     12     -25.8018      1.00000
     13     -23.7972      1.00000
     14     -23.6970      1.00000
     15     -23.6858      1.00000
     16     -23.6807      1.00000
     17     -23.6721      1.00000
     18     -23.6592      1.00000
     19     -23.6408      1.00000
     20     -23.6194      1.00000
     21     -23.6139      1.00000
     22     -23.6110      1.00000
     23     -23.6077      1.00000
     24     -23.5748      1.00000
     25     -21.9501      1.00000
     26     -21.7099      1.00000
     27     -21.0151      1.00000
     28     -20.3403      1.00000
     29     -20.3321      1.00000
     30     -20.3303      1.00000
     31     -20.3062      1.00000
     32     -20.3050      1.00000
     33     -20.2859      1.00000
     34     -18.0288      1.00000
     35     -18.0106      1.00000
     36     -18.0070      1.00000
     37     -17.9829      1.00000
     38     -17.9762      1.00000
     39     -17.9609      1.00000
     40     -17.4223      1.00000
     41     -17.4189      1.00000
     42     -17.4171      1.00000
     43     -17.3903      1.00000
     44     -17.3896      1.00000
     45     -17.3692      1.00000
     46     -15.3622      1.00000
     47     -15.3067      1.00000
     48     -15.2894      1.00000
     49     -15.2771      1.00000
     50     -15.2491      1.00000
     51     -15.2431      1.00000
     52     -15.0569      1.00000
     53     -13.9219      1.00000
     54     -13.9083      1.00000
     55     -13.9049      1.00000
     56     -13.8831      1.00000
     57     -13.8788      1.00000
     58     -13.8611      1.00000
     59     -13.5186      1.00000
     60     -13.3890      1.00000
     61     -13.3365      1.00000
     62     -13.3065      1.00000
     63     -13.2327      1.00000
     64     -13.2205      1.00000
     65     -12.6661      1.00000
     66     -12.6047      1.00000
     67     -12.5869      1.00000
     68     -12.5740      1.00000
     69     -12.5413      1.00000
     70     -12.5357      1.00000
     71     -11.8450      1.00000
     72     -11.7635      1.00000
     73     -11.7383      1.00000
     74     -11.7135      1.00000
     75     -11.6943      1.00000
     76     -11.6706      1.00000
     77     -11.6375      1.00000
     78     -11.5899      1.00000
     79     -11.5805      1.00000
     80     -11.5554      1.00000
     81     -11.5028      1.00000
     82     -11.4252      1.00000
     83     -11.4117      1.00000
     84     -11.3751      1.00000
     85     -11.3083      1.00000
     86     -11.2607      1.00000
     87     -11.0963      1.00000
     88     -11.0683      1.00000
     89     -10.7964      1.00000
     90     -10.7380      1.00000
     91     -10.7274      1.00000
     92     -10.7174      1.00000
     93     -10.7050      1.00000
     94     -10.6701      1.00000
     95     -10.1748      1.00000
     96     -10.1181      1.00000
     97     -10.0779      1.00000
     98     -10.0623      1.00000
     99     -10.0534      1.00000
    100     -10.0269      1.00000
    101     -10.0201      1.00000
    102     -10.0044      1.00000
    103      -9.9687      1.00000
    104      -9.9362      1.00000
    105      -9.8957      1.00000
    106      -9.8645      1.00000
    107      -9.8610      1.00000
    108      -9.8394      1.00000
    109      -9.8294      1.00000
    110      -9.8019      1.00000
    111      -9.7845      1.00000
    112      -9.7642      1.00000
    113      -9.7431      1.00000
    114      -9.7388      1.00000
    115      -9.7209      1.00000
    116      -9.7156      1.00000
    117      -9.7113      1.00000
    118      -9.6997      1.00000
    119      -9.6919      1.00000
    120      -9.6850      1.00000
    121      -9.6494      1.00000
    122      -9.5865      1.00000
    123      -9.5689      1.00000
    124      -9.4569      1.00000
    125      -9.3494      1.00000
    126      -9.3334      1.00000
    127      -9.2486      1.00000
    128      -9.2030      1.00000
    129      -9.1700      1.00000
    130      -9.1413      1.00000
    131      -9.1375      1.00000
    132      -9.1318      1.00000
    133      -9.1159      1.00000
    134      -9.1091      1.00000
    135      -9.1007      1.00000
    136      -9.0990      1.00000
    137      -9.0864      1.00000
    138      -9.0656      1.00000
    139      -9.0209      1.00000
    140      -9.0114      1.00000
    141      -8.9724      1.00000
    142      -8.9516      1.00000
    143      -8.7840      1.00000
    144      -8.7610      1.00000
    145      -8.7549      1.00000
    146      -8.6907      1.00000
    147      -8.6534      1.00000
    148      -8.6155      1.00000
    149      -8.4719      1.00000
    150      -8.4562      1.00000
    151      -8.4462      1.00000
    152      -8.4043      1.00000
    153      -8.3941      1.00000
    154      -8.3205      1.00000
    155      -8.3079      1.00000
    156      -8.2495      1.00000
    157      -8.2358      1.00000
    158      -8.2143      1.00000
    159      -8.2018      1.00000
    160      -8.1832      1.00000
    161      -8.0909      1.00000
    162      -7.9459      1.00000
    163      -7.8928      1.00000
    164      -7.8576      1.00000
    165      -7.8440      1.00000
    166      -7.8017      1.00000
    167      -7.7876      1.00000
    168      -7.6467      1.00000
    169      -7.6348      1.00000
    170      -7.6221      1.00000
    171      -7.5447      1.00000
    172      -7.5118      1.00000
    173      -7.4920      1.00000
    174      -7.4768      1.00000
    175      -7.4666      1.00000
    176      -7.2569      1.00000
    177      -7.0942      1.00000
    178      -7.0826      1.00000
    179      -7.0615      1.00000
    180      -7.0590      1.00000
    181      -7.0365      1.00000
    182      -7.0205      1.00000
    183      -6.9941      1.00000
    184      -6.9481      1.00000
    185      -6.8271      1.00000
    186      -6.7720      1.00000
    187      -6.5975      1.00000
    188      -6.5961      1.00000
    189      -6.5471      1.00000
    190      -6.4745      1.00000
    191      -6.4644      1.00000
    192      -6.4298      1.00000
    193      -6.2711      1.00000
    194      -6.2645      1.00000
    195      -6.2408      1.00000
    196      -6.1325      1.00000
    197      -6.1172      1.00000
    198      -6.1077      1.00000
    199      -6.0856      1.00000
    200      -6.0713      1.00000
    201      -6.0503      1.00000
    202      -6.0406      1.00000
    203      -5.8616      1.00000
    204      -5.8486      1.00000
    205      -5.8119      1.00000
    206      -5.7905      1.00000
    207      -5.7613      1.00000
    208      -5.7458      1.00000
    209      -5.7112      1.00000
    210      -5.6758      1.00000
    211      -5.6559      1.00000
    212      -5.6203      1.00000
    213      -5.6135      1.00000
    214      -5.5922      1.00000
    215      -5.5540      1.00000
    216      -5.5097      1.00000
    217      -5.5019      1.00000
    218      -5.4811      1.00000
    219      -5.4286      1.00000
    220      -5.4119      1.00000
    221      -5.3687      1.00000
    222      -5.3591      1.00000
    223      -5.3559      1.00000
    224      -5.3402      1.00000
    225      -5.3122      1.00000
    226      -5.3076      1.00000
    227      -5.2916      1.00000
    228      -5.2779      1.00000
    229      -5.2762      1.00000
    230      -5.2716      1.00000
    231      -5.2555      1.00000
    232      -5.1277      1.00000
    233      -4.1774      1.00000
    234      -3.4512      1.00000
    235      -3.4392      1.00000
    236      -3.3526      0.00000
    237      -3.3491      0.00000
    238      -2.7497      0.00000
    239      -2.3466      0.00000
    240      -2.2756      0.00000
    241      -2.2248      0.00000
    242      -1.9937      0.00000
    243      -1.6396      0.00000
    244      -1.6049      0.00000
    245      -1.5751      0.00000
    246      -1.5688      0.00000
    247      -1.5028      0.00000
    248      -1.4203      0.00000
    249      -0.1854      0.00000
    250      -0.1633      0.00000
    251      -0.1485      0.00000
    252      -0.1420      0.00000
    253      -0.1166      0.00000
    254      -0.1117      0.00000
    255      -0.0948      0.00000
    256       0.0846      0.00000
    257       0.1031      0.00000
    258       0.1190      0.00000
    259       0.2120      0.00000
    260       0.2296      0.00000
    261       0.3002      0.00000
    262       0.3297      0.00000
    263       0.7933      0.00000
    264       0.9163      0.00000
    265       0.9601      0.00000
    266       1.0530      0.00000
    267       1.1003      0.00000
    268       1.1509      0.00000
    269       1.2333      0.00000
    270       1.3837      0.00000
    271       1.4246      0.00000
    272       1.4319      0.00000
    273       1.5792      0.00000
    274       1.6058      0.00000
    275       1.6453      0.00000
    276       1.6833      0.00000
    277       1.7231      0.00000
    278       1.7545      0.00000
    279       1.7959      0.00000
    280       1.8466      0.00000
    281       1.8816      0.00000
    282       1.8935      0.00000
    283       1.9407      0.00000
    284       1.9800      0.00000
    285       2.0348      0.00000
    286       2.0443      0.00000
    287       2.0549      0.00000
    288       2.1042      0.00000
    289       2.1211      0.00000
    290       2.2145      0.00000
    291       2.2319      0.00000
    292       2.2492      0.00000
    293       2.3442      0.00000
    294       2.3899      0.00000
    295       2.4215      0.00000
    296       2.4573      0.00000
    297       2.5280      0.00000
    298       2.5516      0.00000
    299       2.6460      0.00000
    300       2.6981      0.00000

 k-point     2 :      -0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -25.9824      1.00000
      2     -25.9075      1.00000
      3     -25.8918      1.00000
      4     -25.8778      1.00000
      5     -25.8764      1.00000
      6     -25.8667      1.00000
      7     -25.8570      1.00000
      8     -25.8398      1.00000
      9     -25.8366      1.00000
     10     -25.8327      1.00000
     11     -25.8085      1.00000
     12     -25.8018      1.00000
     13     -23.7972      1.00000
     14     -23.6970      1.00000
     15     -23.6858      1.00000
     16     -23.6808      1.00000
     17     -23.6721      1.00000
     18     -23.6592      1.00000
     19     -23.6408      1.00000
     20     -23.6194      1.00000
     21     -23.6139      1.00000
     22     -23.6110      1.00000
     23     -23.6077      1.00000
     24     -23.5749      1.00000
     25     -21.9501      1.00000
     26     -21.7099      1.00000
     27     -21.0151      1.00000
     28     -20.3403      1.00000
     29     -20.3321      1.00000
     30     -20.3303      1.00000
     31     -20.3062      1.00000
     32     -20.3050      1.00000
     33     -20.2859      1.00000
     34     -18.0281      1.00000
     35     -18.0098      1.00000
     36     -18.0065      1.00000
     37     -17.9841      1.00000
     38     -17.9768      1.00000
     39     -17.9611      1.00000
     40     -17.4223      1.00000
     41     -17.4189      1.00000
     42     -17.4171      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3692      1.00000
     46     -15.3451      1.00000
     47     -15.3081      1.00000
     48     -15.2873      1.00000
     49     -15.2794      1.00000
     50     -15.2659      1.00000
     51     -15.2438      1.00000
     52     -15.0569      1.00000
     53     -13.9228      1.00000
     54     -13.9074      1.00000
     55     -13.9038      1.00000
     56     -13.8853      1.00000
     57     -13.8803      1.00000
     58     -13.8612      1.00000
     59     -13.4687      1.00000
     60     -13.4094      1.00000
     61     -13.3197      1.00000
     62     -13.3057      1.00000
     63     -13.2767      1.00000
     64     -13.2307      1.00000
     65     -12.6442      1.00000
     66     -12.6031      1.00000
     67     -12.5830      1.00000
     68     -12.5745      1.00000
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     70     -12.5365      1.00000
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     72     -11.7747      1.00000
     73     -11.7585      1.00000
     74     -11.7048      1.00000
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     78     -11.5899      1.00000
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     80     -11.5654      1.00000
     81     -11.5121      1.00000
     82     -11.4686      1.00000
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     84     -11.3404      1.00000
     85     -11.2897      1.00000
     86     -11.2618      1.00000
     87     -11.1016      1.00000
     88     -11.0719      1.00000
     89     -10.7965      1.00000
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     99     -10.0516      1.00000
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    236      -3.3526      0.00000
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    288       2.0670      0.00000
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    290       2.1271      0.00000
    291       2.1490      0.00000
    292       2.1758      0.00000
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    294       2.2437      0.00000
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    297       2.4529      0.00000
    298       2.4875      0.00000
    299       2.5344      0.00000
    300       2.6139      0.00000

 k-point     3 :       0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -25.9824      1.00000
      2     -25.9075      1.00000
      3     -25.8918      1.00000
      4     -25.8778      1.00000
      5     -25.8764      1.00000
      6     -25.8667      1.00000
      7     -25.8570      1.00000
      8     -25.8398      1.00000
      9     -25.8366      1.00000
     10     -25.8327      1.00000
     11     -25.8085      1.00000
     12     -25.8018      1.00000
     13     -23.7972      1.00000
     14     -23.6970      1.00000
     15     -23.6858      1.00000
     16     -23.6808      1.00000
     17     -23.6721      1.00000
     18     -23.6592      1.00000
     19     -23.6408      1.00000
     20     -23.6194      1.00000
     21     -23.6139      1.00000
     22     -23.6110      1.00000
     23     -23.6077      1.00000
     24     -23.5748      1.00000
     25     -21.9501      1.00000
     26     -21.7099      1.00000
     27     -21.0151      1.00000
     28     -20.3403      1.00000
     29     -20.3321      1.00000
     30     -20.3303      1.00000
     31     -20.3062      1.00000
     32     -20.3051      1.00000
     33     -20.2859      1.00000
     34     -18.0277      1.00000
     35     -18.0110      1.00000
     36     -18.0065      1.00000
     37     -17.9826      1.00000
     38     -17.9772      1.00000
     39     -17.9615      1.00000
     40     -17.4223      1.00000
     41     -17.4189      1.00000
     42     -17.4171      1.00000
     43     -17.3904      1.00000
     44     -17.3896      1.00000
     45     -17.3692      1.00000
     46     -15.3459      1.00000
     47     -15.3084      1.00000
     48     -15.2871      1.00000
     49     -15.2750      1.00000
     50     -15.2700      1.00000
     51     -15.2431      1.00000
     52     -15.0569      1.00000
     53     -13.9216      1.00000
     54     -13.9092      1.00000
     55     -13.9044      1.00000
     56     -13.8849      1.00000
     57     -13.8790      1.00000
     58     -13.8621      1.00000
     59     -13.4742      1.00000
     60     -13.3916      1.00000
     61     -13.3408      1.00000
     62     -13.3030      1.00000
     63     -13.2737      1.00000
     64     -13.2273      1.00000
     65     -12.6436      1.00000
     66     -12.6032      1.00000
     67     -12.5865      1.00000
     68     -12.5691      1.00000
     69     -12.5598      1.00000
     70     -12.5354      1.00000
     71     -11.8576      1.00000
     72     -11.7630      1.00000
     73     -11.7463      1.00000
     74     -11.7092      1.00000
     75     -11.6690      1.00000
     76     -11.6466      1.00000
     77     -11.6352      1.00000
     78     -11.5913      1.00000
     79     -11.5793      1.00000
     80     -11.5691      1.00000
     81     -11.5438      1.00000
     82     -11.4471      1.00000
     83     -11.4102      1.00000
     84     -11.3382      1.00000
     85     -11.2783      1.00000
     86     -11.2400      1.00000
     87     -11.1545      1.00000
     88     -11.0655      1.00000
     89     -10.7774      1.00000
     90     -10.7375      1.00000
     91     -10.7280      1.00000
     92     -10.7186      1.00000
     93     -10.7090      1.00000
     94     -10.6767      1.00000
     95     -10.1744      1.00000
     96     -10.1156      1.00000
     97     -10.0826      1.00000
     98     -10.0613      1.00000
     99     -10.0545      1.00000
    100     -10.0322      1.00000
    101     -10.0210      1.00000
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    104      -9.9354      1.00000
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    106      -9.8629      1.00000
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    125      -9.3458      1.00000
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    150      -8.4535      1.00000
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    192      -6.4288      1.00000
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    198      -6.1097      1.00000
    199      -6.0856      1.00000
    200      -6.0654      1.00000
    201      -6.0556      1.00000
    202      -6.0412      1.00000
    203      -5.8578      1.00000
    204      -5.8472      1.00000
    205      -5.8032      1.00000
    206      -5.7805      1.00000
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    214      -5.5882      1.00000
    215      -5.5663      1.00000
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    218      -5.4828      1.00000
    219      -5.4299      1.00000
    220      -5.4127      1.00000
    221      -5.3665      1.00000
    222      -5.3562      1.00000
    223      -5.3503      1.00000
    224      -5.3391      1.00000
    225      -5.3133      1.00000
    226      -5.3061      1.00000
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    228      -5.2787      1.00000
    229      -5.2749      1.00000
    230      -5.2704      1.00000
    231      -5.2548      1.00000
    232      -5.1281      1.00000
    233      -4.1774      1.00000
    234      -3.4503      1.00000
    235      -3.4390      1.00000
    236      -3.3533      0.00000
    237      -3.3493      0.00000
    238      -2.7497      0.00000
    239      -2.3441      0.00000
    240      -2.2759      0.00000
    241      -2.2274      0.00000
    242      -1.9937      0.00000
    243      -1.6270      0.00000
    244      -1.6096      0.00000
    245      -1.5854      0.00000
    246      -1.5490      0.00000
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    248      -1.4249      0.00000
    249      -0.1794      0.00000
    250      -0.1630      0.00000
    251      -0.1475      0.00000
    252      -0.1418      0.00000
    253      -0.1177      0.00000
    254      -0.1098      0.00000
    255      -0.0975      0.00000
    256       0.0941      0.00000
    257       0.1356      0.00000
    258       0.1498      0.00000
    259       0.2050      0.00000
    260       0.2317      0.00000
    261       0.2570      0.00000
    262       0.3065      0.00000
    263       0.7606      0.00000
    264       0.8723      0.00000
    265       0.9277      0.00000
    266       0.9823      0.00000
    267       1.1716      0.00000
    268       1.2485      0.00000
    269       1.2993      0.00000
    270       1.3253      0.00000
    271       1.4376      0.00000
    272       1.5296      0.00000
    273       1.5677      0.00000
    274       1.6235      0.00000
    275       1.6433      0.00000
    276       1.7433      0.00000
    277       1.7757      0.00000
    278       1.7963      0.00000
    279       1.8363      0.00000
    280       1.8900      0.00000
    281       1.8972      0.00000
    282       1.9180      0.00000
    283       1.9351      0.00000
    284       1.9532      0.00000
    285       1.9835      0.00000
    286       2.0002      0.00000
    287       2.0173      0.00000
    288       2.0575      0.00000
    289       2.0967      0.00000
    290       2.1052      0.00000
    291       2.1564      0.00000
    292       2.2139      0.00000
    293       2.2251      0.00000
    294       2.3049      0.00000
    295       2.3720      0.00000
    296       2.4016      0.00000
    297       2.4511      0.00000
    298       2.5072      0.00000
    299       2.5406      0.00000
    300       2.6051      0.00000

 k-point     4 :      -0.2500   -0.2500    0.2500
  band No.  band energies     occupation 
      1     -25.9824      1.00000
      2     -25.9075      1.00000
      3     -25.8918      1.00000
      4     -25.8779      1.00000
      5     -25.8763      1.00000
      6     -25.8667      1.00000
      7     -25.8570      1.00000
      8     -25.8398      1.00000
      9     -25.8366      1.00000
     10     -25.8327      1.00000
     11     -25.8085      1.00000
     12     -25.8018      1.00000
     13     -23.7972      1.00000
     14     -23.6970      1.00000
     15     -23.6858      1.00000
     16     -23.6807      1.00000
     17     -23.6721      1.00000
     18     -23.6592      1.00000
     19     -23.6408      1.00000
     20     -23.6194      1.00000
     21     -23.6139      1.00000
     22     -23.6110      1.00000
     23     -23.6077      1.00000
     24     -23.5748      1.00000
     25     -21.9501      1.00000
     26     -21.7099      1.00000
     27     -21.0151      1.00000
     28     -20.3403      1.00000
     29     -20.3321      1.00000
     30     -20.3303      1.00000
     31     -20.3062      1.00000
     32     -20.3050      1.00000
     33     -20.2859      1.00000
     34     -18.0274      1.00000
     35     -18.0111      1.00000
     36     -18.0073      1.00000
     37     -17.9825      1.00000
     38     -17.9763      1.00000
     39     -17.9620      1.00000
     40     -17.4223      1.00000
     41     -17.4189      1.00000
     42     -17.4171      1.00000
     43     -17.3903      1.00000
     44     -17.3896      1.00000
     45     -17.3692      1.00000
     46     -15.3418      1.00000
     47     -15.3154      1.00000
     48     -15.2905      1.00000
     49     -15.2761      1.00000
     50     -15.2570      1.00000
     51     -15.2486      1.00000
     52     -15.0569      1.00000
     53     -13.9210      1.00000
     54     -13.9105      1.00000
     55     -13.9043      1.00000
     56     -13.8845      1.00000
     57     -13.8777      1.00000
     58     -13.8632      1.00000
     59     -13.4600      1.00000
     60     -13.4121      1.00000
     61     -13.3416      1.00000
     62     -13.2934      1.00000
     63     -13.2811      1.00000
     64     -13.2221      1.00000
     65     -12.6423      1.00000
     66     -12.6055      1.00000
     67     -12.5873      1.00000
     68     -12.5733      1.00000
     69     -12.5483      1.00000
     70     -12.5411      1.00000
     71     -11.8521      1.00000
     72     -11.7715      1.00000
     73     -11.7469      1.00000
     74     -11.7051      1.00000
     75     -11.6695      1.00000
     76     -11.6532      1.00000
     77     -11.6315      1.00000
     78     -11.5932      1.00000
     79     -11.5786      1.00000
     80     -11.5686      1.00000
     81     -11.5443      1.00000
     82     -11.4347      1.00000
     83     -11.4139      1.00000
     84     -11.3376      1.00000
     85     -11.2786      1.00000
     86     -11.2499      1.00000
     87     -11.1497      1.00000
     88     -11.0654      1.00000
     89     -10.7779      1.00000
     90     -10.7368      1.00000
     91     -10.7271      1.00000
     92     -10.7171      1.00000
     93     -10.7108      1.00000
     94     -10.6769      1.00000
     95     -10.1750      1.00000
     96     -10.1167      1.00000
     97     -10.0844      1.00000
     98     -10.0627      1.00000
     99     -10.0489      1.00000
    100     -10.0261      1.00000
    101     -10.0174      1.00000
    102     -10.0098      1.00000
    103      -9.9760      1.00000
    104      -9.9358      1.00000
    105      -9.8988      1.00000
    106      -9.8612      1.00000
    107      -9.8528      1.00000
    108      -9.8278      1.00000
    109      -9.8238      1.00000
    110      -9.8091      1.00000
    111      -9.7800      1.00000
    112      -9.7716      1.00000
    113      -9.7454      1.00000
    114      -9.7338      1.00000
    115      -9.7211      1.00000
    116      -9.7192      1.00000
    117      -9.7136      1.00000
    118      -9.7007      1.00000
    119      -9.6890      1.00000
    120      -9.6842      1.00000
    121      -9.6541      1.00000
    122      -9.5944      1.00000
    123      -9.5390      1.00000
    124      -9.4772      1.00000
    125      -9.3567      1.00000
    126      -9.3394      1.00000
    127      -9.2586      1.00000
    128      -9.2048      1.00000
    129      -9.1736      1.00000
    130      -9.1421      1.00000
    131      -9.1365      1.00000
    132      -9.1307      1.00000
    133      -9.1168      1.00000
    134      -9.1055      1.00000
    135      -9.0981      1.00000
    136      -9.0896      1.00000
    137      -9.0747      1.00000
    138      -9.0652      1.00000
    139      -9.0268      1.00000
    140      -9.0016      1.00000
    141      -8.9694      1.00000
    142      -8.9504      1.00000
    143      -8.7738      1.00000
    144      -8.7603      1.00000
    145      -8.7519      1.00000
    146      -8.7020      1.00000
    147      -8.6548      1.00000
    148      -8.6189      1.00000
    149      -8.4722      1.00000
    150      -8.4537      1.00000
    151      -8.4369      1.00000
    152      -8.4092      1.00000
    153      -8.4014      1.00000
    154      -8.3271      1.00000
    155      -8.3178      1.00000
    156      -8.2598      1.00000
    157      -8.2301      1.00000
    158      -8.2120      1.00000
    159      -8.2033      1.00000
    160      -8.1867      1.00000
    161      -8.0932      1.00000
    162      -7.9369      1.00000
    163      -7.8786      1.00000
    164      -7.8602      1.00000
    165      -7.8169      1.00000
    166      -7.8096      1.00000
    167      -7.7810      1.00000
    168      -7.6697      1.00000
    169      -7.6416      1.00000
    170      -7.6180      1.00000
    171      -7.5572      1.00000
    172      -7.5101      1.00000
    173      -7.4916      1.00000
    174      -7.4759      1.00000
    175      -7.4599      1.00000
    176      -7.2565      1.00000
    177      -7.0943      1.00000
    178      -7.0792      1.00000
    179      -7.0641      1.00000
    180      -7.0581      1.00000
    181      -7.0382      1.00000
    182      -7.0167      1.00000
    183      -6.9964      1.00000
    184      -6.9475      1.00000
    185      -6.8277      1.00000
    186      -6.7713      1.00000
    187      -6.5985      1.00000
    188      -6.5965      1.00000
    189      -6.5453      1.00000
    190      -6.4752      1.00000
    191      -6.4646      1.00000
    192      -6.4288      1.00000
    193      -6.2706      1.00000
    194      -6.2655      1.00000
    195      -6.2412      1.00000
    196      -6.1311      1.00000
    197      -6.1183      1.00000
    198      -6.1088      1.00000
    199      -6.0831      1.00000
    200      -6.0663      1.00000
    201      -6.0550      1.00000
    202      -6.0431      1.00000
    203      -5.8586      1.00000
    204      -5.8388      1.00000
    205      -5.7961      1.00000
    206      -5.7863      1.00000
    207      -5.7775      1.00000
    208      -5.7654      1.00000
    209      -5.7105      1.00000
    210      -5.6732      1.00000
    211      -5.6393      1.00000
    212      -5.6259      1.00000
    213      -5.6181      1.00000
    214      -5.5963      1.00000
    215      -5.5538      1.00000
    216      -5.5278      1.00000
    217      -5.4988      1.00000
    218      -5.4814      1.00000
    219      -5.4250      1.00000
    220      -5.4150      1.00000
    221      -5.3679      1.00000
    222      -5.3568      1.00000
    223      -5.3545      1.00000
    224      -5.3378      1.00000
    225      -5.3127      1.00000
    226      -5.3059      1.00000
    227      -5.2904      1.00000
    228      -5.2770      1.00000
    229      -5.2758      1.00000
    230      -5.2714      1.00000
    231      -5.2539      1.00000
    232      -5.1275      1.00000
    233      -4.1776      1.00000
    234      -3.4502      1.00000
    235      -3.4390      1.00000
    236      -3.3533      0.00000
    237      -3.3494      0.00000
    238      -2.7497      0.00000
    239      -2.3446      0.00000
    240      -2.2761      0.00000
    241      -2.2270      0.00000
    242      -1.9936      0.00000
    243      -1.6283      0.00000
    244      -1.6025      0.00000
    245      -1.5835      0.00000
    246      -1.5667      0.00000
    247      -1.5097      0.00000
    248      -1.4251      0.00000
    249      -0.1786      0.00000
    250      -0.1624      0.00000
    251      -0.1487      0.00000
    252      -0.1423      0.00000
    253      -0.1167      0.00000
    254      -0.1096      0.00000
    255      -0.0978      0.00000
    256       0.0954      0.00000
    257       0.1497      0.00000
    258       0.1509      0.00000
    259       0.1922      0.00000
    260       0.2146      0.00000
    261       0.2630      0.00000
    262       0.3115      0.00000
    263       0.7639      0.00000
    264       0.8678      0.00000
    265       0.9264      0.00000
    266       0.9864      0.00000
    267       1.1644      0.00000
    268       1.2517      0.00000
    269       1.3036      0.00000
    270       1.3271      0.00000
    271       1.4347      0.00000
    272       1.5163      0.00000
    273       1.5860      0.00000
    274       1.6190      0.00000
    275       1.6396      0.00000
    276       1.7522      0.00000
    277       1.7865      0.00000
    278       1.8102      0.00000
    279       1.8277      0.00000
    280       1.8801      0.00000
    281       1.9021      0.00000
    282       1.9238      0.00000
    283       1.9317      0.00000
    284       1.9543      0.00000
    285       1.9699      0.00000
    286       1.9922      0.00000
    287       2.0121      0.00000
    288       2.0493      0.00000
    289       2.0850      0.00000
    290       2.1052      0.00000
    291       2.1579      0.00000
    292       2.2165      0.00000
    293       2.2396      0.00000
    294       2.3208      0.00000
    295       2.3802      0.00000
    296       2.4101      0.00000
    297       2.4375      0.00000
    298       2.4890      0.00000
    299       2.5567      0.00000
    300       2.6554      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
-14.123   0.006   0.015   0.004   0.001 -14.248   0.006   0.015
  0.006 -14.124   0.005  -0.015  -0.006   0.006 -14.249   0.005
  0.015   0.005 -14.133   0.002   0.005   0.015   0.005 -14.258
  0.004  -0.015   0.002 -14.130   0.003   0.004  -0.014   0.002
  0.001  -0.006   0.005   0.003 -14.115   0.001  -0.006   0.005
-14.248   0.006   0.015   0.004   0.001 -14.312   0.005   0.014
  0.006 -14.249   0.005  -0.014  -0.006   0.005 -14.313   0.005
  0.015   0.005 -14.258   0.002   0.005   0.014   0.005 -14.321
  0.004  -0.014   0.002 -14.254   0.003   0.003  -0.013   0.002
  0.001  -0.006   0.005   0.003 -14.240   0.001  -0.006   0.005
  0.001  -0.000   0.001  -0.001   0.001   0.001  -0.000   0.000
  0.002  -0.000   0.001  -0.001   0.001   0.002  -0.000   0.001
  0.003   0.003   0.005  -0.000   0.008   0.003   0.002   0.005
 -0.000  -0.005   0.001   0.003  -0.003  -0.000  -0.005   0.001
 -0.006  -0.000  -0.002  -0.003   0.003  -0.006  -0.000  -0.002
  0.003   0.002   0.005  -0.000   0.009   0.003   0.002   0.005
 -0.000  -0.006   0.001   0.003  -0.002  -0.000  -0.006   0.001
 -0.007  -0.000  -0.002  -0.002   0.003  -0.006  -0.000  -0.002
 pseudopotential strength for first ion, spin component:           2
-14.117   0.003   0.015   0.002  -0.000 -14.242   0.003   0.014
  0.003 -14.117   0.005  -0.013  -0.004   0.003 -14.242   0.005
  0.015   0.005 -14.129   0.002   0.006   0.014   0.005 -14.254
  0.002  -0.013   0.002 -14.125   0.003   0.002  -0.013   0.002
 -0.000  -0.004   0.006   0.003 -14.109  -0.000  -0.004   0.005
-14.242   0.003   0.014   0.002  -0.000 -14.306   0.003   0.013
  0.003 -14.242   0.005  -0.013  -0.004   0.003 -14.306   0.005
  0.014   0.005 -14.254   0.002   0.005   0.013   0.005 -14.317
  0.002  -0.013   0.002 -14.250   0.003   0.002  -0.012   0.001
 -0.000  -0.004   0.005   0.003 -14.235  -0.000  -0.004   0.005
  0.001   0.000   0.001  -0.000   0.001   0.001   0.000   0.001
  0.001   0.001   0.001  -0.000   0.002   0.001   0.001   0.001
  0.003   0.003   0.005   0.000   0.009   0.002   0.003   0.005
  0.000  -0.006   0.002   0.003  -0.003   0.000  -0.005   0.001
 -0.006   0.000  -0.002  -0.002   0.003  -0.006   0.000  -0.001
  0.003   0.003   0.006   0.000   0.009   0.003   0.002   0.005
  0.000  -0.007   0.001   0.003  -0.003   0.000  -0.006   0.001
 -0.007   0.000  -0.002  -0.002   0.003  -0.007   0.000  -0.002
 total augmentation occupancy for first ion, spin component:           1
  3.176   0.148   0.071  -0.703   0.069  -1.184  -0.138  -0.066   0.684  -0.067   0.116  -0.023   0.040  -0.000   0.248  -0.005
  0.148   4.940   0.912  -0.193  -0.176  -0.138  -2.905  -0.894   0.179   0.163  -0.006  -0.021   0.729   0.455   0.010  -0.150
  0.071   0.912   3.393  -0.027   0.256  -0.066  -0.895  -1.402   0.026  -0.247   0.079  -0.030   0.425   0.157  -0.014  -0.080
 -0.703  -0.193  -0.027   5.224  -0.143   0.685   0.179   0.026  -3.193   0.142   0.017  -0.016  -0.012   0.021  -0.945  -0.000
  0.069  -0.176   0.256  -0.143   5.631  -0.067   0.163  -0.247   0.142  -3.581   0.048  -0.030   0.536  -0.850   0.028  -0.098
 -1.184  -0.138  -0.066   0.685  -0.067   1.194   0.128   0.061  -0.665   0.065  -0.110   0.028  -0.036  -0.000  -0.232   0.006
 -0.138  -2.905  -0.895   0.179   0.163   0.128   2.871   0.875  -0.166  -0.150   0.004   0.018  -0.705  -0.430  -0.010   0.167
 -0.066  -0.894  -1.402   0.026  -0.247   0.061   0.875   1.412  -0.024   0.238  -0.076   0.032  -0.412  -0.153   0.014   0.091
  0.684   0.179   0.026  -3.193   0.142  -0.665  -0.166  -0.024   3.159  -0.141  -0.020   0.016   0.010  -0.020   0.905   0.000
 -0.067   0.163  -0.247   0.142  -3.581   0.065  -0.150   0.238  -0.141   3.532  -0.045   0.029  -0.523   0.817  -0.027   0.114
  0.116  -0.006   0.079   0.017   0.048  -0.110   0.004  -0.076  -0.020  -0.045   2.801  -0.855   0.031   0.002  -0.020  -0.001
 -0.023  -0.021  -0.030  -0.016  -0.030   0.028   0.018   0.032   0.016   0.029  -0.855   0.291   0.010  -0.010   0.009  -0.003
  0.040   0.729   0.425  -0.012   0.536  -0.036  -0.705  -0.412   0.010  -0.523   0.031   0.010   0.440   0.002  -0.014  -0.106
 -0.000   0.455   0.157   0.021  -0.850  -0.000  -0.430  -0.153  -0.020   0.817   0.002  -0.010   0.002   0.420  -0.003   0.000
  0.248   0.010  -0.014  -0.945   0.028  -0.232  -0.010   0.014   0.905  -0.027  -0.020   0.009  -0.014  -0.003   0.433   0.004
 -0.005  -0.150  -0.080  -0.000  -0.098   0.006   0.167   0.091   0.000   0.114  -0.001  -0.003  -0.106   0.000   0.004   0.030
 -0.000  -0.109  -0.026  -0.005   0.178   0.001   0.113   0.030   0.005  -0.194  -0.005   0.003   0.000  -0.099   0.001  -0.000
 -0.069  -0.001   0.003   0.204  -0.007   0.069   0.001  -0.004  -0.220   0.007   0.008  -0.003   0.004   0.001  -0.102  -0.001
 total augmentation occupancy for first ion, spin component:           2
  0.038  -0.051  -0.007  -0.021  -0.028  -0.032   0.043   0.006   0.018   0.024  -0.012  -0.001  -0.014   0.007  -0.003   0.001
 -0.051   0.060   0.009   0.026   0.041   0.043  -0.051  -0.008  -0.023  -0.035   0.013   0.000   0.016  -0.009   0.006  -0.001
 -0.007   0.009   0.003   0.001   0.004   0.006  -0.008  -0.002  -0.001  -0.003   0.001  -0.000   0.001  -0.001   0.001  -0.000
 -0.021   0.026   0.001   0.013   0.012   0.018  -0.022  -0.001  -0.011  -0.011   0.006   0.001   0.007  -0.004   0.002  -0.000
 -0.028   0.041   0.004   0.012   0.029   0.024  -0.035  -0.003  -0.011  -0.024   0.007  -0.001   0.008  -0.005   0.004  -0.001
 -0.032   0.043   0.006   0.018   0.024   0.027  -0.037  -0.006  -0.015  -0.021   0.011   0.000   0.012  -0.006   0.003  -0.001
  0.043  -0.051  -0.008  -0.022  -0.035  -0.037   0.043   0.007   0.020   0.029  -0.012   0.001  -0.014   0.008  -0.005   0.002
  0.006  -0.008  -0.002  -0.001  -0.003  -0.006   0.007   0.001   0.001   0.002  -0.001   0.000  -0.001   0.001  -0.001   0.000
  0.018  -0.023  -0.001  -0.011  -0.011  -0.015   0.020   0.001   0.009   0.009  -0.006  -0.000  -0.006   0.004  -0.002   0.001
  0.024  -0.035  -0.003  -0.011  -0.024  -0.021   0.029   0.002   0.009   0.019  -0.006   0.001  -0.007   0.005  -0.003   0.001
 -0.012   0.013   0.001   0.006   0.007   0.011  -0.012  -0.001  -0.006  -0.006   0.002  -0.001   0.003  -0.002   0.002  -0.001
 -0.001   0.000  -0.000   0.001  -0.001   0.000   0.001   0.000  -0.000   0.001  -0.001   0.000  -0.000   0.000  -0.000   0.000
 -0.014   0.016   0.001   0.007   0.008   0.012  -0.014  -0.001  -0.006  -0.007   0.003  -0.000   0.004  -0.002   0.002  -0.001
  0.007  -0.009  -0.001  -0.004  -0.005  -0.006   0.008   0.001   0.004   0.005  -0.002   0.000  -0.002   0.001  -0.001   0.000
 -0.003   0.006   0.001   0.002   0.004   0.003  -0.005  -0.001  -0.002  -0.003   0.002  -0.000   0.002  -0.001   0.000  -0.000
  0.001  -0.001  -0.000  -0.000  -0.001  -0.001   0.002   0.000   0.001   0.001  -0.001   0.000  -0.001   0.000  -0.000   0.000
 -0.001   0.001   0.000   0.000   0.001   0.001  -0.001  -0.000  -0.000  -0.001   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.430   0.475   9.900  10.805
  2        0.427   0.467   9.899  10.793
  3        0.427   0.466   9.899  10.793
  4        0.425   0.464   9.899  10.787
  5        0.424   0.462   9.898  10.784
  6        0.424   0.462   9.898  10.784
  7        0.412   0.616   7.180   8.209
  8        0.329   0.417   7.137   7.884
  9        0.642   0.047   0.000   0.688
 10        0.641   0.048   0.000   0.689
 11        0.641   0.047   0.000   0.688
 12        0.641   0.047   0.000   0.688
 13        0.641   0.047   0.000   0.689
 14        0.641   0.047   0.000   0.689
 15        0.642   0.047   0.000   0.689
 16        0.642   0.047   0.000   0.689
 17        0.642   0.047   0.000   0.689
 18        0.642   0.047   0.000   0.689
 19        0.641   0.047   0.000   0.689
 20        0.641   0.047   0.000   0.689
 21        0.641   0.047   0.000   0.688
 22        0.642   0.047   0.000   0.689
 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        0.641   0.047   0.000   0.688
 28        0.641   0.047   0.000   0.689
 29        0.641   0.047   0.000   0.689
 30        0.641   0.047   0.000   0.688
 31        0.642   0.047   0.000   0.689
 32        0.642   0.047   0.000   0.689
 33        0.636   0.046   0.000   0.682
 34        0.640   0.043   0.000   0.684
 35        0.641   0.043   0.000   0.685
 36        0.641   0.043   0.000   0.684
 37        0.870   1.766   0.000   2.636
 38        0.872   1.767   0.000   2.639
 39        0.872   1.769   0.000   2.641
 40        0.872   1.769   0.000   2.641
 41        0.872   1.769   0.000   2.641
 42        0.872   1.770   0.000   2.641
 43        0.871   1.766   0.000   2.637
 44        0.872   1.768   0.000   2.640
 45        0.872   1.768   0.000   2.640
 46        0.871   1.767   0.000   2.637
 47        0.872   1.769   0.000   2.641
 48        0.872   1.770   0.000   2.641
 49        0.871   1.769   0.000   2.641
 50        0.870   1.765   0.000   2.636
 51        0.871   1.769   0.000   2.640
 52        0.871   1.769   0.000   2.640
 53        0.872   1.769   0.000   2.641
 54        0.872   1.769   0.000   2.641
 55        0.871   1.769   0.000   2.640
 56        0.871   1.766   0.000   2.637
 57        0.871   1.766   0.000   2.637
 58        0.871   1.769   0.000   2.641
 59        0.872   1.769   0.000   2.641
 60        0.872   1.769   0.000   2.641
 61        0.860   1.686   0.000   2.546
 62        0.865   1.765   0.000   2.630
 63        0.862   1.691   0.000   2.553
 64        0.867   1.770   0.000   2.637
 65        0.862   1.692   0.000   2.554
 66        0.867   1.770   0.000   2.637
 67        0.862   1.688   0.000   2.551
 68        0.866   1.767   0.000   2.633
 69        0.862   1.688   0.000   2.551
 70        0.866   1.767   0.000   2.633
 71        0.862   1.692   0.000   2.554
 72        0.867   1.770   0.000   2.637
 73        0.860   1.687   0.000   2.547
 74        0.865   1.765   0.000   2.630
 75        0.862   1.689   0.000   2.551
 76        0.866   1.769   0.000   2.636
 77        0.862   1.690   0.000   2.552
 78        0.867   1.770   0.000   2.637
 79        0.860   1.688   0.000   2.548
 80        0.866   1.766   0.000   2.632
 81        0.860   1.688   0.000   2.549
 82        0.866   1.766   0.000   2.632
 83        0.862   1.690   0.000   2.552
 84        0.867   1.770   0.000   2.637
 85        0.841   1.807   0.000   2.648
 86        1.552   3.451   0.000   5.002
 87        1.547   3.467   0.000   5.014
 88        1.567   3.566   0.000   5.133
 89        1.567   3.582   0.000   5.149
 90        1.567   3.574   0.000   5.141
 91        1.567   3.574   0.000   5.141
 92        1.567   3.572   0.000   5.139
 93        1.567   3.574   0.000   5.141
 94        1.575   3.531   0.000   5.106
 95        1.569   3.575   0.000   5.144
 96        1.569   3.575   0.000   5.144
 97        1.574   3.532   0.000   5.107
 98        1.567   3.573   0.000   5.140
 99        1.567   3.574   0.000   5.141
100        1.567   3.565   0.000   5.131
101        1.566   3.574   0.000   5.140
102        1.566   3.574   0.000   5.141
103        1.566   3.574   0.000   5.141
104        1.566   3.576   0.000   5.142
105        1.566   3.575   0.000   5.141
106        1.567   3.566   0.000   5.133
107        1.566   3.575   0.000   5.141
108        1.566   3.575   0.000   5.141
109        1.567   3.566   0.000   5.133
110        1.566   3.576   0.000   5.142
111        1.566   3.575   0.000   5.141
112        1.607   3.252   0.000   4.859
------------------------------------------------
tot      106.065 186.705  73.710 366.480
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.002   0.005   0.008
  2        0.000   0.000   0.004   0.004
  3        0.000   0.000   0.004   0.004
  4        0.000   0.001   0.004   0.005
  5        0.000   0.001   0.004   0.006
  6        0.000   0.001   0.004   0.005
  7        0.012   0.017   1.834   1.863
  8        0.010   0.050   2.488   2.547
  9        0.000   0.000   0.000   0.000
 10       -0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000  -0.000   0.000   0.000
 16        0.000  -0.000   0.000   0.000
 17        0.000  -0.000   0.000   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        0.000  -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        0.000  -0.000   0.000   0.000
 29        0.000  -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   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35       -0.000   0.000   0.000  -0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.001   0.000   0.002
 38       -0.000   0.000   0.000   0.000
 39       -0.000   0.000   0.000   0.000
 40       -0.000   0.000   0.000  -0.000
 41       -0.000   0.000   0.000  -0.000
 42       -0.000   0.000   0.000  -0.000
 43        0.000  -0.000   0.000  -0.000
 44        0.000  -0.000   0.000  -0.000
 45        0.000  -0.000   0.000  -0.000
 46        0.000  -0.000   0.000  -0.000
 47       -0.000   0.000   0.000  -0.000
 48       -0.000   0.000   0.000  -0.000
 49       -0.000  -0.001   0.000  -0.001
 50        0.000  -0.000   0.000  -0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
 54        0.000   0.000   0.000   0.000
 55        0.000  -0.000   0.000  -0.000
 56        0.000   0.000   0.000   0.000
 57        0.000   0.000   0.000   0.000
 58        0.000  -0.000   0.000  -0.000
 59        0.000   0.000   0.000   0.000
 60        0.000   0.000   0.000   0.000
 61        0.001   0.003   0.000   0.004
 62       -0.000  -0.002   0.000  -0.002
 63       -0.000  -0.000   0.000  -0.000
 64        0.000   0.001   0.000   0.001
 65       -0.000  -0.000   0.000  -0.000
 66        0.000   0.000   0.000   0.001
 67       -0.000  -0.002   0.000  -0.003
 68        0.000   0.001   0.000   0.001
 69       -0.000  -0.002   0.000  -0.003
 70        0.000   0.001   0.000   0.001
 71       -0.000  -0.000   0.000  -0.000
 72        0.000   0.000   0.000   0.001
 73        0.000  -0.001   0.000  -0.001
 74        0.001   0.005   0.000   0.006
 75       -0.000  -0.000   0.000  -0.000
 76        0.000   0.000   0.000   0.000
 77       -0.000  -0.000   0.000  -0.000
 78        0.000   0.000   0.000   0.000
 79        0.000  -0.001   0.000  -0.000
 80        0.001   0.003   0.000   0.004
 81        0.000  -0.001   0.000  -0.000
 82        0.001   0.003   0.000   0.004
 83       -0.000  -0.000   0.000  -0.000
 84        0.000   0.000   0.000   0.000
 85        0.000   0.000   0.000   0.000
 86        0.009   0.109   0.000   0.118
 87        0.005   0.095   0.000   0.100
 88        0.002   0.010   0.000   0.012
 89        0.000   0.008   0.000   0.008
 90        0.000   0.003   0.000   0.003
 91        0.000   0.003   0.000   0.003
 92        0.000   0.003   0.000   0.003
 93        0.000   0.002   0.000   0.002
 94        0.002   0.017   0.000   0.018
 95       -0.000   0.004   0.000   0.004
 96       -0.000   0.003   0.000   0.003
 97        0.002   0.017   0.000   0.019
 98        0.000   0.003   0.000   0.003
 99        0.000   0.002   0.000   0.002
100        0.005   0.060   0.000   0.064
101        0.000   0.001   0.000   0.001
102        0.000   0.001   0.000   0.001
103        0.000   0.001   0.000   0.001
104        0.000   0.001   0.000   0.001
105        0.000   0.001   0.000   0.001
106        0.005   0.060   0.000   0.065
107        0.000   0.001   0.000   0.001
108        0.000   0.001   0.000   0.001
109        0.005   0.060   0.000   0.065
110        0.000   0.001   0.000   0.001
111        0.000   0.001   0.000   0.001
112        0.007   0.623   0.000   0.630
------------------------------------------------
tot        0.072   1.174   4.346   5.591
 
    FORLOC:  cpu time    0.1313: real time    0.1313
    FORNL :  cpu time   22.6627: real time   22.6720
    STRESS:  cpu time   31.3245: real time   31.3354
    FORCOR:  cpu time    0.7126: real time    0.7131
    OFIELD:  cpu time    0.0022: real time    0.0022

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

         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)   -5.65496

 E6    (eV) :    -3.8610
 E8    (eV) :    -1.7939
 % E8        : 31.72
    FORVDW:  cpu time    0.5829: real time    0.5831

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   279.74613   279.74613   279.74613
  Ewald   10910.64956 11122.22926 10897.39930   305.90219  -813.46188   -66.79386
  Hartree 20157.04847 20231.41285 20125.96876   152.36900  -614.34251    47.53072
  E(xc)   -2156.32068 -2155.68727 -2156.21464     0.79010    -0.95015    -0.71037
  Local  -36240.67162-36511.87687-36193.54430  -437.56953  1405.00328     2.30069
  n-local -1107.67402 -1105.58051 -1107.09559    -0.31569    -0.19908     0.84545
  augment   716.43727   709.33086   712.87435    -5.86220     5.85964     1.81038
  Kinetic  7440.76146  7428.58867  7439.77530   -16.47559    19.02519    14.80365
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -3.37547    -3.43779    -3.30156     0.01404     0.05955     0.00157
  -------------------------------------------------------------------------------------
  Total      -3.39889    -5.27469    -4.39227    -1.14766     0.99405    -0.21178
  in kB      -1.23792    -1.92110    -1.59971    -0.41799     0.36204    -0.07713
  external pressure =       -1.59 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :     4399.03
      direct lattice vectors                 reciprocal lattice vectors
    18.405800000  0.000000000  0.000000000     0.054330700 -0.031304154 -0.022118545
     9.174896317 15.923718486  0.000000000     0.000000000  0.062799402 -0.022253626
     9.174896317  5.318672524 15.009214936     0.000000000  0.000000000  0.066625737

  length of vectors
    18.405800000 18.377800000 18.377800000     0.066490639  0.066625737  0.066625737


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.516E+01 0.716E+03 -.252E+03   0.465E+01 -.713E+03 0.251E+03   0.500E+00 -.263E+01 0.613E+00
   -.330E+02 0.763E+02 0.728E+03   0.325E+02 -.762E+02 -.726E+03   0.481E+00 -.103E+00 -.263E+01
   -.639E+03 -.296E+03 -.255E+03   0.637E+03 0.295E+03 0.255E+03   0.242E+01 0.100E+01 0.536E+00
   -.214E+02 -.634E+03 0.239E+03   0.216E+02 0.632E+03 -.239E+03   -.149E+00 0.188E+01 -.586E+00
   0.534E+03 0.329E+03 0.249E+03   -.532E+03 -.328E+03 -.249E+03   -.175E+01 -.775E+00 -.554E+00
   -.294E+02 0.305E+01 -.675E+03   0.296E+02 -.315E+01 0.673E+03   -.177E+00 0.106E+00 0.200E+01
   0.524E+03 -.225E+03 -.247E+03   -.522E+03 0.223E+03 0.246E+03   -.254E+01 0.195E+01 0.906E+00
   -.460E+03 0.240E+03 0.200E+03   0.459E+03 -.239E+03 -.199E+03   0.119E+01 -.533E+00 -.533E+00
   0.495E+02 -.784E+02 -.239E+01   -.500E+02 0.841E+02 0.705E+00   0.489E+00 -.561E+01 0.169E+01
   -.425E+02 0.824E+02 -.295E+01   0.473E+02 -.854E+02 0.111E+01   -.476E+01 0.301E+01 0.184E+01
   0.415E+02 0.296E+02 0.795E+02   -.462E+02 -.323E+02 -.818E+02   0.470E+01 0.272E+01 0.231E+01
   -.512E+02 -.264E+02 -.755E+02   0.515E+02 0.266E+02 0.814E+02   -.311E+00 -.192E+00 -.589E+01
   -.253E+00 0.554E+02 -.751E+02   0.253E+00 -.558E+02 0.810E+02   -.341E-03 0.389E+00 -.589E+01
   -.493E+00 -.500E+02 0.770E+02   0.489E+00 0.555E+02 -.793E+02   0.398E-02 -.544E+01 0.229E+01
   0.934E+02 0.180E+01 -.109E+02   -.984E+02 -.449E+01 0.947E+01   0.502E+01 0.270E+01 0.145E+01
   -.949E+02 -.173E+01 -.642E+01   0.999E+02 -.774E+00 0.460E+01   -.503E+01 0.251E+01 0.182E+01
   -.406E+02 0.304E+02 0.811E+02   0.454E+02 -.331E+02 -.834E+02   -.475E+01 0.266E+01 0.230E+01
   0.561E+02 -.201E+02 -.740E+02   -.567E+02 0.200E+02 0.799E+02   0.562E+00 0.104E+00 -.586E+01
   0.449E+02 0.816E+02 -.827E+00   -.496E+02 -.847E+02 -.959E+00   0.469E+01 0.310E+01 0.179E+01
   -.485E+02 -.784E+02 -.150E+01   0.488E+02 0.840E+02 -.293E+00   -.296E+00 -.562E+01 0.180E+01
   -.446E+02 0.804E+02 -.788E+00   0.451E+02 -.860E+02 0.249E+01   -.459E+00 0.562E+01 -.171E+01
   0.477E+02 -.780E+02 -.138E+01   -.524E+02 0.810E+02 0.322E+01   0.474E+01 -.301E+01 -.183E+01
   0.445E+02 0.273E+02 0.767E+02   -.449E+02 -.275E+02 -.826E+02   0.336E+00 0.187E+00 0.589E+01
   -.476E+02 -.265E+02 -.755E+02   0.523E+02 0.293E+02 0.778E+02   -.469E+01 -.271E+01 -.232E+01
   -.459E+02 -.796E+02 0.156E+00   0.506E+02 0.827E+02 0.162E+01   -.469E+01 -.310E+01 -.178E+01
   0.458E+02 0.799E+02 0.660E+00   -.461E+02 -.856E+02 0.112E+01   0.310E+00 0.562E+01 -.178E+01
   -.452E+02 0.223E+02 0.783E+02   0.458E+02 -.222E+02 -.842E+02   -.576E+00 -.130E+00 0.587E+01
   0.489E+02 -.256E+02 -.743E+02   -.535E+02 0.284E+02 0.766E+02   0.465E+01 -.281E+01 -.231E+01
   0.920E+02 -.486E+00 -.200E+01   -.971E+02 0.308E+01 0.366E+01   0.503E+01 -.260E+01 -.166E+01
   -.926E+02 -.495E+01 0.155E+01   0.977E+02 0.767E+01 -.116E+00   -.503E+01 -.272E+01 -.143E+01
   -.603E-01 -.530E+02 0.750E+02   0.662E-01 0.534E+02 -.809E+02   -.543E-02 -.390E+00 0.589E+01
   -.340E+00 0.531E+02 -.755E+02   0.354E+00 -.585E+02 0.778E+02   -.137E-01 0.543E+01 -.231E+01
   0.139E+02 -.544E+02 -.335E+01   -.157E+02 0.514E+02 0.767E+01   0.187E+01 0.305E+01 -.432E+01
   0.342E+02 -.571E+02 0.600E+02   -.383E+02 0.577E+02 -.637E+02   0.405E+01 -.530E+00 0.367E+01
   -.335E+02 -.383E+02 0.538E+02   0.377E+02 0.358E+02 -.562E+02   -.427E+01 0.255E+01 0.235E+01
   -.141E+02 -.989E+02 0.338E+00   0.156E+02 0.104E+03 0.146E+01   -.154E+01 -.496E+01 -.183E+01
   0.127E+03 -.163E+03 -.195E+02   -.127E+03 0.164E+03 0.191E+02   0.472E+00 -.173E+01 0.327E+00
   -.738E+02 0.188E+03 -.204E+02   0.753E+02 -.189E+03 0.200E+02   -.153E+01 0.129E+01 0.480E+00
   0.675E+02 0.600E+02 0.188E+03   -.689E+02 -.608E+02 -.189E+03   0.144E+01 0.840E+00 0.104E+01
   -.135E+03 -.627E+02 -.153E+03   0.135E+03 0.630E+02 0.155E+03   -.357E+00 -.234E+00 -.193E+01
   -.106E+01 0.140E+03 -.154E+03   0.105E+01 -.140E+03 0.156E+03   0.501E-02 0.437E+00 -.192E+01
   -.131E+01 -.919E+02 0.180E+03   0.131E+01 0.935E+02 -.181E+03   -.206E-02 -.167E+01 0.104E+01
   0.205E+03 -.130E+02 -.489E+02   -.206E+03 0.124E+02 0.487E+02   0.176E+01 0.618E+00 0.199E+00
   -.208E+03 -.219E+02 -.384E+02   0.210E+03 0.213E+02 0.378E+02   -.184E+01 0.510E+00 0.606E+00
   -.600E+02 0.645E+02 0.195E+03   0.616E+02 -.652E+02 -.196E+03   -.157E+01 0.676E+00 0.105E+01
   0.151E+03 -.449E+02 -.146E+03   -.152E+03 0.450E+02 0.148E+03   0.532E+00 -.850E-01 -.180E+01
   0.838E+02 0.189E+03 -.134E+02   -.852E+02 -.190E+03 0.130E+02   0.144E+01 0.127E+01 0.434E+00
   -.121E+03 -.162E+03 -.151E+02   0.121E+03 0.164E+03 0.146E+02   -.370E+00 -.189E+01 0.439E+00
   -.106E+03 0.172E+03 0.482E+01   0.106E+03 -.174E+03 -.443E+01   -.446E+00 0.183E+01 -.379E+00
   0.955E+02 -.175E+03 0.420E+01   -.970E+02 0.176E+03 -.373E+01   0.146E+01 -.121E+01 -.464E+00
   0.102E+03 0.694E+02 0.162E+03   -.103E+03 -.696E+02 -.164E+03   0.406E+00 0.224E+00 0.189E+01
   -.998E+02 -.497E+02 -.174E+03   0.101E+03 0.505E+02 0.175E+03   -.140E+01 -.815E+00 -.107E+01
   -.901E+02 -.180E+03 0.965E+01   0.915E+02 0.181E+03 -.923E+01   -.141E+01 -.128E+01 -.410E+00
   0.112E+03 0.170E+03 0.109E+02   -.112E+03 -.172E+03 -.105E+02   0.396E+00 0.187E+01 -.413E+00
   -.100E+03 0.617E+02 0.169E+03   0.100E+03 -.618E+02 -.171E+03   -.458E+00 0.159E+00 0.186E+01
   0.107E+03 -.438E+02 -.168E+03   -.108E+03 0.447E+02 0.169E+03   0.145E+01 -.855E+00 -.104E+01
   0.201E+03 0.116E+02 -.593E+01   -.202E+03 -.110E+02 0.638E+01   0.182E+01 -.640E+00 -.432E+00
   -.206E+03 0.136E+01 0.240E+01   0.208E+03 -.725E+00 -.205E+01   -.180E+01 -.624E+00 -.328E+00
   -.555E+00 -.128E+03 0.155E+03   0.556E+00 0.128E+03 -.157E+03   -.620E-03 -.464E+00 0.189E+01
   -.101E+01 0.104E+03 -.176E+03   0.102E+01 -.106E+03 0.177E+03   -.635E-02 0.163E+01 -.106E+01
   0.208E+03 0.109E+03 -.165E+03   -.212E+03 -.111E+03 0.169E+03   0.420E+01 0.233E+01 -.340E+01
   0.783E+02 0.363E+02 -.601E+02   -.789E+02 -.366E+02 0.606E+02   0.649E+00 0.317E+00 -.510E+00
   -.221E+03 -.878E+02 0.158E+03   0.225E+03 0.901E+02 -.161E+03   -.395E+01 -.233E+01 0.323E+01
   -.889E+02 -.241E+02 0.562E+02   0.894E+02 0.244E+02 -.566E+02   -.523E+00 -.304E+00 0.423E+00
   -.429E+01 0.237E+03 0.157E+03   0.426E+01 -.242E+03 -.160E+03   0.270E-01 0.457E+01 0.324E+01
   -.176E+01 0.828E+02 0.521E+02   0.176E+01 -.834E+02 -.525E+02   -.135E-02 0.620E+00 0.428E+00
   -.495E+01 -.195E+03 -.232E+03   0.441E+01 0.199E+03 0.235E+03   0.541E+00 -.459E+01 -.311E+01
   -.480E+00 -.661E+02 -.102E+03   0.453E+00 0.668E+02 0.102E+03   0.320E-01 -.719E+00 -.483E+00
   0.247E+03 -.451E+02 0.168E+03   -.251E+03 0.476E+02 -.171E+03   0.412E+01 -.250E+01 0.280E+01
   0.108E+03 -.224E+01 0.639E+02   -.109E+03 0.259E+01 -.643E+02   0.611E+00 -.375E+00 0.479E+00
   -.199E+03 0.122E+03 -.161E+03   0.203E+03 -.124E+03 0.164E+03   -.395E+01 0.226E+01 -.327E+01
   -.678E+02 0.433E+02 -.549E+02   0.683E+02 -.436E+02 0.553E+02   -.530E+00 0.312E+00 -.439E+00
   -.185E+03 -.954E+02 0.148E+03   0.189E+03 0.978E+02 -.151E+03   -.396E+01 -.237E+01 0.326E+01
   -.535E+02 -.281E+02 0.435E+02   0.541E+02 0.284E+02 -.439E+02   -.567E+00 -.331E+00 0.463E+00
   0.183E+03 0.109E+03 -.151E+03   -.187E+03 -.111E+03 0.155E+03   0.405E+01 0.235E+01 -.331E+01
   0.514E+02 0.365E+02 -.463E+02   -.519E+02 -.369E+02 0.468E+02   0.600E+00 0.340E+00 -.487E+00
   0.187E+03 -.107E+03 0.155E+03   -.191E+03 0.109E+03 -.158E+03   0.408E+01 -.232E+01 0.329E+01
   0.598E+02 -.333E+02 0.501E+02   -.604E+02 0.336E+02 -.505E+02   0.595E+00 -.336E+00 0.472E+00
   -.184E+03 0.105E+03 -.134E+03   0.188E+03 -.108E+03 0.137E+03   -.384E+01 0.263E+01 -.324E+01
   -.483E+02 0.335E+02 -.369E+02   0.488E+02 -.339E+02 0.374E+02   -.564E+00 0.364E+00 -.478E+00
   -.134E+02 0.205E+03 0.148E+03   0.135E+02 -.209E+03 -.151E+03   -.308E-01 0.483E+01 0.297E+01
   -.443E+01 0.600E+02 0.412E+02   0.443E+01 -.606E+02 -.416E+02   0.149E-02 0.685E+00 0.457E+00
   -.740E+00 -.216E+03 -.154E+03   0.710E+00 0.221E+03 0.158E+03   0.303E-01 -.466E+01 -.333E+01
   -.548E+00 -.683E+02 -.503E+02   0.539E+00 0.690E+02 0.508E+02   0.856E-02 -.673E+00 -.479E+00
   -.248E-03 -.248E+03 0.109E+03   -.194E+00 0.248E+03 -.109E+03   0.193E+00 0.317E+00 -.465E+00
   0.544E+02 0.201E+02 -.435E+02   -.581E+02 -.186E+02 0.451E+02   0.373E+01 -.158E+01 -.166E+01
   -.602E+02 0.290E+02 0.273E+02   0.606E+02 -.294E+02 -.274E+02   -.369E+00 0.315E+00 0.987E-01
   0.429E+03 -.105E+03 -.223E+03   -.442E+03 0.141E+03 0.218E+03   0.134E+02 -.367E+02 0.500E+01
   0.124E+03 0.447E+03 -.235E+03   -.100E+03 -.481E+03 0.232E+03   -.244E+02 0.340E+02 0.278E+01
   -.146E+03 -.700E+01 0.499E+03   0.122E+03 -.832E+01 -.529E+03   0.245E+02 0.153E+02 0.300E+02
   -.473E+03 -.229E+03 -.548E+02   0.489E+03 0.239E+03 0.920E+02   -.160E+02 -.977E+01 -.372E+02
   -.364E+01 0.522E+03 -.507E+02   0.356E+01 -.541E+03 0.879E+02   0.785E-01 0.187E+02 -.372E+02
   -.155E+02 0.151E+03 0.489E+03   0.159E+02 -.122E+03 -.519E+03   -.451E+00 -.295E+02 0.297E+02
   0.289E+03 -.112E+03 -.451E+03   -.326E+03 0.931E+02 0.461E+03   0.371E+02 0.188E+02 -.982E+01
   -.355E+03 -.349E+03 -.214E+03   0.395E+03 0.352E+03 0.200E+03   -.401E+02 -.315E+01 0.135E+02
   0.103E+03 -.669E+02 0.518E+03   -.733E+02 0.640E+02 -.548E+03   -.301E+02 0.293E+01 0.298E+02
   0.545E+03 0.332E+02 -.395E+02   -.566E+03 -.422E+02 0.754E+02   0.212E+02 0.895E+01 -.359E+02
   -.113E+03 0.458E+03 -.226E+03   0.884E+02 -.491E+03 0.223E+03   0.249E+02 0.332E+02 0.360E+01
   -.451E+03 -.106E+03 -.222E+03   0.467E+03 0.145E+03 0.218E+03   -.159E+02 -.385E+02 0.427E+01
   -.396E+03 0.153E+03 0.190E+03   0.411E+03 -.191E+03 -.186E+03   -.157E+02 0.377E+02 -.375E+01
   -.104E+03 -.417E+03 0.212E+03   0.786E+02 0.450E+03 -.208E+03   0.251E+02 -.327E+02 -.378E+01
   0.418E+03 0.244E+03 0.495E+02   -.434E+03 -.253E+03 -.866E+02   0.161E+02 0.915E+01 0.371E+02
   0.977E+02 0.607E+02 -.474E+03   -.728E+02 -.464E+02 0.504E+03   -.249E+02 -.144E+02 -.299E+02
   0.105E+03 -.426E+03 0.218E+03   -.800E+02 0.459E+03 -.215E+03   -.247E+02 -.331E+02 -.348E+01
   0.421E+03 0.125E+03 0.219E+03   -.437E+03 -.163E+03 -.215E+03   0.161E+02 0.380E+02 -.375E+01
   -.401E+03 0.208E+03 0.937E+02   0.417E+03 -.216E+03 -.131E+03   -.158E+02 0.751E+01 0.371E+02
   -.113E+03 0.505E+02 -.461E+03   0.884E+02 -.358E+02 0.491E+03   0.242E+02 -.147E+02 -.302E+02
   0.305E+03 0.293E+03 0.225E+03   -.346E+03 -.288E+03 -.223E+03   0.410E+02 -.500E+01 -.277E+01
   -.336E+03 0.247E+03 0.203E+03   0.376E+03 -.240E+03 -.200E+03   -.404E+02 -.669E+01 -.297E+01
   -.764E+00 -.488E+03 0.427E+02   0.679E+00 0.507E+03 -.796E+02   0.836E-01 -.187E+02 0.369E+02
   -.244E+01 -.121E+03 -.476E+03   0.238E+01 0.920E+02 0.506E+03   0.541E-01 0.288E+02 -.298E+02
   0.113E+03 -.646E+03 0.138E+03   -.106E+03 0.668E+03 -.150E+03   -.723E+01 -.213E+02 0.115E+02
 -----------------------------------------------------------------------------------------------
   0.672E+01 0.112E+02 -.758E+01   0.512E-12 0.114E-12 -.284E-12   -.672E+01 -.112E+02 0.758E+01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      9.17710      3.54406      4.38435        -0.013245      0.003807      0.006091
      9.17477      5.36006      1.81670         0.000156     -0.009835     -0.001266
     10.74102      6.27582      4.38803         0.003581     -0.006510      0.008979
     27.57949     17.81346     10.58038         0.007508      0.000787     -0.003212
     25.99131     15.02755     10.58021        -0.007008      0.000871      0.000714
     27.59268     15.94951     13.19360        -0.003204      0.002350      0.002765
      7.50855      6.53302      4.35350         0.006131      0.006915     -0.006021
     29.21606     15.05751     10.55601         0.003595      0.005194     -0.003254
     22.74774      5.19256      6.75593         0.004296     -0.002188     -0.002226
     15.72812     17.43035      6.70927        -0.006298      0.000020      0.003196
     21.01838     12.15010     13.97318         0.004056      0.005583     -0.001758
     13.98954      8.07342      2.47029         0.000797      0.003241     -0.007467
     18.36969     15.73088      2.47911        -0.000903      0.005230     -0.000377
     18.36690      7.61401     13.98705        -0.000427     -0.002512     -0.003997
     25.44504      9.37679      7.10596        -0.002884      0.000873      0.011778
     11.33376      9.46337      6.97163        -0.001249     -0.000511      0.003085
     15.62985     11.95466     13.97006        -0.003613     -0.001406      0.002968
     22.61458      7.73426      2.45625        -0.011960     -0.005837     -0.003535
     20.99206     17.26042      6.77402        -0.000196      0.004155     -0.001297
     13.95318      5.06292      6.77200         0.005558      0.001368      0.002968
     13.98631     16.36006      8.15345         0.005023      0.002273     -0.003018
     21.00763      4.12061      8.19990        -0.006173      0.002486      0.003596
     22.79126     13.17670     12.52281         0.002554      0.002403      0.001083
     15.76522      9.09809      1.02225        -0.001155      0.000187     -0.004776
     15.73442      4.04315      8.21866         0.000256     -0.004503      0.001162
     22.77113     16.24018      8.21995         0.001434     -0.003689      0.001616
     13.94982     13.11366     12.51925        -0.002530      0.000802      0.000322
     20.95078      8.92480      1.00610        -0.002807     -0.006135     -0.003169
     25.44681     11.54037      8.37353         0.003430     -0.002538      0.009477
     11.33724     11.60525      8.26856        -0.001351      0.001424      0.003486
     18.37248      5.56749     12.53228         0.000502     -0.003288      0.003285
     18.37618     13.68540      1.02653         0.000975     -0.005581     -0.000705
      8.88520      9.07320      1.92756         0.006042     -0.000599      0.007687
      8.43914      9.77989      0.34958         0.017212      0.007449     -0.010012
     10.09962      9.16565      0.61644         0.002588      0.019716     -0.021083
      9.55413     10.66008      1.44439         0.007383     -0.000140     -0.025754
     22.84679      4.15184      7.06395         0.007642      0.008127     -0.007131
     14.85839     17.99504      7.04099        -0.000532      0.003387      0.000385
     21.88158     12.64887     14.41222        -0.016172     -0.005438     -0.001180
     13.91934      8.03147      1.38400        -0.006686      0.000962      0.016157
     18.36969     15.81633      1.39328         0.000416      0.011187      0.007694
     18.36798      6.61610     14.42349         0.000723      0.005842      0.001879
     26.38104      9.86775      7.37048         0.003518     -0.016436      0.003204
     10.39956      9.91836      7.29736         0.007131     -0.011563      0.001758
     14.76139     12.44529     14.40711         0.002689     -0.008570     -0.002973
     22.72675      7.74642      1.37255         0.000444     -0.011128      0.004211
     21.85335     17.84390      7.09663        -0.009888      0.004234     -0.007161
     13.88627      4.02533      7.09628        -0.003366      0.001314     -0.005039
     13.89084     17.40020      7.84369        -0.008024     -0.010519      0.007546
     21.87724      3.55496      7.86861        -0.013172      0.001423      0.006933
     22.86442     13.21793     13.60878         0.009085      0.005133     -0.009849
     14.90297      8.59974      0.58106         0.010803      0.005703     -0.008180
     14.87267      3.45971      7.89717         0.013903     -0.001858      0.011799
     22.83968     17.27825      7.89782         0.007057     -0.008690      0.008552
     13.83299     13.09590     13.60220        -0.011663     -0.003113     -0.009283
     21.80420      8.41013      0.56671        -0.017085     -0.005668     -0.008380
     26.38254     11.07113      8.07271         0.000745      0.003461      0.018104
     10.40114     11.11173      8.01014         0.006082      0.002444      0.015887
     18.37153      5.48218     13.61819         0.000285     -0.013184     -0.015148
     18.37368     14.68219      0.58789        -0.000972     -0.011103     -0.003142
      6.63062      4.00783      5.77589        -0.005535      0.007688      0.000481
      5.55737      3.41432      6.64232         0.001153     -0.001793     -0.000110
     11.75241      6.78685      1.66511        -0.005542      0.005942     -0.002696
     12.81436      7.39321      0.80055         0.004334      0.005157      0.002090
      9.19211      2.39324      1.67489         0.001542      0.002266      0.007126
      9.19254      1.16956      0.81149         0.000901      0.004923      0.002256
      9.21800      8.04530      6.13384         0.003758     -0.006093      0.001107
      9.18762      9.28476      6.97283         0.003061     -0.008632      0.005279
      6.48229      6.46236      1.63880         0.002584     -0.001237     -0.003850
      5.42511      7.10330      0.79395         0.004771     -0.007934      0.005273
     11.72574      3.86950      5.82327        -0.004798     -0.001356     -0.006087
     12.78336      3.25914      6.69022        -0.005448      0.002179     -0.006338
     30.13145     17.49985      9.13219         0.002514     -0.001360     -0.003172
     31.17913     18.13614      8.26660        -0.000973      0.007226     -0.003239
     25.02771     14.47016     13.32741         0.006051      0.006022     -0.004255
     23.96967     13.85698     14.19207         0.006406      0.000598     -0.002172
     25.00744     17.43437      9.16190        -0.002467      0.000916     -0.001352
     23.94374     18.04380      8.30298         0.003179      0.002380     -0.000864
     30.12936     14.44543     13.31719        -0.006069     -0.004215     -0.006161
     31.13706     13.74685     14.17965        -0.007664     -0.009844     -0.005558
     27.59131     12.98278      9.17950         0.004528     -0.001092      0.008057
     27.59476     11.70118      8.40210        -0.001536     -0.004329      0.019481
     27.55812     18.90831     13.33253         0.001230      0.000944      0.001143
     27.55007     20.12840     14.19962         0.000164      0.003290     -0.000183
      9.24657      9.67139      1.08383        -0.000603     -0.003353     -0.013089
      9.09468      5.39919      3.77757         0.000192      0.003731     -0.000146
     27.62515     15.94265     11.21611        -0.005758      0.004630      0.001067
      6.51985      5.23218      5.40717         0.000499      0.007335     -0.001187
      7.58644      3.22488      5.47123        -0.010828      0.004696      0.005427
     10.78242      6.20843      1.06955        -0.008232      0.005970      0.003233
     11.90251      6.89483      2.92840        -0.007364      0.007418      0.002917
      9.18745      2.20954      2.93971        -0.000784      0.004929      0.002142
      9.19906      3.52275      1.08199         0.002808     -0.003222      0.001357
      8.14523      7.33572      6.05282         0.001647     -0.001789     -0.010023
     10.31914      7.79756      5.54711         0.000560     -0.005847      0.007929
      7.58218      6.20494      1.05373        -0.000495     -0.005525      0.002448
      6.21526      6.23255      2.87791         0.011173      0.003833      0.006097
     10.74721      3.11843      5.48912        -0.003036      0.004343     -0.001757
     11.88478      5.08886      5.48328         0.002701     -0.006219     -0.005357
     30.29720     16.27366      9.46444         0.005354      0.008435     -0.005059
     29.14443     18.23661      9.47463         0.004467      0.002639     -0.002875
     24.86851     14.38191     12.06279        -0.000395      0.001635      0.003696
     26.00823     15.03498     13.92078        -0.003320     -0.000242     -0.002631
     25.98614     18.18585      9.49199        -0.000792      0.001991      0.001029
     24.85415     16.21134      9.49742         0.000248      0.001911     -0.003402
     30.30096     14.40236     12.04892        -0.000823     -0.005832      0.004061
     29.16453     15.02884     13.92003        -0.009044     -0.004463     -0.002076
     26.44783     13.46316      9.48965         0.000126     -0.001731      0.007712
     28.72484     13.49591      9.48219        -0.002417     -0.004748      0.002320
     27.56005     19.09606     12.06910        -0.001983      0.002852      0.001533
     27.56302     17.77543     13.92285         0.002998      0.003430      0.001659
      8.00057      7.88508      3.59154         0.015923      0.003737     -0.011253
 -----------------------------------------------------------------------------------
    total drift:                                0.000506      0.001531     -0.001734


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -763.03134290 eV

  energy  without entropy=     -763.03134290  energy(sigma->0) =     -763.03134290
 


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


    POTLOK:  cpu time    0.7045: real time    0.7051


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


 stress matrix after NEB project (eV)
     -3.39889     -1.14766     -0.21178
     -1.14766     -5.27469      0.99405
     -0.21178      0.99405     -4.39227
  FORCES: max atom, RMS     0.028981    0.010800
  FORCE total and by dimension    0.114297    0.025754
  Stress total and by dimension    7.960339    5.274688
 writing wavefunctions
     LOOP+:  cpu time  190.0564: real time  190.5006
    4ORBIT:  cpu time    0.0000: real time    0.0000
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.430   0.475   9.900  10.805
  2        0.427   0.467   9.899  10.793
  3        0.427   0.466   9.899  10.793
  4        0.425   0.464   9.899  10.787
  5        0.424   0.462   9.898  10.784
  6        0.424   0.462   9.898  10.784
  7        0.412   0.616   7.180   8.209
  8        0.329   0.417   7.137   7.884
  9        0.642   0.047   0.000   0.688
 10        0.641   0.048   0.000   0.689
 11        0.641   0.047   0.000   0.688
 12        0.641   0.047   0.000   0.688
 13        0.641   0.047   0.000   0.689
 14        0.641   0.047   0.000   0.689
 15        0.642   0.047   0.000   0.689
 16        0.642   0.047   0.000   0.689
 17        0.642   0.047   0.000   0.689
 18        0.642   0.047   0.000   0.689
 19        0.641   0.047   0.000   0.689
 20        0.641   0.047   0.000   0.689
 21        0.641   0.047   0.000   0.688
 22        0.642   0.047   0.000   0.689
 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        0.641   0.047   0.000   0.688
 28        0.641   0.047   0.000   0.689
 29        0.641   0.047   0.000   0.689
 30        0.641   0.047   0.000   0.688
 31        0.642   0.047   0.000   0.689
 32        0.642   0.047   0.000   0.689
 33        0.636   0.046   0.000   0.682
 34        0.640   0.043   0.000   0.684
 35        0.641   0.043   0.000   0.685
 36        0.641   0.043   0.000   0.684
 37        0.870   1.766   0.000   2.636
 38        0.872   1.767   0.000   2.639
 39        0.872   1.769   0.000   2.641
 40        0.872   1.769   0.000   2.641
 41        0.872   1.769   0.000   2.641
 42        0.872   1.770   0.000   2.641
 43        0.871   1.766   0.000   2.637
 44        0.872   1.768   0.000   2.640
 45        0.872   1.768   0.000   2.640
 46        0.871   1.767   0.000   2.637
 47        0.872   1.769   0.000   2.641
 48        0.872   1.770   0.000   2.641
 49        0.871   1.769   0.000   2.641
 50        0.870   1.765   0.000   2.636
 51        0.871   1.769   0.000   2.640
 52        0.871   1.769   0.000   2.640
 53        0.872   1.769   0.000   2.641
 54        0.872   1.769   0.000   2.641
 55        0.871   1.769   0.000   2.640
 56        0.871   1.766   0.000   2.637
 57        0.871   1.766   0.000   2.637
 58        0.871   1.769   0.000   2.641
 59        0.872   1.769   0.000   2.641
 60        0.872   1.769   0.000   2.641
 61        0.860   1.686   0.000   2.546
 62        0.865   1.765   0.000   2.630
 63        0.862   1.691   0.000   2.553
 64        0.867   1.770   0.000   2.637
 65        0.862   1.692   0.000   2.554
 66        0.867   1.770   0.000   2.637
 67        0.862   1.688   0.000   2.551
 68        0.866   1.767   0.000   2.633
 69        0.862   1.688   0.000   2.551
 70        0.866   1.767   0.000   2.633
 71        0.862   1.692   0.000   2.554
 72        0.867   1.770   0.000   2.637
 73        0.860   1.687   0.000   2.547
 74        0.865   1.765   0.000   2.630
 75        0.862   1.689   0.000   2.551
 76        0.866   1.769   0.000   2.636
 77        0.862   1.690   0.000   2.552
 78        0.867   1.770   0.000   2.637
 79        0.860   1.688   0.000   2.548
 80        0.866   1.766   0.000   2.632
 81        0.860   1.688   0.000   2.549
 82        0.866   1.766   0.000   2.632
 83        0.862   1.690   0.000   2.552
 84        0.867   1.770   0.000   2.637
 85        0.841   1.807   0.000   2.648
 86        1.552   3.451   0.000   5.002
 87        1.547   3.467   0.000   5.014
 88        1.567   3.566   0.000   5.133
 89        1.567   3.582   0.000   5.149
 90        1.567   3.574   0.000   5.141
 91        1.567   3.574   0.000   5.141
 92        1.567   3.572   0.000   5.139
 93        1.567   3.574   0.000   5.141
 94        1.575   3.531   0.000   5.106
 95        1.569   3.575   0.000   5.144
 96        1.569   3.575   0.000   5.144
 97        1.574   3.532   0.000   5.107
 98        1.567   3.573   0.000   5.140
 99        1.567   3.574   0.000   5.141
100        1.567   3.565   0.000   5.131
101        1.566   3.574   0.000   5.140
102        1.566   3.574   0.000   5.141
103        1.566   3.574   0.000   5.141
104        1.566   3.576   0.000   5.142
105        1.566   3.575   0.000   5.141
106        1.567   3.566   0.000   5.133
107        1.566   3.575   0.000   5.141
108        1.566   3.575   0.000   5.141
109        1.567   3.566   0.000   5.133
110        1.566   3.576   0.000   5.142
111        1.566   3.575   0.000   5.141
112        1.607   3.252   0.000   4.859
------------------------------------------------
tot      106.065 186.705  73.710 366.480
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.002   0.005   0.008
  2        0.000   0.000   0.004   0.004
  3        0.000   0.000   0.004   0.004
  4        0.000   0.001   0.004   0.005
  5        0.000   0.001   0.004   0.006
  6        0.000   0.001   0.004   0.005
  7        0.012   0.017   1.834   1.863
  8        0.010   0.050   2.488   2.547
  9        0.000   0.000   0.000   0.000
 10       -0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000  -0.000   0.000   0.000
 16        0.000  -0.000   0.000   0.000
 17        0.000  -0.000   0.000   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        0.000  -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        0.000  -0.000   0.000   0.000
 29        0.000  -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   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35       -0.000   0.000   0.000  -0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.001   0.000   0.002
 38       -0.000   0.000   0.000   0.000
 39       -0.000   0.000   0.000   0.000
 40       -0.000   0.000   0.000  -0.000
 41       -0.000   0.000   0.000  -0.000
 42       -0.000   0.000   0.000  -0.000
 43        0.000  -0.000   0.000  -0.000
 44        0.000  -0.000   0.000  -0.000
 45        0.000  -0.000   0.000  -0.000
 46        0.000  -0.000   0.000  -0.000
 47       -0.000   0.000   0.000  -0.000
 48       -0.000   0.000   0.000  -0.000
 49       -0.000  -0.001   0.000  -0.001
 50        0.000  -0.000   0.000  -0.000
 51        0.000   0.000   0.000   0.000
 52        0.000   0.000   0.000   0.000
 53        0.000   0.000   0.000   0.000
 54        0.000   0.000   0.000   0.000
 55        0.000  -0.000   0.000  -0.000
 56        0.000   0.000   0.000   0.000
 57        0.000   0.000   0.000   0.000
 58        0.000  -0.000   0.000  -0.000
 59        0.000   0.000   0.000   0.000
 60        0.000   0.000   0.000   0.000
 61        0.001   0.003   0.000   0.004
 62       -0.000  -0.002   0.000  -0.002
 63       -0.000  -0.000   0.000  -0.000
 64        0.000   0.001   0.000   0.001
 65       -0.000  -0.000   0.000  -0.000
 66        0.000   0.000   0.000   0.001
 67       -0.000  -0.002   0.000  -0.003
 68        0.000   0.001   0.000   0.001
 69       -0.000  -0.002   0.000  -0.003
 70        0.000   0.001   0.000   0.001
 71       -0.000  -0.000   0.000  -0.000
 72        0.000   0.000   0.000   0.001
 73        0.000  -0.001   0.000  -0.001
 74        0.001   0.005   0.000   0.006
 75       -0.000  -0.000   0.000  -0.000
 76        0.000   0.000   0.000   0.000
 77       -0.000  -0.000   0.000  -0.000
 78        0.000   0.000   0.000   0.000
 79        0.000  -0.001   0.000  -0.000
 80        0.001   0.003   0.000   0.004
 81        0.000  -0.001   0.000  -0.000
 82        0.001   0.003   0.000   0.004
 83       -0.000  -0.000   0.000  -0.000
 84        0.000   0.000   0.000   0.000
 85        0.000   0.000   0.000   0.000
 86        0.009   0.109   0.000   0.118
 87        0.005   0.095   0.000   0.100
 88        0.002   0.010   0.000   0.012
 89        0.000   0.008   0.000   0.008
 90        0.000   0.003   0.000   0.003
 91        0.000   0.003   0.000   0.003
 92        0.000   0.003   0.000   0.003
 93        0.000   0.002   0.000   0.002
 94        0.002   0.017   0.000   0.018
 95       -0.000   0.004   0.000   0.004
 96       -0.000   0.003   0.000   0.003
 97        0.002   0.017   0.000   0.019
 98        0.000   0.003   0.000   0.003
 99        0.000   0.002   0.000   0.002
100        0.005   0.060   0.000   0.064
101        0.000   0.001   0.000   0.001
102        0.000   0.001   0.000   0.001
103        0.000   0.001   0.000   0.001
104        0.000   0.001   0.000   0.001
105        0.000   0.001   0.000   0.001
106        0.005   0.060   0.000   0.065
107        0.000   0.001   0.000   0.001
108        0.000   0.001   0.000   0.001
109        0.005   0.060   0.000   0.065
110        0.000   0.001   0.000   0.001
111        0.000   0.001   0.000   0.001
112        0.007   0.623   0.000   0.630
------------------------------------------------
tot        0.072   1.174   4.346   5.591
 

 total amount of memory used by VASP on root node   286306. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      55456. kBytes
   fftplans  :      15962. kBytes
   grid      :      46623. kBytes
   one-center:        373. kBytes
   wavefun   :     137892. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      322.767
                            User time (sec):      318.844
                          System time (sec):        3.923
                         Elapsed time (sec):      325.096
  
                   Maximum memory used (kb):      493896.
                   Average memory used (kb):           0.
  
                          Minor page faults:       103754
                          Major page faults:            9
                 Voluntary context switches:         7391
