 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Aug 01 2018 12:10:22) complex          
  
 executed on        TETRALITH-B01 date 2021.09.25  12:43:51
 running on   32 total cores
 distrk:  each k-point on   16 cores,    2 groups
 distr:  one band on NCORES_PER_BAND=   8 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE N 08Apr2002                   

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

 POTCAR:    PAW_PBE 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 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 N 08Apr2002                   
   VRHFIN =N: s2p3                                                              
   LEXCH  = PE                                                                  
   EATOM  =   264.5486 eV,   19.4438 Ry                                         
                                                                                
   TITEL  = PAW_PBE N 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   14.001; ZVAL   =    5.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.400; RWIGS  =    0.741    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   =  627.112                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.514    radius for radial grids                                 
   RDEPT  =    1.338    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -384.7179   2.0000                                         
     2  0  0.50       -18.5828   2.0000                                         
     2  1  0.50        -7.0898   3.0000                                         
     3  2  1.50        -6.8029   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -18.5828119     23  1.200                                             
     0    -13.5018863     23  1.200                                             
     1     -7.0897853     23  1.500                                             
     1      9.5240782     23  1.500                                             
     2     -6.8029130      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
 
  PAW_PBE C 08Apr2002                   :
 energy of atom  1       EATOM= -147.1560
 kinetic energy error for atom=    0.0016 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0002 (will be added to EATOM!!)
  PAW_PBE N 08Apr2002                   :
 energy of atom  3       EATOM= -264.5486
 kinetic energy error for atom=    0.0029 (will be added to EATOM!!)
 
 
 POSCAR: findsym-output                          
  positions in direct lattice
  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
 


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


 ion  position               nearest neighbor table
   1  0.075  0.075  0.075-   5 1.10  10 1.48  11 1.48  12 1.48
   2  0.425  0.925  0.575-   6 1.10   9 1.48  11 1.48  12 1.48
   3  0.925  0.575  0.425-   7 1.10   9 1.48  10 1.48  12 1.48
   4  0.575  0.425  0.925-   8 1.10   9 1.48  10 1.48  11 1.48
   5  0.918  0.918  0.918-   1 1.10
   6  0.582  0.082  0.418-   2 1.10
   7  0.082  0.418  0.582-   3 1.10
   8  0.418  0.582  0.082-   4 1.10
   9  0.612  0.612  0.612-   2 1.48   3 1.48   4 1.48
  10  0.888  0.388  0.112-   1 1.48   3 1.48   4 1.48
  11  0.388  0.112  0.888-   1 1.48   2 1.48   4 1.48
  12  0.112  0.888  0.388-   1 1.48   2 1.48   3 1.48
 
  LATTYP: Found a simple cubic cell.
 ALAT       =     4.0272212029
  
  Lattice vectors:
  
 A1 = (   4.0272212029,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0272212029,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.0272212029)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found 12 space group operations
 (whereof  3 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_3 .
 The point group associated with its full space group is T   .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found 12 space group operations
 (whereof  3 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry C_3 .
 The point group associated with its full space group is T   .


 Subroutine INISYM returns: Found 12 space group operations
 (whereof  3 operations are pure point group operations),
 and found     1 'primitive' translations

 
 

Automatic generation of k-mesh.
 generate k-points for:   16   16   16
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
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4     1.000000   180.000000     0.000000     0.000000     1.000000     0.500000     0.000000     0.500000
    5     1.000000   120.000000    -0.577350     0.577350     0.577350     0.500000     0.000000     0.500000
    6     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.500000     0.000000     0.500000
    7     1.000000   120.000000     0.577350    -0.577350     0.577350     0.500000     0.500000     0.000000
    8     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.500000     0.500000     0.000000
    9     1.000000   180.000000     1.000000     0.000000     0.000000     0.500000     0.500000     0.000000
   10     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.500000     0.500000
   11     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.500000     0.500000
   12     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.500000     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    249 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.062500  0.000000  0.000000      6.000000
  0.125000  0.000000  0.000000      6.000000
  0.187500  0.000000  0.000000      6.000000
  0.250000  0.000000  0.000000      6.000000
  0.312500  0.000000  0.000000      6.000000
  0.375000  0.000000  0.000000      6.000000
  0.437500  0.000000  0.000000      6.000000
  0.500000  0.000000  0.000000      3.000000
  0.062500  0.062500  0.000000     12.000000
  0.125000  0.062500  0.000000     12.000000
  0.187500  0.062500  0.000000     12.000000
  0.250000  0.062500  0.000000     12.000000
  0.312500  0.062500  0.000000     12.000000
  0.375000  0.062500  0.000000     12.000000
  0.437500  0.062500  0.000000     12.000000
  0.500000  0.062500  0.000000      6.000000
  0.062500  0.125000  0.000000     12.000000
  0.125000  0.125000  0.000000     12.000000
  0.187500  0.125000  0.000000     12.000000
  0.250000  0.125000  0.000000     12.000000
  0.312500  0.125000  0.000000     12.000000
  0.375000  0.125000  0.000000     12.000000
  0.437500  0.125000  0.000000     12.000000
  0.500000  0.125000  0.000000      6.000000
  0.062500  0.187500  0.000000     12.000000
  0.125000  0.187500  0.000000     12.000000
  0.187500  0.187500  0.000000     12.000000
  0.250000  0.187500  0.000000     12.000000
  0.312500  0.187500  0.000000     12.000000
  0.375000  0.187500  0.000000     12.000000
  0.437500  0.187500  0.000000     12.000000
  0.500000  0.187500  0.000000      6.000000
  0.062500  0.250000  0.000000     12.000000
  0.125000  0.250000  0.000000     12.000000
  0.187500  0.250000  0.000000     12.000000
  0.250000  0.250000  0.000000     12.000000
  0.312500  0.250000  0.000000     12.000000
  0.375000  0.250000  0.000000     12.000000
  0.437500  0.250000  0.000000     12.000000
  0.500000  0.250000  0.000000      6.000000
  0.062500  0.312500  0.000000     12.000000
  0.125000  0.312500  0.000000     12.000000
  0.187500  0.312500  0.000000     12.000000
  0.250000  0.312500  0.000000     12.000000
  0.312500  0.312500  0.000000     12.000000
  0.375000  0.312500  0.000000     12.000000
  0.437500  0.312500  0.000000     12.000000
  0.500000  0.312500  0.000000      6.000000
  0.062500  0.375000  0.000000     12.000000
  0.125000  0.375000  0.000000     12.000000
  0.187500  0.375000  0.000000     12.000000
  0.250000  0.375000  0.000000     12.000000
  0.312500  0.375000  0.000000     12.000000
  0.375000  0.375000  0.000000     12.000000
  0.437500  0.375000  0.000000     12.000000
  0.500000  0.375000  0.000000      6.000000
  0.062500  0.437500  0.000000     12.000000
  0.125000  0.437500  0.000000     12.000000
  0.187500  0.437500  0.000000     12.000000
  0.250000  0.437500  0.000000     12.000000
  0.312500  0.437500  0.000000     12.000000
  0.375000  0.437500  0.000000     12.000000
  0.437500  0.437500  0.000000     12.000000
  0.500000  0.437500  0.000000      6.000000
  0.062500  0.500000  0.000000      6.000000
  0.125000  0.500000  0.000000      6.000000
  0.187500  0.500000  0.000000      6.000000
  0.250000  0.500000  0.000000      6.000000
  0.312500  0.500000  0.000000      6.000000
  0.375000  0.500000  0.000000      6.000000
  0.437500  0.500000  0.000000      6.000000
  0.500000  0.500000  0.000000      3.000000
  0.062500  0.062500  0.062500      8.000000
  0.125000  0.062500  0.062500     24.000000
  0.187500  0.062500  0.062500     24.000000
  0.250000  0.062500  0.062500     24.000000
  0.312500  0.062500  0.062500     24.000000
  0.375000  0.062500  0.062500     24.000000
  0.437500  0.062500  0.062500     24.000000
  0.500000  0.062500  0.062500     12.000000
  0.125000  0.125000  0.062500     24.000000
  0.187500  0.125000  0.062500     24.000000
  0.250000  0.125000  0.062500     24.000000
  0.312500  0.125000  0.062500     24.000000
  0.375000  0.125000  0.062500     24.000000
  0.437500  0.125000  0.062500     24.000000
  0.500000  0.125000  0.062500     12.000000
  0.125000  0.187500  0.062500     24.000000
  0.187500  0.187500  0.062500     24.000000
  0.250000  0.187500  0.062500     24.000000
  0.312500  0.187500  0.062500     24.000000
  0.375000  0.187500  0.062500     24.000000
  0.437500  0.187500  0.062500     24.000000
  0.500000  0.187500  0.062500     12.000000
  0.125000  0.250000  0.062500     24.000000
  0.187500  0.250000  0.062500     24.000000
  0.250000  0.250000  0.062500     24.000000
  0.312500  0.250000  0.062500     24.000000
  0.375000  0.250000  0.062500     24.000000
  0.437500  0.250000  0.062500     24.000000
  0.500000  0.250000  0.062500     12.000000
  0.125000  0.312500  0.062500     24.000000
  0.187500  0.312500  0.062500     24.000000
  0.250000  0.312500  0.062500     24.000000
  0.312500  0.312500  0.062500     24.000000
  0.375000  0.312500  0.062500     24.000000
  0.437500  0.312500  0.062500     24.000000
  0.500000  0.312500  0.062500     12.000000
  0.125000  0.375000  0.062500     24.000000
  0.187500  0.375000  0.062500     24.000000
  0.250000  0.375000  0.062500     24.000000
  0.312500  0.375000  0.062500     24.000000
  0.375000  0.375000  0.062500     24.000000
  0.437500  0.375000  0.062500     24.000000
  0.500000  0.375000  0.062500     12.000000
  0.125000  0.437500  0.062500     24.000000
  0.187500  0.437500  0.062500     24.000000
  0.250000  0.437500  0.062500     24.000000
  0.312500  0.437500  0.062500     24.000000
  0.375000  0.437500  0.062500     24.000000
  0.437500  0.437500  0.062500     24.000000
  0.500000  0.437500  0.062500     12.000000
  0.125000  0.500000  0.062500     12.000000
  0.187500  0.500000  0.062500     12.000000
  0.250000  0.500000  0.062500     12.000000
  0.312500  0.500000  0.062500     12.000000
  0.375000  0.500000  0.062500     12.000000
  0.437500  0.500000  0.062500     12.000000
  0.500000  0.500000  0.062500      6.000000
  0.125000  0.125000  0.125000      8.000000
  0.187500  0.125000  0.125000     24.000000
  0.250000  0.125000  0.125000     24.000000
  0.312500  0.125000  0.125000     24.000000
  0.375000  0.125000  0.125000     24.000000
  0.437500  0.125000  0.125000     24.000000
  0.500000  0.125000  0.125000     12.000000
  0.187500  0.187500  0.125000     24.000000
  0.250000  0.187500  0.125000     24.000000
  0.312500  0.187500  0.125000     24.000000
  0.375000  0.187500  0.125000     24.000000
  0.437500  0.187500  0.125000     24.000000
  0.500000  0.187500  0.125000     12.000000
  0.187500  0.250000  0.125000     24.000000
  0.250000  0.250000  0.125000     24.000000
  0.312500  0.250000  0.125000     24.000000
  0.375000  0.250000  0.125000     24.000000
  0.437500  0.250000  0.125000     24.000000
  0.500000  0.250000  0.125000     12.000000
  0.187500  0.312500  0.125000     24.000000
  0.250000  0.312500  0.125000     24.000000
  0.312500  0.312500  0.125000     24.000000
  0.375000  0.312500  0.125000     24.000000
  0.437500  0.312500  0.125000     24.000000
  0.500000  0.312500  0.125000     12.000000
  0.187500  0.375000  0.125000     24.000000
  0.250000  0.375000  0.125000     24.000000
  0.312500  0.375000  0.125000     24.000000
  0.375000  0.375000  0.125000     24.000000
  0.437500  0.375000  0.125000     24.000000
  0.500000  0.375000  0.125000     12.000000
  0.187500  0.437500  0.125000     24.000000
  0.250000  0.437500  0.125000     24.000000
  0.312500  0.437500  0.125000     24.000000
  0.375000  0.437500  0.125000     24.000000
  0.437500  0.437500  0.125000     24.000000
  0.500000  0.437500  0.125000     12.000000
  0.187500  0.500000  0.125000     12.000000
  0.250000  0.500000  0.125000     12.000000
  0.312500  0.500000  0.125000     12.000000
  0.375000  0.500000  0.125000     12.000000
  0.437500  0.500000  0.125000     12.000000
  0.500000  0.500000  0.125000      6.000000
  0.187500  0.187500  0.187500      8.000000
  0.250000  0.187500  0.187500     24.000000
  0.312500  0.187500  0.187500     24.000000
  0.375000  0.187500  0.187500     24.000000
  0.437500  0.187500  0.187500     24.000000
  0.500000  0.187500  0.187500     12.000000
  0.250000  0.250000  0.187500     24.000000
  0.312500  0.250000  0.187500     24.000000
  0.375000  0.250000  0.187500     24.000000
  0.437500  0.250000  0.187500     24.000000
  0.500000  0.250000  0.187500     12.000000
  0.250000  0.312500  0.187500     24.000000
  0.312500  0.312500  0.187500     24.000000
  0.375000  0.312500  0.187500     24.000000
  0.437500  0.312500  0.187500     24.000000
  0.500000  0.312500  0.187500     12.000000
  0.250000  0.375000  0.187500     24.000000
  0.312500  0.375000  0.187500     24.000000
  0.375000  0.375000  0.187500     24.000000
  0.437500  0.375000  0.187500     24.000000
  0.500000  0.375000  0.187500     12.000000
  0.250000  0.437500  0.187500     24.000000
  0.312500  0.437500  0.187500     24.000000
  0.375000  0.437500  0.187500     24.000000
  0.437500  0.437500  0.187500     24.000000
  0.500000  0.437500  0.187500     12.000000
  0.250000  0.500000  0.187500     12.000000
  0.312500  0.500000  0.187500     12.000000
  0.375000  0.500000  0.187500     12.000000
  0.437500  0.500000  0.187500     12.000000
  0.500000  0.500000  0.187500      6.000000
  0.250000  0.250000  0.250000      8.000000
  0.312500  0.250000  0.250000     24.000000
  0.375000  0.250000  0.250000     24.000000
  0.437500  0.250000  0.250000     24.000000
  0.500000  0.250000  0.250000     12.000000
  0.312500  0.312500  0.250000     24.000000
  0.375000  0.312500  0.250000     24.000000
  0.437500  0.312500  0.250000     24.000000
  0.500000  0.312500  0.250000     12.000000
  0.312500  0.375000  0.250000     24.000000
  0.375000  0.375000  0.250000     24.000000
  0.437500  0.375000  0.250000     24.000000
  0.500000  0.375000  0.250000     12.000000
  0.312500  0.437500  0.250000     24.000000
  0.375000  0.437500  0.250000     24.000000
  0.437500  0.437500  0.250000     24.000000
  0.500000  0.437500  0.250000     12.000000
  0.312500  0.500000  0.250000     12.000000
  0.375000  0.500000  0.250000     12.000000
  0.437500  0.500000  0.250000     12.000000
  0.500000  0.500000  0.250000      6.000000
  0.312500  0.312500  0.312500      8.000000
  0.375000  0.312500  0.312500     24.000000
  0.437500  0.312500  0.312500     24.000000
  0.500000  0.312500  0.312500     12.000000
  0.375000  0.375000  0.312500     24.000000
  0.437500  0.375000  0.312500     24.000000
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  0.437500  0.437500  0.312500     24.000000
  0.500000  0.437500  0.312500     12.000000
  0.375000  0.500000  0.312500     12.000000
  0.437500  0.500000  0.312500     12.000000
  0.500000  0.500000  0.312500      6.000000
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  0.437500  0.375000  0.375000     24.000000
  0.500000  0.375000  0.375000     12.000000
  0.437500  0.437500  0.375000     24.000000
  0.500000  0.437500  0.375000     12.000000
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  0.437500  0.437500  0.437500      8.000000
  0.500000  0.437500  0.437500     12.000000
  0.500000  0.500000  0.437500      6.000000
  0.500000  0.500000  0.500000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
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  0.031039  0.000000  0.000000      6.000000
  0.046558  0.000000  0.000000      6.000000
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  0.093116  0.000000  0.000000      6.000000
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  0.124155  0.000000  0.000000      3.000000
  0.015519  0.015519  0.000000     12.000000
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  0.093116  0.015519  0.000000     12.000000
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  0.031039  0.031039  0.000000     12.000000
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  0.062078  0.031039  0.000000     12.000000
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    249   k-points in BZ     NKDIM =    249   number of bands    NBANDS=     28
   number of dos      NEDOS =    301   number of ions     NIONS =     12
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  64000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  12256
   dimension x,y,z NGX =    40 NGY =   40 NGZ =   40
   dimension x,y,z NGXF=    80 NGYF=   80 NGZF=   80
   support grid    NGXF=    80 NGYF=   80 NGZF=   80
   ions per type =               4   4   4
   NGX,Y,Z   is equivalent  to a cutoff of  16.51, 16.51, 16.51 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  33.02, 33.02, 33.02 a.u.

 SYSTEM =  local optimisation                      
 POSCAR =  findsym-output                          

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      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  =  800.0 eV  58.80 Ry    7.67 a.u.   9.29  9.29  9.29*2*pi/ulx,y,z
   ENINI  =  800.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-07   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
 Ionic relaxation
   EDIFFG = 0.1E-06   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   =      3    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    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=  -0.371E-27a.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 =  12.01  1.00 14.00
  Ionic Valenz
   ZVAL   =   4.00  1.00  5.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00
   NELECT =      40.0000    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  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.89E-10  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       5.44        36.73
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.390239  2.627170 26.296842  1.932763
  Thomas-Fermi vector in A             =   2.514193
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

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



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            8
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.01


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


  energy-cutoff  :      800.00
  volume of cell :       65.32
      direct lattice vectors                 reciprocal lattice vectors
     4.027221203  0.000000000  0.000000000     0.248310175  0.000000000  0.000000000
     0.000000000  4.027221203  0.000000000     0.000000000  0.248310175  0.000000000
     0.000000000  0.000000000  4.027221203     0.000000000  0.000000000  0.248310175

  length of vectors
     4.027221203  4.027221203  4.027221203     0.248310175  0.248310175  0.248310175


 
 k-points in units of 2pi/SCALE and weight: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.000
   0.01551939  0.00000000  0.00000000       0.001
   0.03103877  0.00000000  0.00000000       0.001
   0.04655816  0.00000000  0.00000000       0.001
   0.06207754  0.00000000  0.00000000       0.001
   0.07759693  0.00000000  0.00000000       0.001
   0.09311632  0.00000000  0.00000000       0.001
   0.10863570  0.00000000  0.00000000       0.001
   0.12415509  0.00000000  0.00000000       0.001
   0.01551939  0.01551939  0.00000000       0.003
   0.03103877  0.01551939  0.00000000       0.003
   0.04655816  0.01551939  0.00000000       0.003
   0.06207754  0.01551939  0.00000000       0.003
   0.07759693  0.01551939  0.00000000       0.003
   0.09311632  0.01551939  0.00000000       0.003
   0.10863570  0.01551939  0.00000000       0.003
   0.12415509  0.01551939  0.00000000       0.001
   0.01551939  0.03103877  0.00000000       0.003
   0.03103877  0.03103877  0.00000000       0.003
   0.04655816  0.03103877  0.00000000       0.003
   0.06207754  0.03103877  0.00000000       0.003
   0.07759693  0.03103877  0.00000000       0.003
   0.09311632  0.03103877  0.00000000       0.003
   0.10863570  0.03103877  0.00000000       0.003
   0.12415509  0.03103877  0.00000000       0.001
   0.01551939  0.04655816  0.00000000       0.003
   0.03103877  0.04655816  0.00000000       0.003
   0.04655816  0.04655816  0.00000000       0.003
   0.06207754  0.04655816  0.00000000       0.003
   0.07759693  0.04655816  0.00000000       0.003
   0.09311632  0.04655816  0.00000000       0.003
   0.10863570  0.04655816  0.00000000       0.003
   0.12415509  0.04655816  0.00000000       0.001
   0.01551939  0.06207754  0.00000000       0.003
   0.03103877  0.06207754  0.00000000       0.003
   0.04655816  0.06207754  0.00000000       0.003
   0.06207754  0.06207754  0.00000000       0.003
   0.07759693  0.06207754  0.00000000       0.003
   0.09311632  0.06207754  0.00000000       0.003
   0.10863570  0.06207754  0.00000000       0.003
   0.12415509  0.06207754  0.00000000       0.001
   0.01551939  0.07759693  0.00000000       0.003
   0.03103877  0.07759693  0.00000000       0.003
   0.04655816  0.07759693  0.00000000       0.003
   0.06207754  0.07759693  0.00000000       0.003
   0.07759693  0.07759693  0.00000000       0.003
   0.09311632  0.07759693  0.00000000       0.003
   0.10863570  0.07759693  0.00000000       0.003
   0.12415509  0.07759693  0.00000000       0.001
   0.01551939  0.09311632  0.00000000       0.003
   0.03103877  0.09311632  0.00000000       0.003
   0.04655816  0.09311632  0.00000000       0.003
   0.06207754  0.09311632  0.00000000       0.003
   0.07759693  0.09311632  0.00000000       0.003
   0.09311632  0.09311632  0.00000000       0.003
   0.10863570  0.09311632  0.00000000       0.003
   0.12415509  0.09311632  0.00000000       0.001
   0.01551939  0.10863570  0.00000000       0.003
   0.03103877  0.10863570  0.00000000       0.003
   0.04655816  0.10863570  0.00000000       0.003
   0.06207754  0.10863570  0.00000000       0.003
   0.07759693  0.10863570  0.00000000       0.003
   0.09311632  0.10863570  0.00000000       0.003
   0.10863570  0.10863570  0.00000000       0.003
   0.12415509  0.10863570  0.00000000       0.001
   0.01551939  0.12415509  0.00000000       0.001
   0.03103877  0.12415509  0.00000000       0.001
   0.04655816  0.12415509  0.00000000       0.001
   0.06207754  0.12415509  0.00000000       0.001
   0.07759693  0.12415509  0.00000000       0.001
   0.09311632  0.12415509  0.00000000       0.001
   0.10863570  0.12415509  0.00000000       0.001
   0.12415509  0.12415509  0.00000000       0.001
   0.01551939  0.01551939  0.01551939       0.002
   0.03103877  0.01551939  0.01551939       0.006
   0.04655816  0.01551939  0.01551939       0.006
   0.06207754  0.01551939  0.01551939       0.006
   0.07759693  0.01551939  0.01551939       0.006
   0.09311632  0.01551939  0.01551939       0.006
   0.10863570  0.01551939  0.01551939       0.006
   0.12415509  0.01551939  0.01551939       0.003
   0.03103877  0.03103877  0.01551939       0.006
   0.04655816  0.03103877  0.01551939       0.006
   0.06207754  0.03103877  0.01551939       0.006
   0.07759693  0.03103877  0.01551939       0.006
   0.09311632  0.03103877  0.01551939       0.006
   0.10863570  0.03103877  0.01551939       0.006
   0.12415509  0.03103877  0.01551939       0.003
   0.03103877  0.04655816  0.01551939       0.006
   0.04655816  0.04655816  0.01551939       0.006
   0.06207754  0.04655816  0.01551939       0.006
   0.07759693  0.04655816  0.01551939       0.006
   0.09311632  0.04655816  0.01551939       0.006
   0.10863570  0.04655816  0.01551939       0.006
   0.12415509  0.04655816  0.01551939       0.003
   0.03103877  0.06207754  0.01551939       0.006
   0.04655816  0.06207754  0.01551939       0.006
   0.06207754  0.06207754  0.01551939       0.006
   0.07759693  0.06207754  0.01551939       0.006
   0.09311632  0.06207754  0.01551939       0.006
   0.10863570  0.06207754  0.01551939       0.006
   0.12415509  0.06207754  0.01551939       0.003
   0.03103877  0.07759693  0.01551939       0.006
   0.04655816  0.07759693  0.01551939       0.006
   0.06207754  0.07759693  0.01551939       0.006
   0.07759693  0.07759693  0.01551939       0.006
   0.09311632  0.07759693  0.01551939       0.006
   0.10863570  0.07759693  0.01551939       0.006
   0.12415509  0.07759693  0.01551939       0.003
   0.03103877  0.09311632  0.01551939       0.006
   0.04655816  0.09311632  0.01551939       0.006
   0.06207754  0.09311632  0.01551939       0.006
   0.07759693  0.09311632  0.01551939       0.006
   0.09311632  0.09311632  0.01551939       0.006
   0.10863570  0.09311632  0.01551939       0.006
   0.12415509  0.09311632  0.01551939       0.003
   0.03103877  0.10863570  0.01551939       0.006
   0.04655816  0.10863570  0.01551939       0.006
   0.06207754  0.10863570  0.01551939       0.006
   0.07759693  0.10863570  0.01551939       0.006
   0.09311632  0.10863570  0.01551939       0.006
   0.10863570  0.10863570  0.01551939       0.006
   0.12415509  0.10863570  0.01551939       0.003
   0.03103877  0.12415509  0.01551939       0.003
   0.04655816  0.12415509  0.01551939       0.003
   0.06207754  0.12415509  0.01551939       0.003
   0.07759693  0.12415509  0.01551939       0.003
   0.09311632  0.12415509  0.01551939       0.003
   0.10863570  0.12415509  0.01551939       0.003
   0.12415509  0.12415509  0.01551939       0.001
   0.03103877  0.03103877  0.03103877       0.002
   0.04655816  0.03103877  0.03103877       0.006
   0.06207754  0.03103877  0.03103877       0.006
   0.07759693  0.03103877  0.03103877       0.006
   0.09311632  0.03103877  0.03103877       0.006
   0.10863570  0.03103877  0.03103877       0.006
   0.12415509  0.03103877  0.03103877       0.003
   0.04655816  0.04655816  0.03103877       0.006
   0.06207754  0.04655816  0.03103877       0.006
   0.07759693  0.04655816  0.03103877       0.006
   0.09311632  0.04655816  0.03103877       0.006
   0.10863570  0.04655816  0.03103877       0.006
   0.12415509  0.04655816  0.03103877       0.003
   0.04655816  0.06207754  0.03103877       0.006
   0.06207754  0.06207754  0.03103877       0.006
   0.07759693  0.06207754  0.03103877       0.006
   0.09311632  0.06207754  0.03103877       0.006
   0.10863570  0.06207754  0.03103877       0.006
   0.12415509  0.06207754  0.03103877       0.003
   0.04655816  0.07759693  0.03103877       0.006
   0.06207754  0.07759693  0.03103877       0.006
   0.07759693  0.07759693  0.03103877       0.006
   0.09311632  0.07759693  0.03103877       0.006
   0.10863570  0.07759693  0.03103877       0.006
   0.12415509  0.07759693  0.03103877       0.003
   0.04655816  0.09311632  0.03103877       0.006
   0.06207754  0.09311632  0.03103877       0.006
   0.07759693  0.09311632  0.03103877       0.006
   0.09311632  0.09311632  0.03103877       0.006
   0.10863570  0.09311632  0.03103877       0.006
   0.12415509  0.09311632  0.03103877       0.003
   0.04655816  0.10863570  0.03103877       0.006
   0.06207754  0.10863570  0.03103877       0.006
   0.07759693  0.10863570  0.03103877       0.006
   0.09311632  0.10863570  0.03103877       0.006
   0.10863570  0.10863570  0.03103877       0.006
   0.12415509  0.10863570  0.03103877       0.003
   0.04655816  0.12415509  0.03103877       0.003
   0.06207754  0.12415509  0.03103877       0.003
   0.07759693  0.12415509  0.03103877       0.003
   0.09311632  0.12415509  0.03103877       0.003
   0.10863570  0.12415509  0.03103877       0.003
   0.12415509  0.12415509  0.03103877       0.001
   0.04655816  0.04655816  0.04655816       0.002
   0.06207754  0.04655816  0.04655816       0.006
   0.07759693  0.04655816  0.04655816       0.006
   0.09311632  0.04655816  0.04655816       0.006
   0.10863570  0.04655816  0.04655816       0.006
   0.12415509  0.04655816  0.04655816       0.003
   0.06207754  0.06207754  0.04655816       0.006
   0.07759693  0.06207754  0.04655816       0.006
   0.09311632  0.06207754  0.04655816       0.006
   0.10863570  0.06207754  0.04655816       0.006
   0.12415509  0.06207754  0.04655816       0.003
   0.06207754  0.07759693  0.04655816       0.006
   0.07759693  0.07759693  0.04655816       0.006
   0.09311632  0.07759693  0.04655816       0.006
   0.10863570  0.07759693  0.04655816       0.006
   0.12415509  0.07759693  0.04655816       0.003
   0.06207754  0.09311632  0.04655816       0.006
   0.07759693  0.09311632  0.04655816       0.006
   0.09311632  0.09311632  0.04655816       0.006
   0.10863570  0.09311632  0.04655816       0.006
   0.12415509  0.09311632  0.04655816       0.003
   0.06207754  0.10863570  0.04655816       0.006
   0.07759693  0.10863570  0.04655816       0.006
   0.09311632  0.10863570  0.04655816       0.006
   0.10863570  0.10863570  0.04655816       0.006
   0.12415509  0.10863570  0.04655816       0.003
   0.06207754  0.12415509  0.04655816       0.003
   0.07759693  0.12415509  0.04655816       0.003
   0.09311632  0.12415509  0.04655816       0.003
   0.10863570  0.12415509  0.04655816       0.003
   0.12415509  0.12415509  0.04655816       0.001
   0.06207754  0.06207754  0.06207754       0.002
   0.07759693  0.06207754  0.06207754       0.006
   0.09311632  0.06207754  0.06207754       0.006
   0.10863570  0.06207754  0.06207754       0.006
   0.12415509  0.06207754  0.06207754       0.003
   0.07759693  0.07759693  0.06207754       0.006
   0.09311632  0.07759693  0.06207754       0.006
   0.10863570  0.07759693  0.06207754       0.006
   0.12415509  0.07759693  0.06207754       0.003
   0.07759693  0.09311632  0.06207754       0.006
   0.09311632  0.09311632  0.06207754       0.006
   0.10863570  0.09311632  0.06207754       0.006
   0.12415509  0.09311632  0.06207754       0.003
   0.07759693  0.10863570  0.06207754       0.006
   0.09311632  0.10863570  0.06207754       0.006
   0.10863570  0.10863570  0.06207754       0.006
   0.12415509  0.10863570  0.06207754       0.003
   0.07759693  0.12415509  0.06207754       0.003
   0.09311632  0.12415509  0.06207754       0.003
   0.10863570  0.12415509  0.06207754       0.003
   0.12415509  0.12415509  0.06207754       0.001
   0.07759693  0.07759693  0.07759693       0.002
   0.09311632  0.07759693  0.07759693       0.006
   0.10863570  0.07759693  0.07759693       0.006
   0.12415509  0.07759693  0.07759693       0.003
   0.09311632  0.09311632  0.07759693       0.006
   0.10863570  0.09311632  0.07759693       0.006
   0.12415509  0.09311632  0.07759693       0.003
   0.09311632  0.10863570  0.07759693       0.006
   0.10863570  0.10863570  0.07759693       0.006
   0.12415509  0.10863570  0.07759693       0.003
   0.09311632  0.12415509  0.07759693       0.003
   0.10863570  0.12415509  0.07759693       0.003
   0.12415509  0.12415509  0.07759693       0.001
   0.09311632  0.09311632  0.09311632       0.002
   0.10863570  0.09311632  0.09311632       0.006
   0.12415509  0.09311632  0.09311632       0.003
   0.10863570  0.10863570  0.09311632       0.006
   0.12415509  0.10863570  0.09311632       0.003
   0.10863570  0.12415509  0.09311632       0.003
   0.12415509  0.12415509  0.09311632       0.001
   0.10863570  0.10863570  0.10863570       0.002
   0.12415509  0.10863570  0.10863570       0.003
   0.12415509  0.12415509  0.10863570       0.001
   0.12415509  0.12415509  0.12415509       0.000
 
 k-points in reciprocal lattice and weights: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.000
   0.06250000  0.00000000  0.00000000       0.001
   0.12500000  0.00000000  0.00000000       0.001
   0.18750000  0.00000000  0.00000000       0.001
   0.25000000  0.00000000  0.00000000       0.001
   0.31250000  0.00000000  0.00000000       0.001
   0.37500000  0.00000000  0.00000000       0.001
   0.43750000  0.00000000  0.00000000       0.001
   0.50000000  0.00000000  0.00000000       0.001
   0.06250000  0.06250000  0.00000000       0.003
   0.12500000  0.06250000  0.00000000       0.003
   0.18750000  0.06250000  0.00000000       0.003
   0.25000000  0.06250000  0.00000000       0.003
   0.31250000  0.06250000  0.00000000       0.003
   0.37500000  0.06250000  0.00000000       0.003
   0.43750000  0.06250000  0.00000000       0.003
   0.50000000  0.06250000  0.00000000       0.001
   0.06250000  0.12500000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.003
   0.18750000  0.12500000  0.00000000       0.003
   0.25000000  0.12500000  0.00000000       0.003
   0.31250000  0.12500000  0.00000000       0.003
   0.37500000  0.12500000  0.00000000       0.003
   0.43750000  0.12500000  0.00000000       0.003
   0.50000000  0.12500000  0.00000000       0.001
   0.06250000  0.18750000  0.00000000       0.003
   0.12500000  0.18750000  0.00000000       0.003
   0.18750000  0.18750000  0.00000000       0.003
   0.25000000  0.18750000  0.00000000       0.003
   0.31250000  0.18750000  0.00000000       0.003
   0.37500000  0.18750000  0.00000000       0.003
   0.43750000  0.18750000  0.00000000       0.003
   0.50000000  0.18750000  0.00000000       0.001
   0.06250000  0.25000000  0.00000000       0.003
   0.12500000  0.25000000  0.00000000       0.003
   0.18750000  0.25000000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.003
   0.31250000  0.25000000  0.00000000       0.003
   0.37500000  0.25000000  0.00000000       0.003
   0.43750000  0.25000000  0.00000000       0.003
   0.50000000  0.25000000  0.00000000       0.001
   0.06250000  0.31250000  0.00000000       0.003
   0.12500000  0.31250000  0.00000000       0.003
   0.18750000  0.31250000  0.00000000       0.003
   0.25000000  0.31250000  0.00000000       0.003
   0.31250000  0.31250000  0.00000000       0.003
   0.37500000  0.31250000  0.00000000       0.003
   0.43750000  0.31250000  0.00000000       0.003
   0.50000000  0.31250000  0.00000000       0.001
   0.06250000  0.37500000  0.00000000       0.003
   0.12500000  0.37500000  0.00000000       0.003
   0.18750000  0.37500000  0.00000000       0.003
   0.25000000  0.37500000  0.00000000       0.003
   0.31250000  0.37500000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.003
   0.43750000  0.37500000  0.00000000       0.003
   0.50000000  0.37500000  0.00000000       0.001
   0.06250000  0.43750000  0.00000000       0.003
   0.12500000  0.43750000  0.00000000       0.003
   0.18750000  0.43750000  0.00000000       0.003
   0.25000000  0.43750000  0.00000000       0.003
   0.31250000  0.43750000  0.00000000       0.003
   0.37500000  0.43750000  0.00000000       0.003
   0.43750000  0.43750000  0.00000000       0.003
   0.50000000  0.43750000  0.00000000       0.001
   0.06250000  0.50000000  0.00000000       0.001
   0.12500000  0.50000000  0.00000000       0.001
   0.18750000  0.50000000  0.00000000       0.001
   0.25000000  0.50000000  0.00000000       0.001
   0.31250000  0.50000000  0.00000000       0.001
   0.37500000  0.50000000  0.00000000       0.001
   0.43750000  0.50000000  0.00000000       0.001
   0.50000000  0.50000000  0.00000000       0.001
   0.06250000  0.06250000  0.06250000       0.002
   0.12500000  0.06250000  0.06250000       0.006
   0.18750000  0.06250000  0.06250000       0.006
   0.25000000  0.06250000  0.06250000       0.006
   0.31250000  0.06250000  0.06250000       0.006
   0.37500000  0.06250000  0.06250000       0.006
   0.43750000  0.06250000  0.06250000       0.006
   0.50000000  0.06250000  0.06250000       0.003
   0.12500000  0.12500000  0.06250000       0.006
   0.18750000  0.12500000  0.06250000       0.006
   0.25000000  0.12500000  0.06250000       0.006
   0.31250000  0.12500000  0.06250000       0.006
   0.37500000  0.12500000  0.06250000       0.006
   0.43750000  0.12500000  0.06250000       0.006
   0.50000000  0.12500000  0.06250000       0.003
   0.12500000  0.18750000  0.06250000       0.006
   0.18750000  0.18750000  0.06250000       0.006
   0.25000000  0.18750000  0.06250000       0.006
   0.31250000  0.18750000  0.06250000       0.006
   0.37500000  0.18750000  0.06250000       0.006
   0.43750000  0.18750000  0.06250000       0.006
   0.50000000  0.18750000  0.06250000       0.003
   0.12500000  0.25000000  0.06250000       0.006
   0.18750000  0.25000000  0.06250000       0.006
   0.25000000  0.25000000  0.06250000       0.006
   0.31250000  0.25000000  0.06250000       0.006
   0.37500000  0.25000000  0.06250000       0.006
   0.43750000  0.25000000  0.06250000       0.006
   0.50000000  0.25000000  0.06250000       0.003
   0.12500000  0.31250000  0.06250000       0.006
   0.18750000  0.31250000  0.06250000       0.006
   0.25000000  0.31250000  0.06250000       0.006
   0.31250000  0.31250000  0.06250000       0.006
   0.37500000  0.31250000  0.06250000       0.006
   0.43750000  0.31250000  0.06250000       0.006
   0.50000000  0.31250000  0.06250000       0.003
   0.12500000  0.37500000  0.06250000       0.006
   0.18750000  0.37500000  0.06250000       0.006
   0.25000000  0.37500000  0.06250000       0.006
   0.31250000  0.37500000  0.06250000       0.006
   0.37500000  0.37500000  0.06250000       0.006
   0.43750000  0.37500000  0.06250000       0.006
   0.50000000  0.37500000  0.06250000       0.003
   0.12500000  0.43750000  0.06250000       0.006
   0.18750000  0.43750000  0.06250000       0.006
   0.25000000  0.43750000  0.06250000       0.006
   0.31250000  0.43750000  0.06250000       0.006
   0.37500000  0.43750000  0.06250000       0.006
   0.43750000  0.43750000  0.06250000       0.006
   0.50000000  0.43750000  0.06250000       0.003
   0.12500000  0.50000000  0.06250000       0.003
   0.18750000  0.50000000  0.06250000       0.003
   0.25000000  0.50000000  0.06250000       0.003
   0.31250000  0.50000000  0.06250000       0.003
   0.37500000  0.50000000  0.06250000       0.003
   0.43750000  0.50000000  0.06250000       0.003
   0.50000000  0.50000000  0.06250000       0.001
   0.12500000  0.12500000  0.12500000       0.002
   0.18750000  0.12500000  0.12500000       0.006
   0.25000000  0.12500000  0.12500000       0.006
   0.31250000  0.12500000  0.12500000       0.006
   0.37500000  0.12500000  0.12500000       0.006
   0.43750000  0.12500000  0.12500000       0.006
   0.50000000  0.12500000  0.12500000       0.003
   0.18750000  0.18750000  0.12500000       0.006
   0.25000000  0.18750000  0.12500000       0.006
   0.31250000  0.18750000  0.12500000       0.006
   0.37500000  0.18750000  0.12500000       0.006
   0.43750000  0.18750000  0.12500000       0.006
   0.50000000  0.18750000  0.12500000       0.003
   0.18750000  0.25000000  0.12500000       0.006
   0.25000000  0.25000000  0.12500000       0.006
   0.31250000  0.25000000  0.12500000       0.006
   0.37500000  0.25000000  0.12500000       0.006
   0.43750000  0.25000000  0.12500000       0.006
   0.50000000  0.25000000  0.12500000       0.003
   0.18750000  0.31250000  0.12500000       0.006
   0.25000000  0.31250000  0.12500000       0.006
   0.31250000  0.31250000  0.12500000       0.006
   0.37500000  0.31250000  0.12500000       0.006
   0.43750000  0.31250000  0.12500000       0.006
   0.50000000  0.31250000  0.12500000       0.003
   0.18750000  0.37500000  0.12500000       0.006
   0.25000000  0.37500000  0.12500000       0.006
   0.31250000  0.37500000  0.12500000       0.006
   0.37500000  0.37500000  0.12500000       0.006
   0.43750000  0.37500000  0.12500000       0.006
   0.50000000  0.37500000  0.12500000       0.003
   0.18750000  0.43750000  0.12500000       0.006
   0.25000000  0.43750000  0.12500000       0.006
   0.31250000  0.43750000  0.12500000       0.006
   0.37500000  0.43750000  0.12500000       0.006
   0.43750000  0.43750000  0.12500000       0.006
   0.50000000  0.43750000  0.12500000       0.003
   0.18750000  0.50000000  0.12500000       0.003
   0.25000000  0.50000000  0.12500000       0.003
   0.31250000  0.50000000  0.12500000       0.003
   0.37500000  0.50000000  0.12500000       0.003
   0.43750000  0.50000000  0.12500000       0.003
   0.50000000  0.50000000  0.12500000       0.001
   0.18750000  0.18750000  0.18750000       0.002
   0.25000000  0.18750000  0.18750000       0.006
   0.31250000  0.18750000  0.18750000       0.006
   0.37500000  0.18750000  0.18750000       0.006
   0.43750000  0.18750000  0.18750000       0.006
   0.50000000  0.18750000  0.18750000       0.003
   0.25000000  0.25000000  0.18750000       0.006
   0.31250000  0.25000000  0.18750000       0.006
   0.37500000  0.25000000  0.18750000       0.006
   0.43750000  0.25000000  0.18750000       0.006
   0.50000000  0.25000000  0.18750000       0.003
   0.25000000  0.31250000  0.18750000       0.006
   0.31250000  0.31250000  0.18750000       0.006
   0.37500000  0.31250000  0.18750000       0.006
   0.43750000  0.31250000  0.18750000       0.006
   0.50000000  0.31250000  0.18750000       0.003
   0.25000000  0.37500000  0.18750000       0.006
   0.31250000  0.37500000  0.18750000       0.006
   0.37500000  0.37500000  0.18750000       0.006
   0.43750000  0.37500000  0.18750000       0.006
   0.50000000  0.37500000  0.18750000       0.003
   0.25000000  0.43750000  0.18750000       0.006
   0.31250000  0.43750000  0.18750000       0.006
   0.37500000  0.43750000  0.18750000       0.006
   0.43750000  0.43750000  0.18750000       0.006
   0.50000000  0.43750000  0.18750000       0.003
   0.25000000  0.50000000  0.18750000       0.003
   0.31250000  0.50000000  0.18750000       0.003
   0.37500000  0.50000000  0.18750000       0.003
   0.43750000  0.50000000  0.18750000       0.003
   0.50000000  0.50000000  0.18750000       0.001
   0.25000000  0.25000000  0.25000000       0.002
   0.31250000  0.25000000  0.25000000       0.006
   0.37500000  0.25000000  0.25000000       0.006
   0.43750000  0.25000000  0.25000000       0.006
   0.50000000  0.25000000  0.25000000       0.003
   0.31250000  0.31250000  0.25000000       0.006
   0.37500000  0.31250000  0.25000000       0.006
   0.43750000  0.31250000  0.25000000       0.006
   0.50000000  0.31250000  0.25000000       0.003
   0.31250000  0.37500000  0.25000000       0.006
   0.37500000  0.37500000  0.25000000       0.006
   0.43750000  0.37500000  0.25000000       0.006
   0.50000000  0.37500000  0.25000000       0.003
   0.31250000  0.43750000  0.25000000       0.006
   0.37500000  0.43750000  0.25000000       0.006
   0.43750000  0.43750000  0.25000000       0.006
   0.50000000  0.43750000  0.25000000       0.003
   0.31250000  0.50000000  0.25000000       0.003
   0.37500000  0.50000000  0.25000000       0.003
   0.43750000  0.50000000  0.25000000       0.003
   0.50000000  0.50000000  0.25000000       0.001
   0.31250000  0.31250000  0.31250000       0.002
   0.37500000  0.31250000  0.31250000       0.006
   0.43750000  0.31250000  0.31250000       0.006
   0.50000000  0.31250000  0.31250000       0.003
   0.37500000  0.37500000  0.31250000       0.006
   0.43750000  0.37500000  0.31250000       0.006
   0.50000000  0.37500000  0.31250000       0.003
   0.37500000  0.43750000  0.31250000       0.006
   0.43750000  0.43750000  0.31250000       0.006
   0.50000000  0.43750000  0.31250000       0.003
   0.37500000  0.50000000  0.31250000       0.003
   0.43750000  0.50000000  0.31250000       0.003
   0.50000000  0.50000000  0.31250000       0.001
   0.37500000  0.37500000  0.37500000       0.002
   0.43750000  0.37500000  0.37500000       0.006
   0.50000000  0.37500000  0.37500000       0.003
   0.43750000  0.43750000  0.37500000       0.006
   0.50000000  0.43750000  0.37500000       0.003
   0.43750000  0.50000000  0.37500000       0.003
   0.50000000  0.50000000  0.37500000       0.001
   0.43750000  0.43750000  0.43750000       0.002
   0.50000000  0.43750000  0.43750000       0.003
   0.50000000  0.50000000  0.43750000       0.001
   0.50000000  0.50000000  0.50000000       0.000
 
 position of ions in fractional coordinates (direct lattice) 
   0.07479000  0.07479000  0.07479000
   0.42521000  0.92521000  0.57479000
   0.92521000  0.57479000  0.42521000
   0.57479000  0.42521000  0.92521000
   0.91773999  0.91773999  0.91773999
   0.58226001  0.08226000  0.41773999
   0.08226000  0.41773999  0.58226001
   0.41773999  0.58226001  0.08226000
   0.61183000  0.61183000  0.61183000
   0.88817000  0.38817000  0.11183000
   0.38817000  0.11183000  0.88817000
   0.11183000  0.88817000  0.38817000
 
 position of ions in cartesian coordinates  (Angst):
   0.30119588  0.30119588  0.30119588
   1.71241472  3.72602533  2.31480648
   3.72602533  2.31480648  1.71241472
   2.31480648  1.71241472  3.72602533
   3.69594193  3.69594193  3.69594193
   2.34488987  0.33127921  1.68233133
   0.33127921  1.68233133  2.34488987
   1.68233133  2.34488987  0.33127921
   2.46397473  2.46397473  2.46397473
   3.57685707  1.56324647  0.45036413
   1.56324647  0.45036413  3.57685707
   0.45036413  3.57685707  1.56324647
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    3407
 k-point  2 :   0.0625 0.0000 0.0000  plane waves:    3371
 k-point  3 :   0.1250 0.0000 0.0000  plane waves:    3335
 k-point  4 :   0.1875 0.0000 0.0000  plane waves:    3347
 k-point  5 :   0.2500 0.0000 0.0000  plane waves:    3367
 k-point  6 :   0.3125 0.0000 0.0000  plane waves:    3370
 k-point  7 :   0.3750 0.0000 0.0000  plane waves:    3358
 k-point  8 :   0.4375 0.0000 0.0000  plane waves:    3370
 k-point  9 :   0.5000 0.0000 0.0000  plane waves:    3394
 k-point 10 :   0.0625 0.0625 0.0000  plane waves:    3357
 k-point 11 :   0.1250 0.0625 0.0000  plane waves:    3338
 k-point 12 :   0.1875 0.0625 0.0000  plane waves:    3344
 k-point 13 :   0.2500 0.0625 0.0000  plane waves:    3363
 k-point 14 :   0.3125 0.0625 0.0000  plane waves:    3374
 k-point 15 :   0.3750 0.0625 0.0000  plane waves:    3361
 k-point 16 :   0.4375 0.0625 0.0000  plane waves:    3367
 k-point 17 :   0.5000 0.0625 0.0000  plane waves:    3380
 k-point 18 :   0.0625 0.1250 0.0000  plane waves:    3338
 k-point 19 :   0.1250 0.1250 0.0000  plane waves:    3339
 k-point 20 :   0.1875 0.1250 0.0000  plane waves:    3350
 k-point 21 :   0.2500 0.1250 0.0000  plane waves:    3352
 k-point 22 :   0.3125 0.1250 0.0000  plane waves:    3365
 k-point 23 :   0.3750 0.1250 0.0000  plane waves:    3364
 k-point 24 :   0.4375 0.1250 0.0000  plane waves:    3362
 k-point 25 :   0.5000 0.1250 0.0000  plane waves:    3362
 k-point 26 :   0.0625 0.1875 0.0000  plane waves:    3344
 k-point 27 :   0.1250 0.1875 0.0000  plane waves:    3350
 k-point 28 :   0.1875 0.1875 0.0000  plane waves:    3353
 k-point 29 :   0.2500 0.1875 0.0000  plane waves:    3355
 k-point 30 :   0.3125 0.1875 0.0000  plane waves:    3362
 k-point 31 :   0.3750 0.1875 0.0000  plane waves:    3358
 k-point 32 :   0.4375 0.1875 0.0000  plane waves:    3365
 k-point 33 :   0.5000 0.1875 0.0000  plane waves:    3360
 k-point 34 :   0.0625 0.2500 0.0000  plane waves:    3363
 k-point 35 :   0.1250 0.2500 0.0000  plane waves:    3352
 k-point 36 :   0.1875 0.2500 0.0000  plane waves:    3355
 k-point 37 :   0.2500 0.2500 0.0000  plane waves:    3353
 k-point 38 :   0.3125 0.2500 0.0000  plane waves:    3355
 k-point 39 :   0.3750 0.2500 0.0000  plane waves:    3364
 k-point 40 :   0.4375 0.2500 0.0000  plane waves:    3359
 k-point 41 :   0.5000 0.2500 0.0000  plane waves:    3344
 k-point 42 :   0.0625 0.3125 0.0000  plane waves:    3374
 k-point 43 :   0.1250 0.3125 0.0000  plane waves:    3365
 k-point 44 :   0.1875 0.3125 0.0000  plane waves:    3362
 k-point 45 :   0.2500 0.3125 0.0000  plane waves:    3355
 k-point 46 :   0.3125 0.3125 0.0000  plane waves:    3359
 k-point 47 :   0.3750 0.3125 0.0000  plane waves:    3355
 k-point 48 :   0.4375 0.3125 0.0000  plane waves:    3352
 k-point 49 :   0.5000 0.3125 0.0000  plane waves:    3356
 k-point 50 :   0.0625 0.3750 0.0000  plane waves:    3361
 k-point 51 :   0.1250 0.3750 0.0000  plane waves:    3364
 k-point 52 :   0.1875 0.3750 0.0000  plane waves:    3358
 k-point 53 :   0.2500 0.3750 0.0000  plane waves:    3364
 k-point 54 :   0.3125 0.3750 0.0000  plane waves:    3355
 k-point 55 :   0.3750 0.3750 0.0000  plane waves:    3353
 k-point 56 :   0.4375 0.3750 0.0000  plane waves:    3359
 k-point 57 :   0.5000 0.3750 0.0000  plane waves:    3354
 k-point 58 :   0.0625 0.4375 0.0000  plane waves:    3367
 k-point 59 :   0.1250 0.4375 0.0000  plane waves:    3362
 k-point 60 :   0.1875 0.4375 0.0000  plane waves:    3365
 k-point 61 :   0.2500 0.4375 0.0000  plane waves:    3359
 k-point 62 :   0.3125 0.4375 0.0000  plane waves:    3352
 k-point 63 :   0.3750 0.4375 0.0000  plane waves:    3359
 k-point 64 :   0.4375 0.4375 0.0000  plane waves:    3364
 k-point 65 :   0.5000 0.4375 0.0000  plane waves:    3352
 k-point 66 :   0.0625 0.5000 0.0000  plane waves:    3380
 k-point 67 :   0.1250 0.5000 0.0000  plane waves:    3362
 k-point 68 :   0.1875 0.5000 0.0000  plane waves:    3360
 k-point 69 :   0.2500 0.5000 0.0000  plane waves:    3344
 k-point 70 :   0.3125 0.5000 0.0000  plane waves:    3356
 k-point 71 :   0.3750 0.5000 0.0000  plane waves:    3354
 k-point 72 :   0.4375 0.5000 0.0000  plane waves:    3352
 k-point 73 :   0.5000 0.5000 0.0000  plane waves:    3348
 k-point 74 :   0.0625 0.0625 0.0625  plane waves:    3344
 k-point 75 :   0.1250 0.0625 0.0625  plane waves:    3336
 k-point 76 :   0.1875 0.0625 0.0625  plane waves:    3341
 k-point 77 :   0.2500 0.0625 0.0625  plane waves:    3355
 k-point 78 :   0.3125 0.0625 0.0625  plane waves:    3370
 k-point 79 :   0.3750 0.0625 0.0625  plane waves:    3360
 k-point 80 :   0.4375 0.0625 0.0625  plane waves:    3368
 k-point 81 :   0.5000 0.0625 0.0625  plane waves:    3374
 k-point 82 :   0.1250 0.1250 0.0625  plane waves:    3343
 k-point 83 :   0.1875 0.1250 0.0625  plane waves:    3350
 k-point 84 :   0.2500 0.1250 0.0625  plane waves:    3357
 k-point 85 :   0.3125 0.1250 0.0625  plane waves:    3367
 k-point 86 :   0.3750 0.1250 0.0625  plane waves:    3361
 k-point 87 :   0.4375 0.1250 0.0625  plane waves:    3366
 k-point 88 :   0.5000 0.1250 0.0625  plane waves:    3358
 k-point 89 :   0.1250 0.1875 0.0625  plane waves:    3350
 k-point 90 :   0.1875 0.1875 0.0625  plane waves:    3355
 k-point 91 :   0.2500 0.1875 0.0625  plane waves:    3358
 k-point 92 :   0.3125 0.1875 0.0625  plane waves:    3349
 k-point 93 :   0.3750 0.1875 0.0625  plane waves:    3355
 k-point 94 :   0.4375 0.1875 0.0625  plane waves:    3364
 k-point 95 :   0.5000 0.1875 0.0625  plane waves:    3364
 k-point 96 :   0.1250 0.2500 0.0625  plane waves:    3357
 k-point 97 :   0.1875 0.2500 0.0625  plane waves:    3358
 k-point 98 :   0.2500 0.2500 0.0625  plane waves:    3360
 k-point 99 :   0.3125 0.2500 0.0625  plane waves:    3351
 k-point ** :   0.3750 0.2500 0.0625  plane waves:    3357
 k-point ** :   0.4375 0.2500 0.0625  plane waves:    3364
 k-point ** :   0.5000 0.2500 0.0625  plane waves:    3358
 k-point ** :   0.1250 0.3125 0.0625  plane waves:    3367
 k-point ** :   0.1875 0.3125 0.0625  plane waves:    3349
 k-point ** :   0.2500 0.3125 0.0625  plane waves:    3351
 k-point ** :   0.3125 0.3125 0.0625  plane waves:    3352
 k-point ** :   0.3750 0.3125 0.0625  plane waves:    3361
 k-point ** :   0.4375 0.3125 0.0625  plane waves:    3354
 k-point ** :   0.5000 0.3125 0.0625  plane waves:    3362
 k-point ** :   0.1250 0.3750 0.0625  plane waves:    3361
 k-point ** :   0.1875 0.3750 0.0625  plane waves:    3355
 k-point ** :   0.2500 0.3750 0.0625  plane waves:    3357
 k-point ** :   0.3125 0.3750 0.0625  plane waves:    3361
 k-point ** :   0.3750 0.3750 0.0625  plane waves:    3359
 k-point ** :   0.4375 0.3750 0.0625  plane waves:    3358
 k-point ** :   0.5000 0.3750 0.0625  plane waves:    3348
 k-point ** :   0.1250 0.4375 0.0625  plane waves:    3366
 k-point ** :   0.1875 0.4375 0.0625  plane waves:    3364
 k-point ** :   0.2500 0.4375 0.0625  plane waves:    3364
 k-point ** :   0.3125 0.4375 0.0625  plane waves:    3354
 k-point ** :   0.3750 0.4375 0.0625  plane waves:    3358
 k-point ** :   0.4375 0.4375 0.0625  plane waves:    3350
 k-point ** :   0.5000 0.4375 0.0625  plane waves:    3352
 k-point ** :   0.1250 0.5000 0.0625  plane waves:    3358
 k-point ** :   0.1875 0.5000 0.0625  plane waves:    3364
 k-point ** :   0.2500 0.5000 0.0625  plane waves:    3358
 k-point ** :   0.3125 0.5000 0.0625  plane waves:    3362
 k-point ** :   0.3750 0.5000 0.0625  plane waves:    3348
 k-point ** :   0.4375 0.5000 0.0625  plane waves:    3352
 k-point ** :   0.5000 0.5000 0.0625  plane waves:    3352
 k-point ** :   0.1250 0.1250 0.1250  plane waves:    3350
 k-point ** :   0.1875 0.1250 0.1250  plane waves:    3355
 k-point ** :   0.2500 0.1250 0.1250  plane waves:    3348
 k-point ** :   0.3125 0.1250 0.1250  plane waves:    3365
 k-point ** :   0.3750 0.1250 0.1250  plane waves:    3363
 k-point ** :   0.4375 0.1250 0.1250  plane waves:    3367
 k-point ** :   0.5000 0.1250 0.1250  plane waves:    3360
 k-point ** :   0.1875 0.1875 0.1250  plane waves:    3366
 k-point ** :   0.2500 0.1875 0.1250  plane waves:    3353
 k-point ** :   0.3125 0.1875 0.1250  plane waves:    3347
 k-point ** :   0.3750 0.1875 0.1250  plane waves:    3361
 k-point ** :   0.4375 0.1875 0.1250  plane waves:    3362
 k-point ** :   0.5000 0.1875 0.1250  plane waves:    3364
 k-point ** :   0.1875 0.2500 0.1250  plane waves:    3353
 k-point ** :   0.2500 0.2500 0.1250  plane waves:    3347
 k-point ** :   0.3125 0.2500 0.1250  plane waves:    3353
 k-point ** :   0.3750 0.2500 0.1250  plane waves:    3357
 k-point ** :   0.4375 0.2500 0.1250  plane waves:    3352
 k-point ** :   0.5000 0.2500 0.1250  plane waves:    3350
 k-point ** :   0.1875 0.3125 0.1250  plane waves:    3347
 k-point ** :   0.2500 0.3125 0.1250  plane waves:    3353
 k-point ** :   0.3125 0.3125 0.1250  plane waves:    3357
 k-point ** :   0.3750 0.3125 0.1250  plane waves:    3365
 k-point ** :   0.4375 0.3125 0.1250  plane waves:    3359
 k-point ** :   0.5000 0.3125 0.1250  plane waves:    3354
 k-point ** :   0.1875 0.3750 0.1250  plane waves:    3361
 k-point ** :   0.2500 0.3750 0.1250  plane waves:    3357
 k-point ** :   0.3125 0.3750 0.1250  plane waves:    3365
 k-point ** :   0.3750 0.3750 0.1250  plane waves:    3355
 k-point ** :   0.4375 0.3750 0.1250  plane waves:    3360
 k-point ** :   0.5000 0.3750 0.1250  plane waves:    3356
 k-point ** :   0.1875 0.4375 0.1250  plane waves:    3362
 k-point ** :   0.2500 0.4375 0.1250  plane waves:    3352
 k-point ** :   0.3125 0.4375 0.1250  plane waves:    3359
 k-point ** :   0.3750 0.4375 0.1250  plane waves:    3360
 k-point ** :   0.4375 0.4375 0.1250  plane waves:    3352
 k-point ** :   0.5000 0.4375 0.1250  plane waves:    3352
 k-point ** :   0.1875 0.5000 0.1250  plane waves:    3364
 k-point ** :   0.2500 0.5000 0.1250  plane waves:    3350
 k-point ** :   0.3125 0.5000 0.1250  plane waves:    3354
 k-point ** :   0.3750 0.5000 0.1250  plane waves:    3356
 k-point ** :   0.4375 0.5000 0.1250  plane waves:    3352
 k-point ** :   0.5000 0.5000 0.1250  plane waves:    3340
 k-point ** :   0.1875 0.1875 0.1875  plane waves:    3362
 k-point ** :   0.2500 0.1875 0.1875  plane waves:    3368
 k-point ** :   0.3125 0.1875 0.1875  plane waves:    3352
 k-point ** :   0.3750 0.1875 0.1875  plane waves:    3366
 k-point ** :   0.4375 0.1875 0.1875  plane waves:    3361
 k-point ** :   0.5000 0.1875 0.1875  plane waves:    3354
 k-point ** :   0.2500 0.2500 0.1875  plane waves:    3350
 k-point ** :   0.3125 0.2500 0.1875  plane waves:    3352
 k-point ** :   0.3750 0.2500 0.1875  plane waves:    3362
 k-point ** :   0.4375 0.2500 0.1875  plane waves:    3355
 k-point ** :   0.5000 0.2500 0.1875  plane waves:    3358
 k-point ** :   0.2500 0.3125 0.1875  plane waves:    3352
 k-point ** :   0.3125 0.3125 0.1875  plane waves:    3357
 k-point ** :   0.3750 0.3125 0.1875  plane waves:    3351
 k-point ** :   0.4375 0.3125 0.1875  plane waves:    3354
 k-point ** :   0.5000 0.3125 0.1875  plane waves:    3356
 k-point ** :   0.2500 0.3750 0.1875  plane waves:    3362
 k-point ** :   0.3125 0.3750 0.1875  plane waves:    3351
 k-point ** :   0.3750 0.3750 0.1875  plane waves:    3349
 k-point ** :   0.4375 0.3750 0.1875  plane waves:    3353
 k-point ** :   0.5000 0.3750 0.1875  plane waves:    3350
 k-point ** :   0.2500 0.4375 0.1875  plane waves:    3355
 k-point ** :   0.3125 0.4375 0.1875  plane waves:    3354
 k-point ** :   0.3750 0.4375 0.1875  plane waves:    3353
 k-point ** :   0.4375 0.4375 0.1875  plane waves:    3346
 k-point ** :   0.5000 0.4375 0.1875  plane waves:    3352
 k-point ** :   0.2500 0.5000 0.1875  plane waves:    3358
 k-point ** :   0.3125 0.5000 0.1875  plane waves:    3356
 k-point ** :   0.3750 0.5000 0.1875  plane waves:    3350
 k-point ** :   0.4375 0.5000 0.1875  plane waves:    3352
 k-point ** :   0.5000 0.5000 0.1875  plane waves:    3352
 k-point ** :   0.2500 0.2500 0.2500  plane waves:    3377
 k-point ** :   0.3125 0.2500 0.2500  plane waves:    3355
 k-point ** :   0.3750 0.2500 0.2500  plane waves:    3345
 k-point ** :   0.4375 0.2500 0.2500  plane waves:    3351
 k-point ** :   0.5000 0.2500 0.2500  plane waves:    3342
 k-point ** :   0.3125 0.3125 0.2500  plane waves:    3356
 k-point ** :   0.3750 0.3125 0.2500  plane waves:    3345
 k-point ** :   0.4375 0.3125 0.2500  plane waves:    3355
 k-point ** :   0.5000 0.3125 0.2500  plane waves:    3350
 k-point ** :   0.3125 0.3750 0.2500  plane waves:    3345
 k-point ** :   0.3750 0.3750 0.2500  plane waves:    3344
 k-point ** :   0.4375 0.3750 0.2500  plane waves:    3348
 k-point ** :   0.5000 0.3750 0.2500  plane waves:    3358
 k-point ** :   0.3125 0.4375 0.2500  plane waves:    3355
 k-point ** :   0.3750 0.4375 0.2500  plane waves:    3348
 k-point ** :   0.4375 0.4375 0.2500  plane waves:    3348
 k-point ** :   0.5000 0.4375 0.2500  plane waves:    3360
 k-point ** :   0.3125 0.5000 0.2500  plane waves:    3350
 k-point ** :   0.3750 0.5000 0.2500  plane waves:    3358
 k-point ** :   0.4375 0.5000 0.2500  plane waves:    3360
 k-point ** :   0.5000 0.5000 0.2500  plane waves:    3348
 k-point ** :   0.3125 0.3125 0.3125  plane waves:    3332
 k-point ** :   0.3750 0.3125 0.3125  plane waves:    3346
 k-point ** :   0.4375 0.3125 0.3125  plane waves:    3342
 k-point ** :   0.5000 0.3125 0.3125  plane waves:    3348
 k-point ** :   0.3750 0.3750 0.3125  plane waves:    3350
 k-point ** :   0.4375 0.3750 0.3125  plane waves:    3346
 k-point ** :   0.5000 0.3750 0.3125  plane waves:    3350
 k-point ** :   0.3750 0.4375 0.3125  plane waves:    3346
 k-point ** :   0.4375 0.4375 0.3125  plane waves:    3348
 k-point ** :   0.5000 0.4375 0.3125  plane waves:    3350
 k-point ** :   0.3750 0.5000 0.3125  plane waves:    3350
 k-point ** :   0.4375 0.5000 0.3125  plane waves:    3350
 k-point ** :   0.5000 0.5000 0.3125  plane waves:    3360
 k-point ** :   0.3750 0.3750 0.3750  plane waves:    3346
 k-point ** :   0.4375 0.3750 0.3750  plane waves:    3355
 k-point ** :   0.5000 0.3750 0.3750  plane waves:    3348
 k-point ** :   0.4375 0.4375 0.3750  plane waves:    3340
 k-point ** :   0.5000 0.4375 0.3750  plane waves:    3348
 k-point ** :   0.4375 0.5000 0.3750  plane waves:    3348
 k-point ** :   0.5000 0.5000 0.3750  plane waves:    3340
 k-point ** :   0.4375 0.4375 0.4375  plane waves:    3343
 k-point ** :   0.5000 0.4375 0.4375  plane waves:    3376
 k-point ** :   0.5000 0.5000 0.4375  plane waves:    3360
 k-point ** :   0.5000 0.5000 0.5000  plane waves:    3328

 maximum and minimum number of plane-waves per node :       446      401

 maximum number of plane-waves:      3407
 maximum index in each direction: 
   IXMAX=    9   IYMAX=    9   IZMAX=    9
   IXMIN=   -9   IYMIN=   -9   IZMIN=   -9


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


 total amount of memory used by VASP MPI-rank0    80521. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      21216. kBytes
   fftplans  :       1345. kBytes
   grid      :       2409. kBytes
   one-center:          6. kBytes
   wavefun   :      25545. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 19   NGY = 19   NGZ = 19
  (NGX  = 80   NGY  = 80   NGZ  = 80)
  gives a total of   6859 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      40.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          842 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.440
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0015: real time    0.0015


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


    POTLOK:  cpu time    0.0217: real time    0.0283
    SETDIJ:  cpu time    0.0009: real time    0.0010
     EDDAV:  cpu time    1.8466: real time    1.8549
       DOS:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time    1.8728: real time    1.8878

 eigenvalue-minimisations  : 13944
 total energy-change (2. order) : 0.2141204E+03  (-0.2771416E+04)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -310.41653685
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.33233410
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00006186
  eigenvalues    EBANDS =       116.19575931
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       214.12039789 eV

  energy without entropy =      214.12045975  energy(sigma->0) =      214.12042882


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




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


     EDDAV:  cpu time    2.1668: real time    2.1736
       DOS:  cpu time    0.0012: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    2.1680: real time    2.1748

 eigenvalue-minimisations  : 17416
 total energy-change (2. order) :-0.2833280E+03  (-0.2744175E+03)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -310.41653685
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.33233410
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -167.13230370
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -69.20760326 eV

  energy without entropy =      -69.20760326  energy(sigma->0) =      -69.20760326


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




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


     EDDAV:  cpu time    2.4860: real time    2.4936
       DOS:  cpu time    0.0013: real time    0.0013
    --------------------------------------------
      LOOP:  cpu time    2.4872: real time    2.4948

 eigenvalue-minimisations  : 19544
 total energy-change (2. order) :-0.1510971E+02  (-0.1502493E+02)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -310.41653685
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.33233410
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -182.24201077
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -84.31731034 eV

  energy without entropy =      -84.31731034  energy(sigma->0) =      -84.31731034


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




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


     EDDAV:  cpu time    2.2796: real time    2.2864
       DOS:  cpu time    0.0012: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    2.2808: real time    2.2876

 eigenvalue-minimisations  : 18704
 total energy-change (2. order) :-0.1834877E+00  (-0.1829938E+00)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -310.41653685
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.33233410
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -182.42549843
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -84.50079800 eV

  energy without entropy =      -84.50079800  energy(sigma->0) =      -84.50079800


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




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


     EDDAV:  cpu time    2.3075: real time    2.3142
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1196: real time    0.1205
    MIXING:  cpu time    0.0013: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time    2.4298: real time    2.4380

 eigenvalue-minimisations  : 18788
 total energy-change (2. order) :-0.4033389E-02  (-0.4029522E-02)
 number of electron      39.9999999 magnetization 
 augmentation part        1.5831149 magnetization 

 Broyden mixing:
  rms(total) = 0.14082E+01    rms(broyden)= 0.14082E+01
  rms(prec ) = 0.26737E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -310.41653685
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       146.33233410
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -182.42953182
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -84.50483138 eV

  energy without entropy =      -84.50483138  energy(sigma->0) =      -84.50483138


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




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


    POTLOK:  cpu time    0.0142: real time    0.0144
    SETDIJ:  cpu time    0.0015: real time    0.0015
     EDDAV:  cpu time    2.1855: real time    2.1919
       DOS:  cpu time    0.0014: real time    0.0014
    CHARGE:  cpu time    0.1174: real time    0.1178
    MIXING:  cpu time    0.0013: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time    2.3213: real time    2.3284

 eigenvalue-minimisations  : 17828
 total energy-change (2. order) : 0.2855961E+01  (-0.5043068E+00)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4626237 magnetization 

 Broyden mixing:
  rms(total) = 0.74600E+00    rms(broyden)= 0.74600E+00
  rms(prec ) = 0.12558E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6756
  1.6756

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -342.14826908
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       148.77355407
  PAW double counting   =      1970.83286320    -1978.70827961
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -149.48471299
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.64887048 eV

  energy without entropy =      -81.64887048  energy(sigma->0) =      -81.64887048


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




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


    POTLOK:  cpu time    0.0136: real time    0.0138
    SETDIJ:  cpu time    0.0014: real time    0.0014
     EDDAV:  cpu time    2.2748: real time    2.2812
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1174: real time    0.1177
    MIXING:  cpu time    0.0011: real time    0.0011
    --------------------------------------------
      LOOP:  cpu time    2.4095: real time    2.4165

 eigenvalue-minimisations  : 18620
 total energy-change (2. order) : 0.5517274E+00  (-0.1039645E+00)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4301163 magnetization 

 Broyden mixing:
  rms(total) = 0.32830E+00    rms(broyden)= 0.32830E+00
  rms(prec ) = 0.47122E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8850
  1.2342  2.5359

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -361.24427423
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.40168470
  PAW double counting   =      2816.95587988    -2825.39519793
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -130.90120942
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.09714307 eV

  energy without entropy =      -81.09714307  energy(sigma->0) =      -81.09714307


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




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


    POTLOK:  cpu time    0.0138: real time    0.0141
    SETDIJ:  cpu time    0.0013: real time    0.0013
     EDDAV:  cpu time    2.2602: real time    2.2666
       DOS:  cpu time    0.0014: real time    0.0014
    CHARGE:  cpu time    0.1191: real time    0.1194
    MIXING:  cpu time    0.0012: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    2.3970: real time    2.4039

 eigenvalue-minimisations  : 18516
 total energy-change (2. order) : 0.2930931E-01  (-0.1638546E-01)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4312624 magnetization 

 Broyden mixing:
  rms(total) = 0.70029E-01    rms(broyden)= 0.70028E-01
  rms(prec ) = 0.10960E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6758
  2.4012  1.2958  1.3305

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.60494240
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.04682809
  PAW double counting   =      3429.91865991    -3438.59915953
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.91519376
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06783376 eV

  energy without entropy =      -81.06783376  energy(sigma->0) =      -81.06783376


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




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


    POTLOK:  cpu time    0.0143: real time    0.0145
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time    2.1196: real time    2.1259
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1162: real time    0.1165
    MIXING:  cpu time    0.0025: real time    0.0025
    --------------------------------------------
      LOOP:  cpu time    2.2546: real time    2.2615

 eigenvalue-minimisations  : 17120
 total energy-change (2. order) : 0.1378955E-02  (-0.2858553E-02)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4288382 magnetization 

 Broyden mixing:
  rms(total) = 0.24676E-01    rms(broyden)= 0.24676E-01
  rms(prec ) = 0.38259E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6278
  2.5381  1.0947  1.0947  1.7837

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.24601675
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.02409926
  PAW double counting   =      3473.61853114    -3482.27545382
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -125.27358856
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06645481 eV

  energy without entropy =      -81.06645481  energy(sigma->0) =      -81.06645481


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




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


    POTLOK:  cpu time    0.0136: real time    0.0139
    SETDIJ:  cpu time    0.0052: real time    0.0052
     EDDAV:  cpu time    2.1963: real time    2.2025
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1166: real time    0.1169
    MIXING:  cpu time    0.0014: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time    2.3344: real time    2.3412

 eigenvalue-minimisations  : 17796
 total energy-change (2. order) :-0.2645262E-03  (-0.1548837E-03)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4296038 magnetization 

 Broyden mixing:
  rms(total) = 0.60635E-02    rms(broyden)= 0.60635E-02
  rms(prec ) = 0.10166E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5773
  2.4576  1.0344  1.7471  1.3237  1.3237

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.49900135
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05454166
  PAW double counting   =      3522.72903674    -3531.39170827
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -125.04556205
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06671933 eV

  energy without entropy =      -81.06671933  energy(sigma->0) =      -81.06671933


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




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


    POTLOK:  cpu time    0.0134: real time    0.0136
    SETDIJ:  cpu time    0.0022: real time    0.0022
     EDDAV:  cpu time    2.0744: real time    2.0807
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1174: real time    0.1179
    MIXING:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    2.2097: real time    2.2167

 eigenvalue-minimisations  : 16644
 total energy-change (2. order) :-0.1020670E-03  (-0.5154605E-04)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4301100 magnetization 

 Broyden mixing:
  rms(total) = 0.39819E-02    rms(broyden)= 0.39819E-02
  rms(prec ) = 0.78936E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6627
  2.6398  2.3610  1.8436  1.0617  1.0350  1.0350

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.52024453
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05313716
  PAW double counting   =      3517.22732339    -3525.88596727
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -125.02704408
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682140 eV

  energy without entropy =      -81.06682140  energy(sigma->0) =      -81.06682140


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




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


    POTLOK:  cpu time    0.0135: real time    0.0137
    SETDIJ:  cpu time    0.0014: real time    0.0014
     EDDAV:  cpu time    2.2466: real time    2.2530
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1175: real time    0.1178
    MIXING:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    2.3813: real time    2.3882

 eigenvalue-minimisations  : 18368
 total energy-change (2. order) :-0.1102312E-05  (-0.1181535E-04)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4296479 magnetization 

 Broyden mixing:
  rms(total) = 0.13348E-02    rms(broyden)= 0.13348E-02
  rms(prec ) = 0.17409E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6275
  2.6985  2.3020  1.7555  1.5201  1.1030  1.1030  0.9102

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.62087985
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.06026720
  PAW double counting   =      3517.19244296    -3525.85010398
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.93452277
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682250 eV

  energy without entropy =      -81.06682250  energy(sigma->0) =      -81.06682250


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




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


    POTLOK:  cpu time    0.0134: real time    0.0137
    SETDIJ:  cpu time    0.0015: real time    0.0015
     EDDAV:  cpu time    2.1756: real time    2.1820
       DOS:  cpu time    0.0012: real time    0.0012
    CHARGE:  cpu time    0.1180: real time    0.1183
    MIXING:  cpu time    0.0010: real time    0.0010
    --------------------------------------------
      LOOP:  cpu time    2.3108: real time    2.3178

 eigenvalue-minimisations  : 17772
 total energy-change (2. order) :-0.4101471E-05  (-0.1562447E-05)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297095 magnetization 

 Broyden mixing:
  rms(total) = 0.38850E-03    rms(broyden)= 0.38850E-03
  rms(prec ) = 0.62549E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6601
  2.9430  2.5112  1.8107  1.8107  1.1917  0.9463  1.0334  1.0334

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.61051354
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05963569
  PAW double counting   =      3515.98577845    -3524.64208345
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94561767
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682660 eV

  energy without entropy =      -81.06682660  energy(sigma->0) =      -81.06682660


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




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


    POTLOK:  cpu time    0.0134: real time    0.0136
    SETDIJ:  cpu time    0.0015: real time    0.0015
     EDDAV:  cpu time    2.3216: real time    2.3282
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1185: real time    0.1187
    MIXING:  cpu time    0.0012: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    2.4573: real time    2.4645

 eigenvalue-minimisations  : 19000
 total energy-change (2. order) :-0.3628313E-06  (-0.5133313E-07)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297080 magnetization 

 Broyden mixing:
  rms(total) = 0.34826E-03    rms(broyden)= 0.34826E-03
  rms(prec ) = 0.61891E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6781
  2.9414  2.5931  1.9045  1.9045  1.6017  1.0933  1.0933  0.9975  0.9734

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.61094972
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05962915
  PAW double counting   =      3515.42533150    -3524.08152048
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94529134
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682697 eV

  energy without entropy =      -81.06682697  energy(sigma->0) =      -81.06682697


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




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


    POTLOK:  cpu time    0.0142: real time    0.0144
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time    2.1829: real time    2.1894
       DOS:  cpu time    0.0014: real time    0.0014
    CHARGE:  cpu time    0.1185: real time    0.1189
    MIXING:  cpu time    0.0011: real time    0.0011
    --------------------------------------------
      LOOP:  cpu time    2.3189: real time    2.3260

 eigenvalue-minimisations  : 17820
 total energy-change (2. order) : 0.2460597E-06  (-0.7804285E-07)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297383 magnetization 

 Broyden mixing:
  rms(total) = 0.64513E-04    rms(broyden)= 0.64512E-04
  rms(prec ) = 0.94564E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6574
  2.9516  2.5447  2.5447  1.9006  1.5522  1.0774  1.0774  1.0216  1.0216  0.8819

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.60971974
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05951271
  PAW double counting   =      3515.35911154    -3524.01549856
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94620661
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682672 eV

  energy without entropy =      -81.06682672  energy(sigma->0) =      -81.06682672


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




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


    POTLOK:  cpu time    0.0135: real time    0.0138
    SETDIJ:  cpu time    0.0013: real time    0.0013
     EDDAV:  cpu time    2.0464: real time    2.0522
       DOS:  cpu time    0.0013: real time    0.0013
    CHARGE:  cpu time    0.1176: real time    0.1179
    MIXING:  cpu time    0.0016: real time    0.0018
    --------------------------------------------
      LOOP:  cpu time    2.1817: real time    2.1882

 eigenvalue-minimisations  : 16508
 total energy-change (2. order) : 0.5549532E-07  (-0.5354599E-08)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297358 magnetization 

 Broyden mixing:
  rms(total) = 0.60275E-04    rms(broyden)= 0.60274E-04
  rms(prec ) = 0.84601E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6192
  2.9725  2.5101  2.5101  1.6822  1.6822  1.1781  1.1781  1.0856  1.0856  1.0189
  0.9081

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.60993389
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05954817
  PAW double counting   =      3515.43726366    -3524.09370750
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94597104
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682667 eV

  energy without entropy =      -81.06682667  energy(sigma->0) =      -81.06682667


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




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


    POTLOK:  cpu time    0.0134: real time    0.0136
    SETDIJ:  cpu time    0.0016: real time    0.0016
     EDDAV:  cpu time    1.4448: real time    1.4489
       DOS:  cpu time    0.0015: real time    0.0015
    CHARGE:  cpu time    0.1197: real time    0.1203
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time    1.5827: real time    1.5876

 eigenvalue-minimisations  :  9516
 total energy-change (2. order) :-0.2543584E-07  (-0.4053455E-09)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297324 magnetization 

 Broyden mixing:
  rms(total) = 0.17215E-04    rms(broyden)= 0.17215E-04
  rms(prec ) = 0.28019E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6716
  2.9823  2.5105  2.5105  2.3091  1.9170  1.5712  1.0998  1.0998  1.0981  1.0981
  0.9035  0.9590

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.61038349
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05958023
  PAW double counting   =      3515.42076851    -3524.07719011
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94557576
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682669 eV

  energy without entropy =      -81.06682669  energy(sigma->0) =      -81.06682669


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




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


    POTLOK:  cpu time    0.0133: real time    0.0135
    SETDIJ:  cpu time    0.0025: real time    0.0025
     EDDAV:  cpu time    1.4237: real time    1.4277
       DOS:  cpu time    0.0013: real time    0.0013
    --------------------------------------------
      LOOP:  cpu time    1.4408: real time    1.4450

 eigenvalue-minimisations  :  9420
 total energy-change (2. order) :-0.9138148E-08  (-0.4355163E-09)
 number of electron      39.9999999 magnetization 
 augmentation part        1.4297324 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       109.06329349
  Ewald energy   TEWEN  =     -1536.73055211
  -Hartree energ DENC   =      -367.61036896
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       151.05957833
  PAW double counting   =      3515.42891474    -3524.08531902
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -124.94560573
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -81.06682670 eV

  energy without entropy =      -81.06682670  energy(sigma->0) =      -81.06682670


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089
  (the norm of the test charge is              1.0000)
       1 -50.3642       2 -50.3642       3 -50.3642       4 -50.3642       5 -32.0560
       6 -32.0560       7 -32.0560       8 -32.0560       9 -63.1392      10 -63.1392
      11 -63.1392      12 -63.1392
 
 
 
 E-fermi :   6.4826     XC(G=0): -11.8211     alpha+bet :-13.1497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.9125      2.00000
      2     -11.5418      2.00000
      3     -11.5418      2.00000
      4     -11.5418      2.00000
      5      -6.0358      2.00000
      6      -6.0358      2.00000
      7      -6.0358      2.00000
      8      -3.6704      2.00000
      9      -3.6704      2.00000
     10      -3.6704      2.00000
     11      -2.1056      2.00000
     12      -2.1056      2.00000
     13      -0.1985      2.00000
     14       1.0115      2.00000
     15       1.0115      2.00000
     16       1.0115      2.00000
     17       3.7390      2.00000
     18       3.7390      2.00000
     19       3.7390      2.00000
     20       6.3656      2.00000
     21      11.0178      0.00000
     22      11.0178      0.00000
     23      11.0178      0.00000
     24      12.9700      0.00000
     25      13.7847      0.00000
     26      13.7847      0.00000
     27      13.7847      0.00000
     28      14.9229      0.00000

 k-point     2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.8896      2.00000
      2     -11.9018      2.00000
      3     -11.5211      2.00000
      4     -11.2040      2.00000
      5      -6.4736      2.00000
      6      -6.0828      2.00000
      7      -5.6007      2.00000
      8      -3.9366      2.00000
      9      -3.6691      2.00000
     10      -3.3422      2.00000
     11      -2.1301      2.00000
     12      -2.0694      2.00000
     13      -0.2473      2.00000
     14       0.9514      2.00000
     15       1.0282      2.00000
     16       1.0559      2.00000
     17       3.6518      2.00000
     18       3.7733      2.00000
     19       3.8120      2.00000
     20       6.3434      2.00000
     21      10.6075      0.00000
     22      11.0680      0.00000
     23      11.5083      0.00000
     24      12.8998      0.00000
     25      13.8218      0.00000
     26      13.8721      0.00000
     27      13.8982      0.00000
     28      14.9094      0.00000

 k-point     3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.8213      2.00000
      2     -12.2788      2.00000
      3     -11.4592      2.00000
      4     -10.8934      2.00000
      5      -6.8961      2.00000
      6      -6.2175      2.00000
      7      -5.1997      2.00000
      8      -4.1024      2.00000
      9      -3.6666      2.00000
     10      -2.9819      2.00000
     11      -2.2045      2.00000
     12      -1.9687      2.00000
     13      -0.3567      2.00000
     14       0.8475      2.00000
     15       1.0510      2.00000
     16       1.1105      2.00000
     17       3.5491      2.00000
     18       3.8673      2.00000
     19       3.8849      2.00000
     20       6.2769      2.00000
     21      10.2916      0.00000
     22      11.2202      0.00000
     23      12.0626      0.00000
     24      12.7404      0.00000
     25      13.9578      0.00000
     26      14.0930      0.00000
     27      14.1709      0.00000
     28      14.8675      0.00000

 k-point     4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.7082      2.00000
      2     -12.6672      2.00000
      3     -11.3577      2.00000
      4     -10.6179      2.00000
      5      -7.2859      2.00000
      6      -6.4236      2.00000
      7      -4.9017      2.00000
      8      -4.1005      2.00000
      9      -3.6701      2.00000
     10      -2.6175      2.00000
     11      -2.3247      2.00000
     12      -1.8232      2.00000
     13      -0.4632      2.00000
     14       0.6945      2.00000
     15       1.0424      2.00000
     16       1.1735      2.00000
     17       3.4466      2.00000
     18       3.9782      2.00000
     19       3.9920      2.00000
     20       6.1692      2.00000
     21      10.0819      0.00000
     22      11.4767      0.00000
     23      12.5281      0.00000
     24      12.6608      0.00000
     25      14.1639      0.00000
     26      14.4285      0.00000
     27      14.5177      0.00000
     28      14.8044      0.00000

 k-point     5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.5514      2.00000
      2     -13.0600      2.00000
      3     -11.2191      2.00000
      4     -10.3927      2.00000
      5      -7.6186      2.00000
      6      -6.6797      2.00000
      7      -4.7593      2.00000
      8      -3.8896      2.00000
      9      -3.6969      2.00000
     10      -2.4685      2.00000
     11      -2.2752      2.00000
     12      -1.6571      2.00000
     13      -0.5320      2.00000
     14       0.5025      2.00000
     15       0.9993      2.00000
     16       1.2230      2.00000
     17       3.3750      2.00000
     18       4.0993      2.00000
     19       4.1116      2.00000
     20       6.0271      2.00000
     21       9.9871      0.00000
     22      11.8353      0.00000
     23      12.2537      0.00000
     24      13.2755      0.00000
     25      14.4010      0.00000
     26      14.6526      0.00000
     27      14.8405      0.00000
     28      14.9823      0.00000

 k-point     6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.3526      2.00000
      2     -13.4497      2.00000
      3     -11.0478      2.00000
      4     -10.2437      2.00000
      5      -7.8590      2.00000
      6      -6.9643      2.00000
      7      -4.6797      2.00000
      8      -3.7715      2.00000
      9      -3.5820      2.00000
     10      -2.5998      2.00000
     11      -1.9755      2.00000
     12      -1.4978      2.00000
     13      -0.5584      2.00000
     14       0.2873      2.00000
     15       0.9475      2.00000
     16       1.2320      2.00000
     17       3.3680      2.00000
     18       4.1397      2.00000
     19       4.2991      2.00000
     20       5.8568      2.00000
     21      10.0107      0.00000
     22      11.9037      0.00000
     23      12.2948      0.00000
     24      13.8634      0.00000
     25      14.5682      0.00000
     26      14.6064      0.00000
     27      15.2725      0.00000
     28      15.4162      0.00000

 k-point     7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1     -15.1138      2.00000
      2     -13.8290      2.00000
      3     -10.8509      2.00000
      4     -10.2022      2.00000
      5      -7.9677      2.00000
      6      -7.2561      2.00000
      7      -4.5809      2.00000
      8      -3.9057      2.00000
      9      -3.2857      2.00000
     10      -2.6969      2.00000
     11      -1.7295      2.00000
     12      -1.3811      2.00000
     13      -0.5420      2.00000
     14       0.0659      2.00000
     15       0.9209      2.00000
     16       1.1876      2.00000
     17       3.4432      2.00000
     18       4.0878      2.00000
     19       4.5429      2.00000
     20       5.6553      2.00000
     21      10.1492      0.00000
     22      11.5104      0.00000
     23      12.8238      0.00000
     24      14.3460      0.00000
     25      14.5246      0.00000
     26      14.6707      0.00000
     27      15.6394      0.00000
     28      15.8367      0.00000

 k-point     8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation 
      1     -14.8381      2.00000
      2     -14.1908      2.00000
      3     -10.6408      2.00000
      4     -10.2770      2.00000
      5      -7.9292      2.00000
      6      -7.5336      2.00000
      7      -4.4432      2.00000
      8      -4.0831      2.00000
      9      -3.0475      2.00000
     10      -2.7773      2.00000
     11      -1.5390      2.00000
     12      -1.3463      2.00000
     13      -0.4682      2.00000
     14      -0.1454      2.00000
     15       0.9420      2.00000
     16       1.1030      2.00000
     17       3.5893      2.00000
     18       3.9538      2.00000
     19       4.8295      2.00000
     20       5.4128      2.00000
     21      10.3913      0.00000
     22      11.1018      0.00000
     23      13.4012      0.00000
     24      14.4409      0.00000
     25      14.5569      0.00000
     26      14.6212      0.00000
     27      15.8623      0.00000
     28      16.0632      0.00000

 k-point     9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -14.5289      2.00000
      2     -14.5289      2.00000
      3     -10.4381      2.00000
      4     -10.4381      2.00000
      5      -7.7701      2.00000
      6      -7.7701      2.00000
      7      -4.2715      2.00000
      8      -4.2715      2.00000
      9      -2.8822      2.00000
     10      -2.8822      2.00000
     11      -1.4058      2.00000
     12      -1.4058      2.00000
     13      -0.3303      2.00000
     14      -0.3303      2.00000
     15       1.0101      2.00000
     16       1.0101      2.00000
     17       3.7733      2.00000
     18       3.7733      2.00000
     19       5.1304      2.00000
     20       5.1304      2.00000
     21      10.7177      0.00000
     22      10.7177      0.00000
     23      13.9747      0.00000
     24      13.9747      0.00000
     25      14.6316      0.00000
     26      14.6316      0.00000
     27      16.0074      0.00000
     28      16.0075      0.00000

 k-point    10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.8668      2.00000
      2     -12.0284      2.00000
      3     -11.5515      2.00000
      4     -11.0493      2.00000
      5      -6.6779      2.00000
      6      -6.0753      2.00000
      7      -5.4528      2.00000
      8      -4.0462      2.00000
      9      -3.6281      2.00000
     10      -3.2135      2.00000
     11      -2.1216      2.00000
     12      -2.0639      2.00000
     13      -0.2932      2.00000
     14       0.9525      2.00000
     15       0.9669      2.00000
     16       1.1148      2.00000
     17       3.6273      2.00000
     18       3.7696      2.00000
     19       3.8618      2.00000
     20       6.3230      2.00000
     21      10.4802      0.00000
     22      11.0883      0.00000
     23      11.7464      0.00000
     24      12.8607      0.00000
     25      13.7740      0.00000
     26      13.9081      0.00000
     27      14.1066      0.00000
     28      14.9000      0.00000

 k-point    11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.7987      2.00000
      2     -12.3262      2.00000
      3     -11.5197      2.00000
      4     -10.7916      2.00000
      5      -7.0333      2.00000
      6      -6.1790      2.00000
      7      -5.1461      2.00000
      8      -4.1742      2.00000
      9      -3.6044      2.00000
     10      -2.9240      2.00000
     11      -2.1765      2.00000
     12      -1.9757      2.00000
     13      -0.3942      2.00000
     14       0.8530      2.00000
     15       0.9459      2.00000
     16       1.2043      2.00000
     17       3.5525      2.00000
     18       3.8091      2.00000
     19       3.9649      2.00000
     20       6.2620      2.00000
     21      10.2566      0.00000
     22      11.2258      0.00000
     23      12.2209      0.00000
     24      12.7485      0.00000
     25      13.8140      0.00000
     26      14.1106      0.00000
     27      14.4211      0.00000
     28      14.8696      0.00000

 k-point    12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.6859      2.00000
      2     -12.6842      2.00000
      3     -11.4271      2.00000
      4     -10.5447      2.00000
      5      -7.3890      2.00000
      6      -6.3760      2.00000
      7      -4.8822      2.00000
      8      -4.1629      2.00000
      9      -3.6045      2.00000
     10      -2.6063      2.00000
     11      -2.2709      2.00000
     12      -1.8330      2.00000
     13      -0.4884      2.00000
     14       0.6931      2.00000
     15       0.9151      2.00000
     16       1.2945      2.00000
     17       3.4623      2.00000
     18       3.8764      2.00000
     19       4.1067      2.00000
     20       6.1614      2.00000
     21      10.0848      0.00000
     22      11.4792      0.00000
     23      12.5402      0.00000
     24      12.7986      0.00000
     25      13.9746      0.00000
     26      14.3962      0.00000
     27      14.7755      0.00000
     28      14.8488      0.00000

 k-point    13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.5295      2.00000
      2     -13.0620      2.00000
      3     -11.2913      2.00000
      4     -10.3440      2.00000
      5      -7.6945      2.00000
      6      -6.6297      2.00000
      7      -4.7538      2.00000
      8      -3.9544      2.00000
      9      -3.6343      2.00000
     10      -2.4918      2.00000
     11      -2.1950      2.00000
     12      -1.6695      2.00000
     13      -0.5443      2.00000
     14       0.4936      2.00000
     15       0.8721      2.00000
     16       1.3544      2.00000
     17       3.3971      2.00000
     18       3.9637      2.00000
     19       4.2574      2.00000
     20       6.0260      2.00000
     21      10.0094      0.00000
     22      11.8329      0.00000
     23      12.2885      0.00000
     24      13.3659      0.00000
     25      14.1913      0.00000
     26      14.7068      0.00000
     27      14.7754      0.00000
     28      15.2560      0.00000

 k-point    14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.3313      2.00000
      2     -13.4432      2.00000
      3     -11.1199      2.00000
      4     -10.2227      2.00000
      5      -7.9058      2.00000
      6      -6.9146      2.00000
      7      -4.6782      2.00000
      8      -3.7485      2.00000
      9      -3.6212      2.00000
     10      -2.5955      2.00000
     11      -1.9258      2.00000
     12      -1.5127      2.00000
     13      -0.5626      2.00000
     14       0.2705      2.00000
     15       0.8423      2.00000
     16       1.3564      2.00000
     17       3.3949      2.00000
     18       4.0441      2.00000
     19       4.4072      2.00000
     20       5.8600      2.00000
     21      10.0433      0.00000
     22      11.9349      0.00000
     23      12.2944      0.00000
     24      13.8951      0.00000
     25      14.3494      0.00000
     26      14.7758      0.00000
     27      15.0884      0.00000
     28      15.7099      0.00000

 k-point    15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation 
      1     -15.0934      2.00000
      2     -13.8172      2.00000
      3     -10.9208      2.00000
      4     -10.2120      2.00000
      5      -7.9827      2.00000
      6      -7.2091      2.00000
      7      -4.5788      2.00000
      8      -3.8798      2.00000
      9      -3.3389      2.00000
     10      -2.6914      2.00000
     11      -1.6888      2.00000
     12      -1.3939      2.00000
     13      -0.5466      2.00000
     14       0.0428      2.00000
     15       0.8543      2.00000
     16       1.2895      2.00000
     17       3.4736      2.00000
     18       4.0497      2.00000
     19       4.5998      2.00000
     20       5.6602      2.00000
     21      10.1871      0.00000
     22      11.5486      0.00000
     23      12.8039      0.00000
     24      14.1918      0.00000
     25      14.4983      0.00000
     26      14.8524      0.00000
     27      15.4607      0.00000
     28      16.0627      0.00000

 k-point    16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation 
      1     -14.8188      2.00000
      2     -14.1756      2.00000
      3     -10.7055      2.00000
      4     -10.3139      2.00000
      5      -7.9167      2.00000
      6      -7.4922      2.00000
      7      -4.4381      2.00000
      8      -4.0663      2.00000
      9      -3.0912      2.00000
     10      -2.7832      2.00000
     11      -1.5084      2.00000
     12      -1.3483      2.00000
     13      -0.4809      2.00000
     14      -0.1709      2.00000
     15       0.9220      2.00000
     16       1.1713      2.00000
     17       3.6187      2.00000
     18       3.9538      2.00000
     19       4.8560      2.00000
     20       5.4197      2.00000
     21      10.4315      0.00000
     22      11.1421      0.00000
     23      13.3489      0.00000
     24      14.1542      0.00000
     25      14.6750      0.00000
     26      14.8161      0.00000
     27      15.7998      0.00000
     28      16.1332      0.00000

 k-point    17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation 
      1     -14.5113      2.00000
      2     -14.5113      2.00000
      3     -10.4928      2.00000
      4     -10.4928      2.00000
      5      -7.7391      2.00000
      6      -7.7391      2.00000
      7      -4.2617      2.00000
      8      -4.2617      2.00000
      9      -2.9075      2.00000
     10      -2.9075      2.00000
     11      -1.3908      2.00000
     12      -1.3908      2.00000
     13      -0.3520      2.00000
     14      -0.3520      2.00000
     15       1.0367      2.00000
     16       1.0367      2.00000
     17       3.7939      2.00000
     18       3.7939      2.00000
     19       5.1429      2.00000
     20       5.1429      2.00000
     21      10.7585      0.00000
     22      10.7585      0.00000
     23      13.8493      0.00000
     24      13.8493      0.00000
     25      14.7419      0.00000
     26      14.7419      0.00000
     27      16.0105      0.00000
     28      16.0105      0.00000

 k-point    18 :       0.0625    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.7987      2.00000
      2     -12.3262      2.00000
      3     -11.5196      2.00000
      4     -10.7917      2.00000
      5      -7.0331      2.00000
      6      -6.1798      2.00000
      7      -5.1440      2.00000
      8      -4.1781      2.00000
      9      -3.6005      2.00000
     10      -2.9251      2.00000
     11      -2.1790      2.00000
     12      -1.9737      2.00000
     13      -0.3954      2.00000
     14       0.8254      2.00000
     15       1.0034      2.00000
     16       1.1753      2.00000
     17       3.5390      2.00000
     18       3.8543      2.00000
     19       3.9335      2.00000
     20       6.2620      2.00000
     21      10.2554      0.00000
     22      11.2276      0.00000
     23      12.2219      0.00000
     24      12.7414      0.00000
     25      13.8885      0.00000
     26      14.0176      0.00000
     27      14.4450      0.00000
     28      14.8700      0.00000

 k-point    19 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.7311      2.00000
      2     -12.4850      2.00000
      3     -11.5800      2.00000
      4     -10.5927      2.00000
      5      -7.3149      2.00000
      6      -6.1927      2.00000
      7      -4.9827      2.00000
      8      -4.2850      2.00000
      9      -3.5142      2.00000
     10      -2.7634      2.00000
     11      -2.1367      2.00000
     12      -1.9616      2.00000
     13      -0.4754      2.00000
     14       0.7481      2.00000
     15       0.9245      2.00000
     16       1.2957      2.00000
     17       3.5066      2.00000
     18       3.8419      2.00000
     19       4.0546      2.00000
     20       6.2157      2.00000
     21      10.1688      0.00000
     22      11.3196      0.00000
     23      12.5720      0.00000
     24      12.7514      0.00000
     25      13.7567      0.00000
     26      14.1697      0.00000
     27      14.8115      0.00000
     28      14.8719      0.00000

 k-point    20 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.6191      2.00000
      2     -12.7497      2.00000
      3     -11.5525      2.00000
      4     -10.3970      2.00000
      5      -7.6113      2.00000
      6      -6.3255      2.00000
      7      -4.8047      2.00000
      8      -4.2773      2.00000
      9      -3.4839      2.00000
     10      -2.5720      2.00000
     11      -2.1296      2.00000
     12      -1.8661      2.00000
     13      -0.5379      2.00000
     14       0.6182      2.00000
     15       0.8279      2.00000
     16       1.4260      2.00000
     17       3.4579      2.00000
     18       3.8503      2.00000
     19       4.2223      2.00000
     20       6.1352      2.00000
     21      10.0893      0.00000
     22      11.5379      0.00000
     23      12.5892      0.00000
     24      13.1088      0.00000
     25      13.7691      0.00000
     26      14.3821      0.00000
     27      14.8623      0.00000
     28      15.2285      0.00000

 k-point    21 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.4641      2.00000
      2     -13.0762      2.00000
      3     -11.4490      2.00000
      4     -10.2544      2.00000
      5      -7.8546      2.00000
      6      -6.5447      2.00000
      7      -4.7192      2.00000
      8      -4.0772      2.00000
      9      -3.5194      2.00000
     10      -2.5179      2.00000
     11      -2.0189      2.00000
     12      -1.7193      2.00000
     13      -0.5630      2.00000
     14       0.4437      2.00000
     15       0.7470      2.00000
     16       1.5194      2.00000
     17       3.4223      2.00000
     18       3.8923      2.00000
     19       4.3984      2.00000
     20       6.0191      2.00000
     21      10.0686      0.00000
     22      11.8593      0.00000
     23      12.3878      0.00000
     24      13.5603      0.00000
     25      13.9378      0.00000
     26      14.6230      0.00000
     27      14.8580      0.00000
     28      15.6796      0.00000

 k-point    22 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.2677      2.00000
      2     -13.4282      2.00000
      3     -11.2920      2.00000
      4     -10.2048      2.00000
      5      -7.9922      2.00000
      6      -6.8128      2.00000
      7      -4.6596      2.00000
      8      -3.7896      2.00000
      9      -3.6228      2.00000
     10      -2.5911      2.00000
     11      -1.8041      2.00000
     12      -1.5657      2.00000
     13      -0.5654      2.00000
     14       0.2333      2.00000
     15       0.7274      2.00000
     16       1.5340      2.00000
     17       3.4419      2.00000
     18       3.9563      2.00000
     19       4.5584      2.00000
     20       5.8664      2.00000
     21      10.1339      0.00000
     22      12.0121      0.00000
     23      12.3345      0.00000
     24      13.8310      0.00000
     25      14.2566      0.00000
     26      14.8669      0.00000
     27      14.9403      0.00000
     28      16.1114      0.00000

 k-point    23 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1     -15.0325      2.00000
      2     -13.7844      2.00000
      3     -11.0965      2.00000
      4     -10.2698      2.00000
      5      -7.9926      2.00000
      6      -7.1022      2.00000
      7      -4.5629      2.00000
      8      -3.8147      2.00000
      9      -3.4737      2.00000
     10      -2.6905      2.00000
     11      -1.6012      2.00000
     12      -1.4364      2.00000
     13      -0.5520      2.00000
     14       0.0082      2.00000
     15       0.7909      2.00000
     16       1.4535      2.00000
     17       3.5365      2.00000
     18       3.9972      2.00000
     19       4.7205      2.00000
     20       5.6740      2.00000
     21      10.2944      0.00000
     22      11.6576      0.00000
     23      12.7762      0.00000
     24      13.8971      0.00000
     25      14.5863      0.00000
     26      14.9674      0.00000
     27      15.2854      0.00000
     28      16.2870      0.00000

 k-point    24 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation 
      1     -14.7617      2.00000
      2     -14.1314      2.00000
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     10      -2.8143      2.00000
     11      -1.4508      2.00000
     12      -1.3633      2.00000
     13      -0.4996      2.00000
     14      -0.2059      2.00000
     15       0.9281      2.00000
     16       1.2987      2.00000
     17       3.6850      2.00000
     18       3.9607      2.00000
     19       4.9276      2.00000
     20       5.4408      2.00000
     21      10.5467      0.00000
     22      11.2585      0.00000
     23      13.2419      0.00000
     24      13.8391      0.00000
     25      14.7845      0.00000
     26      14.9757      0.00000
     27      15.7250      0.00000
     28      16.2102      0.00000

 k-point    25 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -14.4595      2.00000
      2     -14.4595      2.00000
      3     -10.6452      2.00000
      4     -10.6452      2.00000
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      9      -2.9834      2.00000
     10      -2.9834      2.00000
     11      -1.3682      2.00000
     12      -1.3682      2.00000
     13      -0.3829      2.00000
     14      -0.3829      2.00000
     15       1.1098      2.00000
     16       1.1098      2.00000
     17       3.8430      2.00000
     18       3.8430      2.00000
     19       5.1805      2.00000
     20       5.1805      2.00000
     21      10.8763      0.00000
     22      10.8763      0.00000
     23      13.6257      0.00000
     24      13.6257      0.00000
     25      14.8928      0.00000
     26      14.8928      0.00000
     27      16.0252      0.00000
     28      16.0316      0.00000

 k-point    26 :       0.0625    0.1875    0.0000
  band No.  band energies     occupation 
      1     -15.6859      2.00000
      2     -12.6842      2.00000
      3     -11.4271      2.00000
      4     -10.5448      2.00000
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      9      -3.5906      2.00000
     10      -2.6035      2.00000
     11      -2.2844      2.00000
     12      -1.8271      2.00000
     13      -0.4921      2.00000
     14       0.6558      2.00000
     15       1.0347      2.00000
     16       1.2153      2.00000
     17       3.4384      2.00000
     18       3.9824      2.00000
     19       4.0258      2.00000
     20       6.1617      2.00000
     21      10.0816      0.00000
     22      11.4850      0.00000
     23      12.5410      0.00000
     24      12.7845      0.00000
     25      14.1462      0.00000
     26      14.1966      0.00000
     27      14.8099      0.00000
     28      14.8546      0.00000

 k-point    27 :       0.1250    0.1875    0.0000
  band No.  band energies     occupation 
      1     -15.6191      2.00000
      2     -12.7497      2.00000
      3     -11.5524      2.00000
      4     -10.3971      2.00000
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      6      -6.3288      2.00000
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      8      -4.3114      2.00000
      9      -3.4624      2.00000
     10      -2.5646      2.00000
     11      -2.1715      2.00000
     12      -1.8429      2.00000
     13      -0.5439      2.00000
     14       0.5625      2.00000
     15       0.9726      2.00000
     16       1.3425      2.00000
     17       3.4171      2.00000
     18       3.9597      2.00000
     19       4.1564      2.00000
     20       6.1359      2.00000
     21      10.0828      0.00000
     22      11.5500      0.00000
     23      12.5751      0.00000
     24      13.0937      0.00000
     25      13.8878      0.00000
     26      14.2738      0.00000
     27      14.8689      0.00000
     28      15.2378      0.00000

 k-point    28 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation 
      1     -15.5087      2.00000
      2     -12.8945      2.00000
      3     -11.6247      2.00000
      4     -10.2656      2.00000
      5      -7.8384      2.00000
      6      -6.3707      2.00000
      7      -4.6597      2.00000
      8      -4.3601      2.00000
      9      -3.3895      2.00000
     10      -2.5260      2.00000
     11      -2.0018      2.00000
     12      -1.8600      2.00000
     13      -0.5675      2.00000
     14       0.4573      2.00000
     15       0.8530      2.00000
     16       1.5005      2.00000
     17       3.3935      2.00000
     18       3.9410      2.00000
     19       4.3376      2.00000
     20       6.0838      2.00000
     21      10.0980      0.00000
     22      11.7169      0.00000
     23      12.5875      0.00000
     24      13.4758      0.00000
     25      13.7227      0.00000
     26      14.4071      0.00000
     27      14.8915      0.00000
     28      15.6634      0.00000

 k-point    29 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation 
      1     -15.3560      2.00000
      2     -13.1266      2.00000
      3     -11.6010      2.00000
      4     -10.2072      2.00000
      5      -7.9957      2.00000
      6      -6.5133      2.00000
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      8      -4.1993      2.00000
      9      -3.4147      2.00000
     10      -2.5330      2.00000
     11      -1.8342      2.00000
     12      -1.7991      2.00000
     13      -0.5605      2.00000
     14       0.3654      2.00000
     15       0.7199      2.00000
     16       1.6265      2.00000
     17       3.3906      2.00000
     18       3.9455      2.00000
     19       4.5284      2.00000
     20       5.9967      2.00000
     21      10.1510      0.00000
     22      11.9744      0.00000
     23      12.5051      0.00000
     24      13.5990      0.00000
     25      13.9409      0.00000
     26      14.5961      0.00000
     27      14.8769      0.00000
     28      16.0895      0.00000

 k-point    30 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation 
      1     -15.1631      2.00000
      2     -13.4190      2.00000
      3     -11.4914      2.00000
      4     -10.2561      2.00000
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      6      -6.7297      2.00000
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     10      -2.5989      2.00000
     11      -1.7458      2.00000
     12      -1.6033      2.00000
     13      -0.5460      2.00000
     14       0.2409      2.00000
     15       0.6789      2.00000
     16       1.6665      2.00000
     17       3.4433      2.00000
     18       3.9769      2.00000
     19       4.6991      2.00000
     20       5.8672      2.00000
     21      10.2650      0.00000
     22      12.1160      0.00000
     23      12.4678      0.00000
     24      13.6174      0.00000
     25      14.3080      0.00000
     26      14.7798      0.00000
     27      14.9332      0.00000
     28      16.3203      0.00000

 k-point    31 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation 
      1     -14.9327      2.00000
      2     -13.7389      2.00000
      3     -11.3198      2.00000
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     10      -2.7144      2.00000
     11      -1.6236      2.00000
     12      -1.4583      2.00000
     13      -0.5179      2.00000
     14       0.0506      2.00000
     15       0.7862      2.00000
     16       1.5945      2.00000
     17       3.5681      2.00000
     18       4.0087      2.00000
     19       4.8528      2.00000
     20       5.6914      2.00000
     21      10.4541      0.00000
     22      11.8231      0.00000
     23      12.7993      0.00000
     24      13.6230      0.00000
     25      14.6321      0.00000
     26      14.8293      0.00000
     27      15.2031      0.00000
     28      16.2359      0.00000

 k-point    32 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation 
      1     -14.6687      2.00000
      2     -14.0631      2.00000
      3     -11.1058      2.00000
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      6      -7.2644      2.00000
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     10      -2.8809      2.00000
     11      -1.5027      2.00000
     12      -1.3946      2.00000
     13      -0.4489      2.00000
     14      -0.1516      2.00000
     15       0.9816      2.00000
     16       1.4285      2.00000
     17       3.7361      2.00000
     18       3.9907      2.00000
     19       5.0257      2.00000
     20       5.4748      2.00000
     21      10.7213      0.00000
     22      11.4380      0.00000
     23      13.1603      0.00000
     24      13.5767      0.00000
     25      14.8311      0.00000
     26      14.8749      0.00000
     27      15.5727      0.00000
     28      16.1291      0.00000

 k-point    33 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation 
      1     -14.3765      2.00000
      2     -14.3765      2.00000
      3     -10.8672      2.00000
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      5      -7.5329      2.00000
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     10      -3.0975      2.00000
     11      -1.4160      2.00000
     12      -1.4160      2.00000
     13      -0.3250      2.00000
     14      -0.3250      2.00000
     15       1.2101      2.00000
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     17       3.8933      2.00000
     18       3.8933      2.00000
     19       5.2405      2.00000
     20       5.2405      2.00000
     21      11.0570      0.00000
     22      11.0570      0.00000
     23      13.4334      0.00000
     24      13.4334      0.00000
     25      14.8898      0.00000
     26      14.8898      0.00000
     27      16.0115      0.00000
     28      16.0129      0.00000

 k-point    34 :       0.0625    0.2500    0.0000
  band No.  band energies     occupation 
      1     -15.5295      2.00000
      2     -13.0620      2.00000
      3     -11.2912      2.00000
      4     -10.3441      2.00000
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     10      -2.4700      2.00000
     11      -2.2406      2.00000
     12      -1.6579      2.00000
     13      -0.5490      2.00000
     14       0.4604      2.00000
     15       1.0292      2.00000
     16       1.2365      2.00000
     17       3.3694      2.00000
     18       4.0916      2.00000
     19       4.1595      2.00000
     20       6.0270      2.00000
     21      10.0038      0.00000
     22      11.8460      0.00000
     23      12.2793      0.00000
     24      13.3567      0.00000
     25      14.3839      0.00000
     26      14.4727      0.00000
     27      14.8139      0.00000
     28      15.2712      0.00000

 k-point    35 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -15.4641      2.00000
      2     -13.0762      2.00000
      3     -11.4488      2.00000
      4     -10.2545      2.00000
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     10      -2.4803      2.00000
     11      -2.1452      2.00000
     12      -1.6697      2.00000
     13      -0.5707      2.00000
     14       0.3798      2.00000
     15       1.0081      2.00000
     16       1.3376      2.00000
     17       3.3562      2.00000
     18       4.0765      2.00000
     19       4.2868      2.00000
     20       6.0222      2.00000
     21      10.0530      0.00000
     22      11.8976      0.00000
     23      12.3518      0.00000
     24      13.5624      0.00000
     25      14.1411      0.00000
     26      14.4187      0.00000
     27      14.8894      0.00000
     28      15.6595      0.00000

 k-point    36 :       0.1875    0.2500    0.0000
  band No.  band energies     occupation 
      1     -15.3560      2.00000
      2     -13.1267      2.00000
      3     -11.6008      2.00000
      4     -10.2072      2.00000
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     10      -2.5056      2.00000
     11      -2.0268      2.00000
     12      -1.6848      2.00000
     13      -0.5592      2.00000
     14       0.3289      2.00000
     15       0.8919      2.00000
     16       1.5059      2.00000
     17       3.3450      2.00000
     18       4.0600      2.00000
     19       4.4658      2.00000
     20       6.0007      2.00000
     21      10.1348      0.00000
     22      12.0176      0.00000
     23      12.4532      0.00000
     24      13.7883      0.00000
     25      13.8740      0.00000
     26      14.4868      0.00000
     27      14.9191      0.00000
     28      16.0420      0.00000

 k-point    37 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -15.2070      2.00000
      2     -13.2446      2.00000
      3     -11.6803      2.00000
      4     -10.2530      2.00000
      5      -8.0498      2.00000
      6      -6.5710      2.00000
      7      -4.4797      2.00000
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      9      -3.3659      2.00000
     10      -2.5437      2.00000
     11      -1.9556      2.00000
     12      -1.6394      2.00000
     13      -0.5189      2.00000
     14       0.3463      2.00000
     15       0.7386      2.00000
     16       1.6571      2.00000
     17       3.3557      2.00000
     18       4.0541      2.00000
     19       4.6578      2.00000
     20       5.9474      2.00000
     21      10.2543      0.00000
     22      12.1902      0.00000
     23      12.5454      0.00000
     24      13.5914      0.00000
     25      14.0635      0.00000
     26      14.5575      0.00000
     27      14.9268      0.00000
     28      16.2509      0.00000

 k-point    38 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation 
      1     -15.0193      2.00000
      2     -13.4414      2.00000
      3     -11.6571      2.00000
      4     -10.4000      2.00000
      5      -7.9938      2.00000
      6      -6.7057      2.00000
      7      -4.4947      2.00000
      8      -4.0480      2.00000
      9      -3.4869      2.00000
     10      -2.6116      2.00000
     11      -1.9171      2.00000
     12      -1.5440      2.00000
     13      -0.4593      2.00000
     14       0.3546      2.00000
     15       0.6695      2.00000
     16       1.7296      2.00000
     17       3.4206      2.00000
     18       4.0635      2.00000
     19       4.8311      2.00000
     20       5.8493      2.00000
     21      10.4215      0.00000
     22      12.2516      0.00000
     23      12.6638      0.00000
     24      13.4453      0.00000
     25      14.2873      0.00000
     26      14.5738      0.00000
     27      15.0009      0.00000
     28      16.2240      0.00000

 k-point    39 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1     -14.7966      2.00000
      2     -13.6969      2.00000
      3     -11.5404      2.00000
      4     -10.6194      2.00000
      5      -7.8456      2.00000
      6      -6.9048      2.00000
      7      -4.4460      2.00000
      8      -3.8083      2.00000
      9      -3.6594      2.00000
     10      -2.7485      2.00000
     11      -1.8360      2.00000
     12      -1.4871      2.00000
     13      -0.3722      2.00000
     14       0.2180      2.00000
     15       0.8186      2.00000
     16       1.6855      2.00000
     17       3.5600      2.00000
     18       4.0704      2.00000
     19       4.9806      2.00000
     20       5.7013      2.00000
     21      10.6465      0.00000
     22      12.0224      0.00000
     23      12.9074      0.00000
     24      13.4062      0.00000
     25      14.4759      0.00000
     26      14.6425      0.00000
     27      15.1087      0.00000
     28      16.1802      0.00000

 k-point    40 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation 
      1     -14.5439      2.00000
      2     -13.9806      2.00000
      3     -11.3552      2.00000
      4     -10.8718      2.00000
      5      -7.6365      2.00000
      6      -7.1428      2.00000
      7      -4.3262      2.00000
      8      -3.9365      2.00000
      9      -3.4790      2.00000
     10      -2.9555      2.00000
     11      -1.7149      2.00000
     12      -1.5056      2.00000
     13      -0.2552      2.00000
     14       0.0461      2.00000
     15       1.0571      2.00000
     16       1.5328      2.00000
     17       3.7470      2.00000
     18       4.0340      2.00000
     19       5.1322      2.00000
     20       5.5132      2.00000
     21      10.9345      0.00000
     22      11.6599      0.00000
     23      13.1522      0.00000
     24      13.3904      0.00000
     25      14.5927      0.00000
     26      14.7316      0.00000
     27      15.3337      0.00000
     28      16.0827      0.00000

 k-point    41 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -14.2684      2.00000
      2     -14.2684      2.00000
      3     -11.1252      2.00000
      4     -11.1252      2.00000
      5      -7.3944      2.00000
      6      -7.3944      2.00000
      7      -4.1489      2.00000
      8      -4.1489      2.00000
      9      -3.2076      2.00000
     10      -3.2076      2.00000
     11      -1.5917      2.00000
     12      -1.5917      2.00000
     13      -0.1142      2.00000
     14      -0.1142      2.00000
     15       1.3095      2.00000
     16       1.3095      2.00000
     17       3.9221      2.00000
     18       3.9221      2.00000
     19       5.3126      2.00000
     20       5.3126      2.00000
     21      11.2799      0.00000
     22      11.2799      0.00000
     23      13.3187      0.00000
     24      13.3187      0.00000
     25      14.6937      0.00000
     26      14.6937      0.00000
     27      15.7150      0.00000
     28      15.7154      0.00000

 k-point    42 :       0.0625    0.3125    0.0000
  band No.  band energies     occupation 
      1     -15.3313      2.00000
      2     -13.4433      2.00000
      3     -11.1198      2.00000
      4     -10.2227      2.00000
      5      -7.9056      2.00000
      6      -6.9170      2.00000
      7      -4.6627      2.00000
      8      -3.8257      2.00000
      9      -3.5448      2.00000
     10      -2.5846      2.00000
     11      -1.9797      2.00000
     12      -1.4980      2.00000
     13      -0.5617      2.00000
     14       0.2613      2.00000
     15       0.9899      2.00000
     16       1.2298      2.00000
     17       3.3679      2.00000
     18       4.1385      2.00000
     19       4.3411      2.00000
     20       5.8625      2.00000
     21      10.0356      0.00000
     22      11.9319      0.00000
     23      12.3094      0.00000
     24      13.8885      0.00000
     25      14.5492      0.00000
     26      14.5932      0.00000
     27      15.0872      0.00000
     28      15.6913      0.00000

 k-point    43 :       0.1250    0.3125    0.0000
  band No.  band energies     occupation 
      1     -15.2677      2.00000
      2     -13.4282      2.00000
      3     -11.2918      2.00000
      4     -10.2048      2.00000
      5      -7.9922      2.00000
      6      -6.8200      2.00000
      7      -4.6058      2.00000
      8      -3.9518      2.00000
      9      -3.4678      2.00000
     10      -2.5581      2.00000
     11      -1.9885      2.00000
     12      -1.5126      2.00000
     13      -0.5514      2.00000
     14       0.2309      2.00000
     15       1.0093      2.00000
     16       1.2903      2.00000
     17       3.3677      2.00000
     18       4.1360      2.00000
     19       4.4563      2.00000
     20       5.8749      2.00000
     21      10.1095      0.00000
     22      12.0122      0.00000
     23      12.3648      0.00000
     24      13.9453      0.00000
     25      14.3949      0.00000
     26      14.5711      0.00000
     27      15.0341      0.00000
     28      16.0045      0.00000

 k-point    44 :       0.1875    0.3125    0.0000
  band No.  band energies     occupation 
      1     -15.1631      2.00000
      2     -13.4190      2.00000
      3     -11.4911      2.00000
      4     -10.2559      2.00000
      5      -8.0357      2.00000
      6      -6.7393      2.00000
      7      -4.5022      2.00000
      8      -4.1004      2.00000
      9      -3.3995      2.00000
     10      -2.5566      2.00000
     11      -2.0040      2.00000
     12      -1.5487      2.00000
     13      -0.4985      2.00000
     14       0.2636      2.00000
     15       0.9180      2.00000
     16       1.4482      2.00000
     17       3.3695      2.00000
     18       4.1316      2.00000
     19       4.6206      2.00000
     20       5.8808      2.00000
     21      10.2300      0.00000
     22      12.1301      0.00000
     23      12.4820      0.00000
     24      14.0029      0.00000
     25      14.0959      0.00000
     26      14.5783      0.00000
     27      15.0247      0.00000
     28      16.0900      0.00000

 k-point    45 :       0.2500    0.3125    0.0000
  band No.  band energies     occupation 
      1     -15.0193      2.00000
      2     -13.4414      2.00000
      3     -11.6568      2.00000
      4     -10.3999      2.00000
      5      -7.9947      2.00000
      6      -6.7124      2.00000
      7      -4.3802      2.00000
      8      -4.1989      2.00000
      9      -3.3964      2.00000
     10      -2.5771      2.00000
     11      -2.0614      2.00000
     12      -1.5710      2.00000
     13      -0.3994      2.00000
     14       0.3833      2.00000
     15       0.7839      2.00000
     16       1.6106      2.00000
     17       3.3848      2.00000
     18       4.1274      2.00000
     19       4.8005      2.00000
     20       5.8616      2.00000
     21      10.3953      0.00000
     22      12.2560      0.00000
     23      12.6657      0.00000
     24      13.7287      0.00000
     25      14.1029      0.00000
     26      14.4971      0.00000
     27      15.0084      0.00000
     28      16.0566      0.00000

 k-point    46 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation 
      1     -14.8396      2.00000
      2     -13.5256      2.00000
      3     -11.7386      2.00000
      4     -10.6185      2.00000
      5      -7.8723      2.00000
      6      -6.7559      2.00000
      7      -4.3751      2.00000
      8      -4.0860      2.00000
      9      -3.4938      2.00000
     10      -2.6102      2.00000
     11      -2.1466      2.00000
     12      -1.5761      2.00000
     13      -0.2655      2.00000
     14       0.5423      2.00000
     15       0.6800      2.00000
     16       1.7125      2.00000
     17       3.4410      2.00000
     18       4.1246      2.00000
     19       4.9650      2.00000
     20       5.8000      2.00000
     21      10.6054      0.00000
     22      12.3226      0.00000
     23      12.8902      0.00000
     24      13.4107      0.00000
     25      14.1659      0.00000
     26      14.4466      0.00000
     27      14.9693      0.00000
     28      16.0139      0.00000

 k-point    47 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation 
      1     -14.6287      2.00000
      2     -13.6844      2.00000
      3     -11.7114      2.00000
      4     -10.8768      2.00000
      5      -7.6923      2.00000
      6      -6.8712      2.00000
      7      -4.3693      2.00000
      8      -3.9055      2.00000
      9      -3.6263      2.00000
     10      -2.7422      2.00000
     11      -2.1340      2.00000
     12      -1.6159      2.00000
     13      -0.1114      2.00000
     14       0.4750      2.00000
     15       0.8583      2.00000
     16       1.7073      2.00000
     17       3.5647      2.00000
     18       4.1097      2.00000
     19       5.1036      2.00000
     20       5.6892      2.00000
     21      10.8631      0.00000
     22      12.2034      0.00000
     23      13.0943      0.00000
     24      13.2623      0.00000
     25      14.1991      0.00000
     26      14.5008      0.00000
     27      14.9521      0.00000
     28      15.9404      0.00000

 k-point    48 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation 
      1     -14.3938      2.00000
      2     -13.9008      2.00000
      3     -11.5849      2.00000
      4     -11.1416      2.00000
      5      -7.4794      2.00000
      6      -7.0455      2.00000
      7      -4.2898      2.00000
      8      -3.9673      2.00000
      9      -3.5103      2.00000
     10      -2.9777      2.00000
     11      -2.0130      2.00000
     12      -1.7143      2.00000
     13       0.0482      2.00000
     14       0.3445      2.00000
     15       1.1220      2.00000
     16       1.5863      2.00000
     17       3.7435      2.00000
     18       4.0509      2.00000
     19       5.2338      2.00000
     20       5.5401      2.00000
     21      11.1702      0.00000
     22      11.8911      0.00000
     23      13.2157      0.00000
     24      13.2918      0.00000
     25      14.2792      0.00000
     26      14.5010      0.00000
     27      15.0874      0.00000
     28      15.7031      0.00000

 k-point    49 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation 
      1     -14.1455      2.00000
      2     -14.1455      2.00000
      3     -11.3860      2.00000
      4     -11.3860      2.00000
      5      -7.2563      2.00000
      6      -7.2563      2.00000
      7      -4.1448      2.00000
      8      -4.1448      2.00000
      9      -3.2487      2.00000
     10      -3.2487      2.00000
     11      -1.8574      2.00000
     12      -1.8574      2.00000
     13       0.2022      2.00000
     14       0.2022      2.00000
     15       1.3780      2.00000
     16       1.3780      2.00000
     17       3.9235      2.00000
     18       3.9235      2.00000
     19       5.3797      2.00000
     20       5.3797      2.00000
     21      11.5213      0.00000
     22      11.5213      0.00000
     23      13.2887      0.00000
     24      13.2887      0.00000
     25      14.4039      0.00000
     26      14.4039      0.00000
     27      15.3698      0.00000
     28      15.3698      0.00000

 k-point    50 :       0.0625    0.3750    0.0000
  band No.  band energies     occupation 
      1     -15.0934      2.00000
      2     -13.8172      2.00000
      3     -10.9207      2.00000
      4     -10.2120      2.00000
      5      -7.9828      2.00000
      6      -7.2112      2.00000
      7      -4.5651      2.00000
      8      -3.8990      2.00000
      9      -3.3150      2.00000
     10      -2.6843      2.00000
     11      -1.7571      2.00000
     12      -1.3917      2.00000
     13      -0.5260      2.00000
     14       0.0725      2.00000
     15       0.9551      2.00000
     16       1.1806      2.00000
     17       3.4497      2.00000
     18       4.0938      2.00000
     19       4.5767      2.00000
     20       5.6651      2.00000
     21      10.1780      0.00000
     22      11.5424      0.00000
     23      12.8362      0.00000
     24      14.2631      0.00000
     25      14.5946      0.00000
     26      14.6657      0.00000
     27      15.4754      0.00000
     28      16.0532      0.00000

 k-point    51 :       0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1     -15.0325      2.00000
      2     -13.7845      2.00000
      3     -11.0962      2.00000
      4     -10.2696      2.00000
      5      -7.9936      2.00000
      6      -7.1088      2.00000
      7      -4.5148      2.00000
      8      -3.9001      2.00000
      9      -3.3766      2.00000
     10      -2.6665      2.00000
     11      -1.8241      2.00000
     12      -1.4389      2.00000
     13      -0.4698      2.00000
     14       0.1155      2.00000
     15       0.9889      2.00000
     16       1.2135      2.00000
     17       3.4644      2.00000
     18       4.1070      2.00000
     19       4.6722      2.00000
     20       5.6907      2.00000
     21      10.2639      0.00000
     22      11.6368      0.00000
     23      12.8773      0.00000
     24      14.1639      0.00000
     25      14.5544      0.00000
     26      14.6594      0.00000
     27      15.3333      0.00000
     28      16.0537      0.00000

 k-point    52 :       0.1875    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.9327      2.00000
      2     -13.7389      2.00000
      3     -11.3193      2.00000
      4     -10.4071      2.00000
      5      -7.9526      2.00000
      6      -6.9992      2.00000
      7      -4.4284      2.00000
      8      -3.9505      2.00000
      9      -3.4209      2.00000
     10      -2.6771      2.00000
     11      -1.9165      2.00000
     12      -1.5248      2.00000
     13      -0.3606      2.00000
     14       0.2241      2.00000
     15       0.9421      2.00000
     16       1.3453      2.00000
     17       3.4792      2.00000
     18       4.1173      2.00000
     19       4.8119      2.00000
     20       5.7199      2.00000
     21      10.4048      0.00000
     22      11.7869      0.00000
     23      12.9539      0.00000
     24      14.0996      0.00000
     25      14.2992      0.00000
     26      14.6261      0.00000
     27      15.1539      0.00000
     28      15.9764      0.00000

 k-point    53 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.7966      2.00000
      2     -13.6970      2.00000
      3     -11.5399      2.00000
      4     -10.6190      2.00000
      5      -7.8483      2.00000
      6      -6.9149      2.00000
      7      -4.3257      2.00000
      8      -4.0317      2.00000
      9      -3.4547      2.00000
     10      -2.7024      2.00000
     11      -2.0641      2.00000
     12      -1.6110      2.00000
     13      -0.1997      2.00000
     14       0.3971      2.00000
     15       0.8750      2.00000
     16       1.5000      2.00000
     17       3.4952      2.00000
     18       4.1193      2.00000
     19       4.9675      2.00000
     20       5.7334      2.00000
     21      10.5964      0.00000
     22      11.9756      0.00000
     23      13.0662      0.00000
     24      13.8843      0.00000
     25      14.1253      0.00000
     26      14.5019      0.00000
     27      14.9737      0.00000
     28      15.8361      0.00000

 k-point    54 :       0.3125    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.6287      2.00000
      2     -13.6844      2.00000
      3     -11.7111      2.00000
      4     -10.8765      2.00000
      5      -7.6943      2.00000
      6      -6.8771      2.00000
      7      -4.2915      2.00000
      8      -4.0224      2.00000
      9      -3.5270      2.00000
     10      -2.6814      2.00000
     11      -2.2801      2.00000
     12      -1.6939      2.00000
     13      -0.0055      2.00000
     14       0.6197      2.00000
     15       0.8185      2.00000
     16       1.6161      2.00000
     17       3.5322      2.00000
     18       4.1115      2.00000
     19       5.1095      2.00000
     20       5.7113      2.00000
     21      10.8335      0.00000
     22      12.1614      0.00000
     23      13.1981      0.00000
     24      13.5038      0.00000
     25      14.1005      0.00000
     26      14.3895      0.00000
     27      14.8252      0.00000
     28      15.6984      0.00000

 k-point    55 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.4359      2.00000
      2     -13.7309      2.00000
      3     -11.7898      2.00000
      4     -11.1478      2.00000
      5      -7.5105      2.00000
      6      -6.9008      2.00000
      7      -4.3145      2.00000
      8      -3.9656      2.00000
      9      -3.5673      2.00000
     10      -2.6721      2.00000
     11      -2.4503      2.00000
     12      -1.8115      2.00000
     13       0.1977      2.00000
     14       0.7565      2.00000
     15       0.8808      2.00000
     16       1.6459      2.00000
     17       3.6179      2.00000
     18       4.0861      2.00000
     19       5.2243      2.00000
     20       5.6442      2.00000
     21      11.1111      0.00000
     22      12.2383      0.00000
     23      13.2211      0.00000
     24      13.3212      0.00000
     25      14.0714      0.00000
     26      14.3276      0.00000
     27      14.7626      0.00000
     28      15.5361      0.00000

 k-point    56 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.2291      2.00000
      2     -13.8496      2.00000
      3     -11.7543      2.00000
      4     -11.4036      2.00000
      5      -7.3174      2.00000
      6      -6.9906      2.00000
      7      -4.2875      2.00000
      8      -4.0553      2.00000
      9      -3.4221      2.00000
     10      -2.9012      2.00000
     11      -2.3431      2.00000
     12      -1.9730      2.00000
     13       0.3890      2.00000
     14       0.6749      2.00000
     15       1.1456      2.00000
     16       1.5654      2.00000
     17       3.7552      2.00000
     18       4.0227      2.00000
     19       5.3231      2.00000
     20       5.5416      2.00000
     21      11.4237      0.00000
     22      12.0730      0.00000
     23      13.1953      0.00000
     24      13.3559      0.00000
     25      14.0873      0.00000
     26      14.2518      0.00000
     27      14.8424      0.00000
     28      15.2916      0.00000

 k-point    57 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation 
      1     -14.0252      2.00000
      2     -14.0252      2.00000
      3     -11.6158      2.00000
      4     -11.6158      2.00000
      5      -7.1364      2.00000
      6      -7.1364      2.00000
      7      -4.1919      2.00000
      8      -4.1919      2.00000
      9      -3.1753      2.00000
     10      -3.1753      2.00000
     11      -2.1599      2.00000
     12      -2.1599      2.00000
     13       0.5517      2.00000
     14       0.5517      2.00000
     15       1.3871      2.00000
     16       1.3871      2.00000
     17       3.9063      2.00000
     18       3.9063      2.00000
     19       5.4277      2.00000
     20       5.4277      2.00000
     21      11.7588      0.00000
     22      11.7588      0.00000
     23      13.2938      0.00000
     24      13.2938      0.00000
     25      14.1609      0.00000
     26      14.1609      0.00000
     27      15.0348      0.00000
     28      15.0348      0.00000

 k-point    58 :       0.0625    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.8188      2.00000
      2     -14.1756      2.00000
      3     -10.7053      2.00000
      4     -10.3138      2.00000
      5      -7.9173      2.00000
      6      -7.4939      2.00000
      7      -4.4274      2.00000
      8      -4.0681      2.00000
      9      -3.0799      2.00000
     10      -2.7772      2.00000
     11      -1.5825      2.00000
     12      -1.3786      2.00000
     13      -0.4281      2.00000
     14      -0.1066      2.00000
     15       0.9602      2.00000
     16       1.0987      2.00000
     17       3.6008      2.00000
     18       3.9652      2.00000
     19       4.8551      2.00000
     20       5.4265      2.00000
     21      10.4221      0.00000
     22      11.1347      0.00000
     23      13.4099      0.00000
     24      14.3750      0.00000
     25      14.5313      0.00000
     26      14.6585      0.00000
     27      15.7972      0.00000
     28      16.1356      0.00000

 k-point    59 :       0.1250    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.7617      2.00000
      2     -14.1314      2.00000
      3     -10.8750      2.00000
      4     -10.4304      2.00000
      5      -7.8695      2.00000
      6      -7.3955      2.00000
      7      -4.3802      2.00000
      8      -4.0316      2.00000
      9      -3.1681      2.00000
     10      -2.7941      2.00000
     11      -1.6806      2.00000
     12      -1.4677      2.00000
     13      -0.3232      2.00000
     14      -0.0029      2.00000
     15       0.9896      2.00000
     16       1.1214      2.00000
     17       3.6270      2.00000
     18       3.9908      2.00000
     19       4.9287      2.00000
     20       5.4647      2.00000
     21      10.5142      0.00000
     22      11.2323      0.00000
     23      13.4349      0.00000
     24      14.2530      0.00000
     25      14.5128      0.00000
     26      14.6126      0.00000
     27      15.6135      0.00000
     28      16.0922      0.00000

 k-point    60 :       0.1875    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.6688      2.00000
      2     -14.0632      2.00000
      3     -11.1052      2.00000
      4     -10.6240      2.00000
      5      -7.7754      2.00000
      6      -7.2733      2.00000
      7      -4.3064      2.00000
      8      -3.9976      2.00000
      9      -3.2849      2.00000
     10      -2.8506      2.00000
     11      -1.8033      2.00000
     12      -1.5873      2.00000
     13      -0.1725      2.00000
     14       0.1484      2.00000
     15       0.9964      2.00000
     16       1.2193      2.00000
     17       3.6513      2.00000
     18       4.0133      2.00000
     19       5.0381      2.00000
     20       5.5170      2.00000
     21      10.6657      0.00000
     22      11.3906      0.00000
     23      13.4717      0.00000
     24      14.1310      0.00000
     25      14.3708      0.00000
     26      14.5507      0.00000
     27      15.2590      0.00000
     28      15.8305      0.00000

 k-point    61 :       0.2500    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.5439      2.00000
      2     -13.9807      2.00000
      3     -11.3546      2.00000
      4     -10.8712      2.00000
      5      -7.6418      2.00000
      6      -7.1529      2.00000
      7      -4.2289      2.00000
      8      -3.9939      2.00000
      9      -3.3889      2.00000
     10      -2.9209      2.00000
     11      -1.9719      2.00000
     12      -1.7138      2.00000
     13       0.0217      2.00000
     14       0.3398      2.00000
     15       1.0141      2.00000
     16       1.3479      2.00000
     17       3.6665      2.00000
     18       4.0220      2.00000
     19       5.1598      2.00000
     20       5.5641      2.00000
     21      10.8710      0.00000
     22      11.5990      0.00000
     23      13.5074      0.00000
     24      13.9233      0.00000
     25      14.2039      0.00000
     26      14.4921      0.00000
     27      14.9305      0.00000
     28      15.5058      0.00000

 k-point    62 :       0.3125    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.3938      2.00000
      2     -13.9009      2.00000
      3     -11.5845      2.00000
      4     -11.1412      2.00000
      5      -7.4841      2.00000
      6      -7.0537      2.00000
      7      -4.2096      2.00000
      8      -4.0096      2.00000
      9      -3.4450      2.00000
     10      -2.9285      2.00000
     11      -2.1986      2.00000
     12      -1.8573      2.00000
     13       0.2499      2.00000
     14       0.5696      2.00000
     15       1.0425      2.00000
     16       1.4568      2.00000
     17       3.6838      2.00000
     18       4.0161      2.00000
     19       5.2669      2.00000
     20       5.5842      2.00000
     21      11.1206      0.00000
     22      11.8340      0.00000
     23      13.5150      0.00000
     24      13.6056      0.00000
     25      14.1451      0.00000
     26      14.3957      0.00000
     27      14.6832      0.00000
     28      15.2786      0.00000

 k-point    63 :       0.3750    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.2291      2.00000
      2     -13.8496      2.00000
      3     -11.7541      2.00000
      4     -11.4034      2.00000
      5      -7.3200      2.00000
      6      -6.9946      2.00000
      7      -4.2576      2.00000
      8      -4.0583      2.00000
      9      -3.3988      2.00000
     10      -2.8355      2.00000
     11      -2.4617      2.00000
     12      -2.0366      2.00000
     13       0.4873      2.00000
     14       0.8238      2.00000
     15       1.0521      2.00000
     16       1.5030      2.00000
     17       3.7248      2.00000
     18       3.9965      2.00000
     19       5.3441      2.00000
     20       5.5650      2.00000
     21      11.4009      0.00000
     22      12.0417      0.00000
     23      13.3061      0.00000
     24      13.4821      0.00000
     25      14.1221      0.00000
     26      14.2617      0.00000
     27      14.5871      0.00000
     28      15.0873      0.00000

 k-point    64 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation 
      1     -14.0670      2.00000
      2     -13.8558      2.00000
      3     -11.8248      2.00000
      4     -11.6268      2.00000
      5      -7.1691      2.00000
      6      -6.9922      2.00000
      7      -4.2865      2.00000
      8      -4.1608      2.00000
      9      -3.2342      2.00000
     10      -2.7367      2.00000
     11      -2.6688      2.00000
     12      -2.2454      2.00000
     13       0.7048      2.00000
     14       0.9784      2.00000
     15       1.1071      2.00000
     16       1.4561      2.00000
     17       3.7987      2.00000
     18       3.9560      2.00000
     19       5.3992      2.00000
     20       5.5140      2.00000
     21      11.6926      0.00000
     22      12.1083      0.00000
     23      13.1696      0.00000
     24      13.3770      0.00000
     25      14.1064      0.00000
     26      14.1535      0.00000
     27      14.6237      0.00000
     28      14.9002      0.00000

 k-point    65 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation 
      1     -13.9331      2.00000
      2     -13.9331      2.00000
      3     -11.7779      2.00000
      4     -11.7779      2.00000
      5      -7.0533      2.00000
      6      -7.0533      2.00000
      7      -4.2523      2.00000
      8      -4.2523      2.00000
      9      -3.0014      2.00000
     10      -3.0014      2.00000
     11      -2.4638      2.00000
     12      -2.4638      2.00000
     13       0.8773      2.00000
     14       0.8773      2.00000
     15       1.3134      2.00000
     16       1.3134      2.00000
     17       3.8862      2.00000
     18       3.8862      2.00000
     19       5.4533      2.00000
     20       5.4533      2.00000
     21      11.9585      0.00000
     22      11.9585      0.00000
     23      13.2373      0.00000
     24      13.2373      0.00000
     25      14.1075      0.00000
     26      14.1075      0.00000
     27      14.7377      0.00000
     28      14.7377      0.00000

 k-point    66 :       0.0625    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.5113      2.00000
      2     -14.5113      2.00000
      3     -10.4926      2.00000
      4     -10.4926      2.00000
      5      -7.7403      2.00000
      6      -7.7403      2.00000
      7      -4.2555      2.00000
      8      -4.2555      2.00000
      9      -2.9003      2.00000
     10      -2.9003      2.00000
     11      -1.4524      2.00000
     12      -1.4524      2.00000
     13      -0.2785      2.00000
     14      -0.2785      2.00000
     15       1.0144      2.00000
     16       1.0144      2.00000
     17       3.7867      2.00000
     18       3.7867      2.00000
     19       5.1492      2.00000
     20       5.1492      2.00000
     21      10.7498      0.00000
     22      10.7498      0.00000
     23      13.9750      0.00000
     24      13.9750      0.00000
     25      14.5975      0.00000
     26      14.5975      0.00000
     27      16.0113      0.00000
     28      16.0114      0.00000

 k-point    67 :       0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.4595      2.00000
      2     -14.4595      2.00000
      3     -10.6447      2.00000
      4     -10.6447      2.00000
      5      -7.6581      2.00000
      6      -7.6581      2.00000
      7      -4.2110      2.00000
      8      -4.2110      2.00000
      9      -2.9609      2.00000
     10      -2.9609      2.00000
     11      -1.5592      2.00000
     12      -1.5592      2.00000
     13      -0.1532      2.00000
     14      -0.1532      2.00000
     15       1.0375      2.00000
     16       1.0375      2.00000
     17       3.8170      2.00000
     18       3.8170      2.00000
     19       5.2031      2.00000
     20       5.2031      2.00000
     21      10.8459      0.00000
     22      10.8459      0.00000
     23      13.9701      0.00000
     24      13.9701      0.00000
     25      14.5101      0.00000
     26      14.5101      0.00000
     27      15.8591      0.00000
     28      15.8592      0.00000

 k-point    68 :       0.1875    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.3765      2.00000
      2     -14.3765      2.00000
      3     -10.8665      2.00000
      4     -10.8665      2.00000
      5      -7.5396      2.00000
      6      -7.5396      2.00000
      7      -4.1502      2.00000
      8      -4.1502      2.00000
      9      -3.0643      2.00000
     10      -3.0643      2.00000
     11      -1.6884      2.00000
     12      -1.6884      2.00000
     13       0.0106      2.00000
     14       0.0106      2.00000
     15       1.0944      2.00000
     16       1.0944      2.00000
     17       3.8445      2.00000
     18       3.8445      2.00000
     19       5.2820      2.00000
     20       5.2820      2.00000
     21      11.0031      0.00000
     22      11.0031      0.00000
     23      13.9371      0.00000
     24      13.9371      0.00000
     25      14.4025      0.00000
     26      14.4025      0.00000
     27      15.5008      0.00000
     28      15.5008      0.00000

 k-point    69 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.2684      2.00000
      2     -14.2684      2.00000
      3     -11.1245      2.00000
      4     -11.1245      2.00000
      5      -7.4024      2.00000
      6      -7.4024      2.00000
      7      -4.1001      2.00000
      8      -4.1001      2.00000
      9      -3.1728      2.00000
     10      -3.1728      2.00000
     11      -1.8429      2.00000
     12      -1.8429      2.00000
     13       0.2108      2.00000
     14       0.2108      2.00000
     15       1.1786      2.00000
     16       1.1786      2.00000
     17       3.8577      2.00000
     18       3.8577      2.00000
     19       5.3658      2.00000
     20       5.3658      2.00000
     21      11.2141      0.00000
     22      11.2141      0.00000
     23      13.8331      0.00000
     24      13.8331      0.00000
     25      14.3199      0.00000
     26      14.3199      0.00000
     27      15.1470      0.00000
     28      15.1470      0.00000

 k-point    70 :       0.3125    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.1456      2.00000
      2     -14.1456      2.00000
      3     -11.3855      2.00000
      4     -11.3855      2.00000
      5      -7.2635      2.00000
      6      -7.2635      2.00000
      7      -4.1028      2.00000
      8      -4.1028      2.00000
      9      -3.2130      2.00000
     10      -3.2130      2.00000
     11      -2.0359      2.00000
     12      -2.0359      2.00000
     13       0.4485      2.00000
     14       0.4485      2.00000
     15       1.2592      2.00000
     16       1.2592      2.00000
     17       3.8602      2.00000
     18       3.8602      2.00000
     19       5.4302      2.00000
     20       5.4302      2.00000
     21      11.4640      0.00000
     22      11.4640      0.00000
     23      13.6498      0.00000
     24      13.6498      0.00000
     25      14.2791      0.00000
     26      14.2791      0.00000
     27      14.8673      0.00000
     28      14.8673      0.00000

 k-point    71 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1     -14.0253      2.00000
      2     -14.0253      2.00000
      3     -11.6156      2.00000
      4     -11.6156      2.00000
      5      -7.1409      2.00000
      6      -7.1409      2.00000
      7      -4.1689      2.00000
      8      -4.1689      2.00000
      9      -3.1394      2.00000
     10      -3.1394      2.00000
     11      -2.2630      2.00000
     12      -2.2630      2.00000
     13       0.7044      2.00000
     14       0.7044      2.00000
     15       1.2973      2.00000
     16       1.2973      2.00000
     17       3.8636      2.00000
     18       3.8636      2.00000
     19       5.4607      2.00000
     20       5.4607      2.00000
     21      11.7258      0.00000
     22      11.7258      0.00000
     23      13.4394      0.00000
     24      13.4394      0.00000
     25      14.2419      0.00000
     26      14.2419      0.00000
     27      14.6843      0.00000
     28      14.6843      0.00000

 k-point    72 :       0.4375    0.5000    0.0000
  band No.  band energies     occupation 
      1     -13.9331      2.00000
      2     -13.9331      2.00000
      3     -11.7778      2.00000
      4     -11.7778      2.00000
      5      -7.0547      2.00000
      6      -7.0547      2.00000
      7      -4.2461      2.00000
      8      -4.2461      2.00000
      9      -2.9761      2.00000
     10      -2.9761      2.00000
     11      -2.5060      2.00000
     12      -2.5060      2.00000
     13       0.9445      2.00000
     14       0.9445      2.00000
     15       1.2631      2.00000
     16       1.2631      2.00000
     17       3.8723      2.00000
     18       3.8723      2.00000
     19       5.4638      2.00000
     20       5.4638      2.00000
     21      11.9495      0.00000
     22      11.9495      0.00000
     23      13.2588      0.00000
     24      13.2588      0.00000
     25      14.1900      0.00000
     26      14.1900      0.00000
     27      14.6015      0.00000
     28      14.6015      0.00000

 k-point    73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1     -13.8977      2.00000
      2     -13.8977      2.00000
      3     -11.8372      2.00000
      4     -11.8372      2.00000
      5      -7.0233      2.00000
      6      -7.0233      2.00000
      7      -4.2785      2.00000
      8      -4.2785      2.00000
      9      -2.8015      2.00000
     10      -2.8015      2.00000
     11      -2.7053      2.00000
     12      -2.7053      2.00000
     13       1.1106      2.00000
     14       1.1106      2.00000
     15       1.1707      2.00000
     16       1.1707      2.00000
     17       3.8775      2.00000
     18       3.8775      2.00000
     19       5.4608      2.00000
     20       5.4608      2.00000
     21      12.0457      0.00000
     22      12.0457      0.00000
     23      13.1802      0.00000
     24      13.1802      0.00000
     25      14.1635      0.00000
     26      14.1635      0.00000
     27      14.5821      0.00000
     28      14.5821      0.00000

 k-point    74 :       0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.8441      2.00000
      2     -12.1191      2.00000
      3     -11.5810      2.00000
      4     -10.9328      2.00000
      5      -6.8356      2.00000
      6      -6.0684      2.00000
      7      -5.3506      2.00000
      8      -4.1234      2.00000
      9      -3.5904      2.00000
     10      -3.1167      2.00000
     11      -2.0871      2.00000
     12      -2.0813      2.00000
     13      -0.3370      2.00000
     14       0.8849      2.00000
     15       1.0053      2.00000
     16       1.1406      2.00000
     17       3.6119      2.00000
     18       3.7727      2.00000
     19       3.8973      2.00000
     20       6.3044      2.00000
     21      10.3975      0.00000
     22      11.1099      0.00000
     23      11.9389      0.00000
     24      12.8340      0.00000
     25      13.8018      0.00000
     26      13.8814      0.00000
     27      14.2782      0.00000
     28      14.8966      0.00000

 k-point    75 :       0.1250    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.7761      2.00000
      2     -12.3680      2.00000
      3     -11.5675      2.00000
      4     -10.7094      2.00000
      5      -7.1489      2.00000
      6      -6.1537      2.00000
      7      -5.1012      2.00000
      8      -4.2298      2.00000
      9      -3.5534      2.00000
     10      -2.8730      2.00000
     11      -2.1457      2.00000
     12      -1.9804      2.00000
     13      -0.4326      2.00000
     14       0.7693      2.00000
     15       1.0119      2.00000
     16       1.2156      2.00000
     17       3.5443      2.00000
     18       3.8244      2.00000
     19       3.9843      2.00000
     20       6.2482      2.00000
     21      10.2280      0.00000
     22      11.2384      0.00000
     23      12.3668      0.00000
     24      12.7449      0.00000
     25      13.8383      0.00000
     26      14.0332      0.00000
     27      14.5817      0.00000
     28      14.8944      0.00000

 k-point    76 :       0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.6636      2.00000
      2     -12.6996      2.00000
      3     -11.4852      2.00000
      4     -10.4859      2.00000
      5      -7.4772      2.00000
      6      -6.3418      2.00000
      7      -4.8604      2.00000
      8      -4.2214      2.00000
      9      -3.5438      2.00000
     10      -2.5911      2.00000
     11      -2.2307      2.00000
     12      -1.8313      2.00000
     13      -0.5185      2.00000
     14       0.6067      2.00000
     15       0.9922      2.00000
     16       1.2976      2.00000
     17       3.4550      2.00000
     18       3.9023      2.00000
     19       4.1180      2.00000
     20       6.1544      2.00000
     21      10.0861      0.00000
     22      11.4880      0.00000
     23      12.5595      0.00000
     24      12.9062      0.00000
     25      13.9699      0.00000
     26      14.2988      0.00000
     27      14.7724      0.00000
     28      15.0501      0.00000

 k-point    77 :       0.2500    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.5076      2.00000
      2     -13.0634      2.00000
      3     -11.3535      2.00000
      4     -10.3073      2.00000
      5      -7.7587      2.00000
      6      -6.5926      2.00000
      7      -4.7370      2.00000
      8      -4.0325      2.00000
      9      -3.5637      2.00000
     10      -2.4845      2.00000
     11      -2.1668      2.00000
     12      -1.6624      2.00000
     13      -0.5626      2.00000
     14       0.4161      2.00000
     15       0.9530      2.00000
     16       1.3498      2.00000
     17       3.3918      2.00000
     18       3.9885      2.00000
     19       4.2719      2.00000
     20       6.0258      2.00000
     21      10.0264      0.00000
     22      11.8396      0.00000
     23      12.3130      0.00000
     24      13.4463      0.00000
     25      14.1617      0.00000
     26      14.6190      0.00000
     27      14.7755      0.00000
     28      15.4410      0.00000

 k-point    78 :       0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.3100      2.00000
      2     -13.4365      2.00000
      3     -11.1833      2.00000
      4     -10.2114      2.00000
      5      -7.9438      2.00000
      6      -6.8772      2.00000
      7      -4.6623      2.00000
      8      -3.8156      2.00000
      9      -3.5733      2.00000
     10      -2.5797      2.00000
     11      -1.9279      2.00000
     12      -1.5039      2.00000
     13      -0.5653      2.00000
     14       0.2214      2.00000
     15       0.9118      2.00000
     16       1.3462      2.00000
     17       3.3940      2.00000
     18       4.0600      2.00000
     19       4.4309      2.00000
     20       5.8652      2.00000
     21      10.0684      0.00000
     22      11.9607      0.00000
     23      12.3032      0.00000
     24      13.9261      0.00000
     25      14.3299      0.00000
     26      14.7783      0.00000
     27      15.0202      0.00000
     28      15.8523      0.00000

 k-point    79 :       0.3750    0.0625    0.0625
  band No.  band energies     occupation 
      1     -15.0730      2.00000
      2     -13.8053      2.00000
      3     -10.9832      2.00000
      4     -10.2277      2.00000
      5      -7.9934      2.00000
      6      -7.1732      2.00000
      7      -4.5624      2.00000
      8      -3.8719      2.00000
      9      -3.3723      2.00000
     10      -2.6813      2.00000
     11      -1.7119      2.00000
     12      -1.3947      2.00000
     13      -0.5280      2.00000
     14       0.0372      2.00000
     15       0.9001      2.00000
     16       1.2778      2.00000
     17       3.4783      2.00000
     18       4.0600      2.00000
     19       4.6275      2.00000
     20       5.6696      2.00000
     21      10.2161      0.00000
     22      11.5796      0.00000
     23      12.8067      0.00000
     24      14.1698      0.00000
     25      14.4974      0.00000
     26      14.8645      0.00000
     27      15.4014      0.00000
     28      16.2117      0.00000

 k-point    80 :       0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1     -14.7996      2.00000
      2     -14.1603      2.00000
      3     -10.7643      2.00000
      4     -10.3515      2.00000
      5      -7.9054      2.00000
      6      -7.4599      2.00000
      7      -4.4211      2.00000
      8      -4.0498      2.00000
      9      -3.1289      2.00000
     10      -2.7883      2.00000
     11      -1.5450      2.00000
     12      -1.3700      2.00000
     13      -0.4381      2.00000
     14      -0.1363      2.00000
     15       0.9428      2.00000
     16       1.1633      2.00000
     17       3.6281      2.00000
     18       3.9646      2.00000
     19       4.8799      2.00000
     20       5.4330      2.00000
     21      10.4624      0.00000
     22      11.1744      0.00000
     23      13.3457      0.00000
     24      14.1392      0.00000
     25      14.6311      0.00000
     26      14.8353      0.00000
     27      15.7698      0.00000
     28      16.1410      0.00000

 k-point    81 :       0.5000    0.0625    0.0625
  band No.  band energies     occupation 
      1     -14.4937      2.00000
      2     -14.4937      2.00000
      3     -10.5442      2.00000
      4     -10.5442      2.00000
      5      -7.7142      2.00000
      6      -7.7142      2.00000
      7      -4.2442      2.00000
      8      -4.2442      2.00000
      9      -2.9315      2.00000
     10      -2.9315      2.00000
     11      -1.4279      2.00000
     12      -1.4279      2.00000
     13      -0.2996      2.00000
     14      -0.2996      2.00000
     15       1.0392      2.00000
     16       1.0392      2.00000
     17       3.8052      2.00000
     18       3.8052      2.00000
     19       5.1611      2.00000
     20       5.1611      2.00000
     21      10.7905      0.00000
     22      10.7905      0.00000
     23      13.8396      0.00000
     24      13.8396      0.00000
     25      14.7220      0.00000
     26      14.7220      0.00000
     27      16.0029      0.00000
     28      16.0032      0.00000

 k-point    82 :       0.1250    0.1250    0.0625
  band No.  band energies     occupation 
      1     -15.7086      2.00000
      2     -12.5115      2.00000
      3     -11.6214      2.00000
      4     -10.5363      2.00000
      5      -7.4021      2.00000
      6      -6.1731      2.00000
      7      -4.9646      2.00000
      8      -4.3153      2.00000
      9      -3.4774      2.00000
     10      -2.7279      2.00000
     11      -2.0932      2.00000
     12      -1.9641      2.00000
     13      -0.5116      2.00000
     14       0.6336      2.00000
     15       1.0316      2.00000
     16       1.2934      2.00000
     17       3.5119      2.00000
     18       3.8478      2.00000
     19       4.0716      2.00000
     20       6.2052      2.00000
     21      10.1588      0.00000
     22      11.3304      0.00000
     23      12.6707      0.00000
     24      12.7731      0.00000
     25      13.8040      0.00000
     26      14.1138      0.00000
     27      14.7677      0.00000
     28      15.0473      0.00000

 k-point    83 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation 
      1     -15.5970      2.00000
      2     -12.7603      2.00000
      3     -11.5964      2.00000
      4     -10.3617      2.00000
      5      -7.6761      2.00000
      6      -6.3055      2.00000
      7      -4.8021      2.00000
      8      -4.3049      2.00000
      9      -3.4481      2.00000
     10      -2.5533      2.00000
     11      -2.0908      2.00000
     12      -1.8492      2.00000
     13      -0.5697      2.00000
     14       0.4728      2.00000
     15       0.9737      2.00000
     16       1.4156      2.00000
     17       3.4596      2.00000
     18       3.8730      2.00000
     19       4.2279      2.00000
     20       6.1296      2.00000
     21      10.0961      0.00000
     22      11.5421      0.00000
     23      12.6024      0.00000
     24      13.2005      0.00000
     25      13.8078      0.00000
     26      14.3388      0.00000
     27      14.8141      0.00000
     28      15.3862      0.00000

 k-point    84 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation 
      1     -15.4423      2.00000
      2     -13.0757      2.00000
      3     -11.4957      2.00000
      4     -10.2394      2.00000
      5      -7.8989      2.00000
      6      -6.5247      2.00000
      7      -4.7135      2.00000
      8      -4.1207      2.00000
      9      -3.4837      2.00000
     10      -2.4996      2.00000
     11      -1.9978      2.00000
     12      -1.6898      2.00000
     13      -0.5827      2.00000
     14       0.3024      2.00000
     15       0.8940      2.00000
     16       1.5057      2.00000
     17       3.4214      2.00000
     18       3.9185      2.00000
     19       4.4045      2.00000
     20       6.0186      2.00000
     21      10.0873      0.00000
     22      11.8553      0.00000
     23      12.4051      0.00000
     24      13.6339      0.00000
     25      13.9496      0.00000
     26      14.6116      0.00000
     27      14.8314      0.00000
     28      15.7859      0.00000

 k-point    85 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation 
      1     -15.2466      2.00000
      2     -13.4206      2.00000
      3     -11.3401      2.00000
      4     -10.2109      2.00000
      5      -8.0157      2.00000
      6      -6.7937      2.00000
      7      -4.6482      2.00000
      8      -3.8527      2.00000
      9      -3.5831      2.00000
     10      -2.5742      2.00000
     11      -1.8017      2.00000
     12      -1.5327      2.00000
     13      -0.5653      2.00000
     14       0.1369      2.00000
     15       0.8390      2.00000
     16       1.5177      2.00000
     17       3.4412      2.00000
     18       3.9779      2.00000
     19       4.5704      2.00000
     20       5.8703      2.00000
     21      10.1598      0.00000
     22      12.0292      0.00000
     23      12.3291      0.00000
     24      13.8574      0.00000
     25      14.2705      0.00000
     26      14.8862      0.00000
     27      14.9202      0.00000
     28      16.1627      0.00000

 k-point    86 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation 
      1     -15.0122      2.00000
      2     -13.7721      2.00000
      3     -11.1447      2.00000
      4     -10.2944      2.00000
      5      -7.9982      2.00000
      6      -7.0843      2.00000
      7      -4.5474      2.00000
      8      -3.8054      2.00000
      9      -3.5137      2.00000
     10      -2.6869      2.00000
     11      -1.6107      2.00000
     12      -1.4115      2.00000
     13      -0.5279      2.00000
     14      -0.0237      2.00000
     15       0.8527      2.00000
     16       1.4367      2.00000
     17       3.5381      2.00000
     18       4.0112      2.00000
     19       4.7388      2.00000
     20       5.6817      2.00000
     21      10.3240      0.00000
     22      11.6853      0.00000
     23      12.7560      0.00000
     24      13.9061      0.00000
     25      14.5872      0.00000
     26      14.9724      0.00000
     27      15.2840      0.00000
     28      16.1614      0.00000

 k-point    87 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation 
      1     -14.7425      2.00000
      2     -14.1159      2.00000
      3     -10.9224      2.00000
      4     -10.4678      2.00000
      5      -7.8610      2.00000
      6      -7.3741      2.00000
      7      -4.4003      2.00000
      8      -4.0041      2.00000
      9      -3.2526      2.00000
     10      -2.8306      2.00000
     11      -1.4652      2.00000
     12      -1.3564      2.00000
     13      -0.4544      2.00000
     14      -0.1841      2.00000
     15       0.9503      2.00000
     16       1.2860      2.00000
     17       3.6895      2.00000
     18       3.9696      2.00000
     19       4.9470      2.00000
     20       5.4524      2.00000
     21      10.5777      0.00000
     22      11.2889      0.00000
     23      13.2155      0.00000
     24      13.8367      0.00000
     25      14.7754      0.00000
     26      14.9862      0.00000
     27      15.6970      0.00000
     28      16.0180      0.00000

 k-point    88 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation 
      1     -14.4418      2.00000
      2     -14.4418      2.00000
      3     -10.6890      2.00000
      4     -10.6890      2.00000
      5      -7.6416      2.00000
      6      -7.6416      2.00000
      7      -4.2135      2.00000
      8      -4.2135      2.00000
      9      -3.0188      2.00000
     10      -3.0188      2.00000
     11      -1.3773      2.00000
     12      -1.3773      2.00000
     13      -0.3347      2.00000
     14      -0.3347      2.00000
     15       1.1086      2.00000
     16       1.1086      2.00000
     17       3.8497      2.00000
     18       3.8497      2.00000
     19       5.1965      2.00000
     20       5.1965      2.00000
     21      10.9076      0.00000
     22      10.9076      0.00000
     23      13.6052      0.00000
     24      13.6052      0.00000
     25      14.8949      0.00000
     26      14.8949      0.00000
     27      15.9823      0.00000
     28      15.9988      0.00000

 k-point    89 :       0.1250    0.1875    0.0625
  band No.  band energies     occupation 
      1     -15.5970      2.00000
      2     -12.7603      2.00000
      3     -11.5964      2.00000
      4     -10.3617      2.00000
      5      -7.6759      2.00000
      6      -6.3076      2.00000
      7      -4.7866      2.00000
      8      -4.3256      2.00000
      9      -3.4356      2.00000
     10      -2.5481      2.00000
     11      -2.1207      2.00000
     12      -1.8317      2.00000
     13      -0.5733      2.00000
     14       0.4600      2.00000
     15       1.0496      2.00000
     16       1.3558      2.00000
     17       3.4343      2.00000
     18       3.9382      2.00000
     19       4.1898      2.00000
     20       6.1300      2.00000
     21      10.0920      0.00000
     22      11.5497      0.00000
     23      12.5920      0.00000
     24      13.1940      0.00000
     25      13.8843      0.00000
     26      14.2671      0.00000
     27      14.8227      0.00000
     28      15.3879      0.00000

 k-point    90 :       0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1     -15.4868      2.00000
      2     -12.8979      2.00000
      3     -11.6625      2.00000
      4     -10.2511      2.00000
      5      -7.8832      2.00000
      6      -6.3577      2.00000
      7      -4.6856      2.00000
      8      -4.3590      2.00000
      9      -3.3734      2.00000
     10      -2.5007      2.00000
     11      -1.9687      2.00000
     12      -1.8231      2.00000
     13      -0.5953      2.00000
     14       0.3145      2.00000
     15       0.9896      2.00000
     16       1.4923      2.00000
     17       3.4082      2.00000
     18       3.9459      2.00000
     19       4.3464      2.00000
     20       6.0802      2.00000
     21      10.1140      0.00000
     22      11.7069      0.00000
     23      12.5947      0.00000
     24      13.5532      0.00000
     25      13.7752      0.00000
     26      14.3849      0.00000
     27      14.8702      0.00000
     28      15.7609      0.00000

 k-point    91 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation 
      1     -15.3345      2.00000
      2     -13.1229      2.00000
      3     -11.6372      2.00000
      4     -10.2113      2.00000
      5      -8.0236      2.00000
      6      -6.5055      2.00000
      7      -4.6411      2.00000
      8      -4.2166      2.00000
      9      -3.4038      2.00000
     10      -2.5013      2.00000
     11      -1.8419      2.00000
     12      -1.7216      2.00000
     13      -0.5753      2.00000
     14       0.1972      2.00000
     15       0.8857      2.00000
     16       1.6128      2.00000
     17       3.4005      2.00000
     18       3.9584      2.00000
     19       4.5326      2.00000
     20       5.9957      2.00000
     21      10.1738      0.00000
     22      11.9530      0.00000
     23      12.5081      0.00000
     24      13.6413      0.00000
     25      14.0167      0.00000
     26      14.5760      0.00000
     27      14.8926      0.00000
     28      16.1181      0.00000

 k-point    92 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1     -15.1421      2.00000
      2     -13.4098      2.00000
      3     -11.5273      2.00000
      4     -10.2748      2.00000
      5      -8.0501      2.00000
      6      -6.7259      2.00000
      7      -4.6017      2.00000
      8      -3.9661      2.00000
      9      -3.5308      2.00000
     10      -2.5760      2.00000
     11      -1.7270      2.00000
     12      -1.5532      2.00000
     13      -0.5397      2.00000
     14       0.1060      2.00000
     15       0.8166      2.00000
     16       1.6497      2.00000
     17       3.4484      2.00000
     18       3.9902      2.00000
     19       4.7059      2.00000
     20       5.8688      2.00000
     21      10.2928      0.00000
     22      12.1169      0.00000
     23      12.4416      0.00000
     24      13.6473      0.00000
     25      14.3666      0.00000
     26      14.7671      0.00000
     27      14.9690      0.00000
     28      16.2203      0.00000

 k-point    93 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation 
      1     -14.9125      2.00000
      2     -13.7258      2.00000
      3     -11.3555      2.00000
      4     -10.4356      2.00000
      5      -7.9578      2.00000
      6      -6.9881      2.00000
      7      -4.5123      2.00000
      8      -3.7455      2.00000
      9      -3.6668      2.00000
     10      -2.7123      2.00000
     11      -1.5922      2.00000
     12      -1.4214      2.00000
     13      -0.4921      2.00000
     14      -0.0044      2.00000
     15       0.8539      2.00000
     16       1.5766      2.00000
     17       3.5703      2.00000
     18       4.0179      2.00000
     19       4.8642      2.00000
     20       5.6958      2.00000
     21      10.4846      0.00000
     22      11.8435      0.00000
     23      12.7496      0.00000
     24      13.6452      0.00000
     25      14.6686      0.00000
     26      14.8461      0.00000
     27      15.2043      0.00000
     28      16.1019      0.00000

 k-point    94 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1     -14.6496      2.00000
      2     -14.0473      2.00000
      3     -11.1413      2.00000
      4     -10.6573      2.00000
      5      -7.7751      2.00000
      6      -7.2655      2.00000
      7      -4.3675      2.00000
      8      -3.9576      2.00000
      9      -3.3987      2.00000
     10      -2.9014      2.00000
     11      -1.4670      2.00000
     12      -1.3625      2.00000
     13      -0.4129      2.00000
     14      -0.1489      2.00000
     15       1.0011      2.00000
     16       1.4138      2.00000
     17       3.7373      2.00000
     18       3.9953      2.00000
     19       5.0394      2.00000
     20       5.4827      2.00000
     21      10.7521      0.00000
     22      11.4642      0.00000
     23      13.1100      0.00000
     24      13.5813      0.00000
     25      14.8453      0.00000
     26      14.9064      0.00000
     27      15.5260      0.00000
     28      16.0340      0.00000

 k-point    95 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation 
      1     -14.3588      2.00000
      2     -14.3588      2.00000
      3     -10.9019      2.00000
      4     -10.9019      2.00000
      5      -7.5354      2.00000
      6      -7.5354      2.00000
      7      -4.1770      2.00000
      8      -4.1770      2.00000
      9      -3.1346      2.00000
     10      -3.1346      2.00000
     11      -1.3821      2.00000
     12      -1.3821      2.00000
     13      -0.2947      2.00000
     14      -0.2947      2.00000
     15       1.2057      2.00000
     16       1.2057      2.00000
     17       3.8953      2.00000
     18       3.8953      2.00000
     19       5.2522      2.00000
     20       5.2522      2.00000
     21      11.0863      0.00000
     22      11.0863      0.00000
     23      13.4051      0.00000
     24      13.4051      0.00000
     25      14.9110      0.00000
     26      14.9110      0.00000
     27      15.9069      0.00000
     28      15.9101      0.00000

 k-point    96 :       0.1250    0.2500    0.0625
  band No.  band energies     occupation 
      1     -15.4423      2.00000
      2     -13.0757      2.00000
      3     -11.4956      2.00000
      4     -10.2394      2.00000
      5      -7.8987      2.00000
      6      -6.5288      2.00000
      7      -4.6790      2.00000
      8      -4.1756      2.00000
      9      -3.4444      2.00000
     10      -2.4743      2.00000
     11      -2.0855      2.00000
     12      -1.6543      2.00000
     13      -0.5876      2.00000
     14       0.2881      2.00000
     15       1.0463      2.00000
     16       1.3787      2.00000
     17       3.3782      2.00000
     18       4.0305      2.00000
     19       4.3401      2.00000
     20       6.0207      2.00000
     21      10.0767      0.00000
     22      11.8807      0.00000
     23      12.3797      0.00000
     24      13.6511      0.00000
     25      14.0506      0.00000
     26      14.4837      0.00000
     27      14.8682      0.00000
     28      15.7673      0.00000

 k-point    97 :       0.1875    0.2500    0.0625
  band No.  band energies     occupation 
      1     -15.3345      2.00000
      2     -13.1229      2.00000
      3     -11.6371      2.00000
      4     -10.2113      2.00000
      5      -8.0237      2.00000
      6      -6.5102      2.00000
      7      -4.5827      2.00000
      8      -4.2907      2.00000
      9      -3.3645      2.00000
     10      -2.4752      2.00000
     11      -1.9824      2.00000
     12      -1.6481      2.00000
     13      -0.5742      2.00000
     14       0.1973      2.00000
     15       1.0055      2.00000
     16       1.5063      2.00000
     17       3.3649      2.00000
     18       4.0469      2.00000
     19       4.4848      2.00000
     20       5.9990      2.00000
     21      10.1606      0.00000
     22      11.9862      0.00000
     23      12.4676      0.00000
     24      13.8245      0.00000
     25      13.9267      0.00000
     26      14.4890      0.00000
     27      14.9334      0.00000
     28      16.0736      0.00000

 k-point    98 :       0.2500    0.2500    0.0625
  band No.  band energies     occupation 
      1     -15.1858      2.00000
      2     -13.2368      2.00000
      3     -11.7112      2.00000
      4     -10.2703      2.00000
      5      -8.0677      2.00000
      6      -6.5710      2.00000
      7      -4.5325      2.00000
      8      -4.2535      2.00000
      9      -3.3797      2.00000
     10      -2.4947      2.00000
     11      -1.9225      2.00000
     12      -1.5890      2.00000
     13      -0.5222      2.00000
     14       0.1774      2.00000
     15       0.8963      2.00000
     16       1.6472      2.00000
     17       3.3714      2.00000
     18       4.0523      2.00000
     19       4.6655      2.00000
     20       5.9457      2.00000
     21      10.2828      0.00000
     22      12.1496      0.00000
     23      12.5355      0.00000
     24      13.6242      0.00000
     25      14.1563      0.00000
     26      14.5495      0.00000
     27      14.9661      0.00000
     28      16.1728      0.00000

 k-point    99 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation 
      1     -14.9987      2.00000
      2     -13.4300      2.00000
      3     -11.6853      2.00000
      4     -10.4242      2.00000
      5      -8.0081      2.00000
      6      -6.7126      2.00000
      7      -4.5269      2.00000
      8      -4.0564      2.00000
      9      -3.5018      2.00000
     10      -2.5685      2.00000
     11      -1.8764      2.00000
     12      -1.4888      2.00000
     13      -0.4483      2.00000
     14       0.1941      2.00000
     15       0.8236      2.00000
     16       1.7151      2.00000
     17       3.4312      2.00000
     18       4.0646      2.00000
     19       4.8370      2.00000
     20       5.8479      2.00000
     21      10.4521      0.00000
     22      12.2368      0.00000
     23      12.6046      0.00000
     24      13.4881      0.00000
     25      14.3792      0.00000
     26      14.5843      0.00000
     27      15.0255      0.00000
     28      16.1181      0.00000

 k-point   100 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation 
      1     -14.7767      2.00000
      2     -13.6827      2.00000
      3     -11.5674      2.00000
      4     -10.6459      2.00000
      5      -7.8601      2.00000
      6      -6.9168      2.00000
      7      -4.4680      2.00000
      8      -3.8394      2.00000
      9      -3.6619      2.00000
     10      -2.7296      2.00000
     11      -1.7776      2.00000
     12      -1.4268      2.00000
     13      -0.3517      2.00000
     14       0.1494      2.00000
     15       0.8862      2.00000
     16       1.6691      2.00000
     17       3.5655      2.00000
     18       4.0709      2.00000
     19       4.9877      2.00000
     20       5.7010      2.00000
     21      10.6777      0.00000
     22      12.0298      0.00000
     23      12.8227      0.00000
     24      13.4439      0.00000
     25      14.5420      0.00000
     26      14.6747      0.00000
     27      15.1083      0.00000
     28      16.0691      0.00000

 k-point   101 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation 
      1     -14.5248      2.00000
      2     -13.9643      2.00000
      3     -11.3818      2.00000
      4     -10.8987      2.00000
      5      -7.6523      2.00000
      6      -7.1579      2.00000
      7      -4.3429      2.00000
      8      -3.9555      2.00000
      9      -3.4949      2.00000
     10      -2.9584      2.00000
     11      -1.6447      2.00000
     12      -1.4382      2.00000
     13      -0.2339      2.00000
     14       0.0334      2.00000
     15       1.0727      2.00000
     16       1.5182      2.00000
     17       3.7486      2.00000
     18       4.0333      2.00000
     19       5.1396      2.00000
     20       5.5152      2.00000
     21      10.9639      0.00000
     22      11.6779      0.00000
     23      13.0772      0.00000
     24      13.4025      0.00000
     25      14.6336      0.00000
     26      14.7697      0.00000
     27      15.3058      0.00000
     28      15.9664      0.00000

 k-point   102 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation 
      1     -14.2505      2.00000
      2     -14.2505      2.00000
      3     -11.1519      2.00000
      4     -11.1519      2.00000
      5      -7.4107      2.00000
      6      -7.4107      2.00000
      7      -4.1644      2.00000
      8      -4.1644      2.00000
      9      -3.2224      2.00000
     10      -3.2224      2.00000
     11      -1.5193      2.00000
     12      -1.5193      2.00000
     13      -0.1023      2.00000
     14      -0.1023      2.00000
     15       1.3033      2.00000
     16       1.3033      2.00000
     17       3.9217      2.00000
     18       3.9217      2.00000
     19       5.3178      2.00000
     20       5.3178      2.00000
     21      11.3049      0.00000
     22      11.3049      0.00000
     23      13.2835      0.00000
     24      13.2835      0.00000
     25      14.7290      0.00000
     26      14.7290      0.00000
     27      15.6458      0.00000
     28      15.6459      0.00000

 k-point   103 :       0.1250    0.3125    0.0625
  band No.  band energies     occupation 
      1     -15.2466      2.00000
      2     -13.4206      2.00000
      3     -11.3399      2.00000
      4     -10.2109      2.00000
      5      -8.0158      2.00000
      6      -6.7986      2.00000
      7      -4.6103      2.00000
      8      -3.9523      2.00000
      9      -3.4903      2.00000
     10      -2.5502      2.00000
     11      -1.9311      2.00000
     12      -1.4972      2.00000
     13      -0.5546      2.00000
     14       0.1524      2.00000
     15       1.0166      2.00000
     16       1.3512      2.00000
     17       3.3916      2.00000
     18       4.0906      2.00000
     19       4.5096      2.00000
     20       5.8764      2.00000
     21      10.1426      0.00000
     22      12.0332      0.00000
     23      12.3441      0.00000
     24      13.9945      0.00000
     25      14.2503      0.00000
     26      14.7057      0.00000
     27      15.0227      0.00000
     28      16.0751      0.00000

 k-point   104 :       0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1     -15.1421      2.00000
      2     -13.4098      2.00000
      3     -11.5271      2.00000
      4     -10.2747      2.00000
      5      -8.0507      2.00000
      6      -6.7337      2.00000
      7      -4.5235      2.00000
      8      -4.0981      2.00000
      9      -3.4248      2.00000
     10      -2.5348      2.00000
     11      -1.9452      2.00000
     12      -1.5106      2.00000
     13      -0.4994      2.00000
     14       0.1520      2.00000
     15       1.0041      2.00000
     16       1.4565      2.00000
     17       3.3902      2.00000
     18       4.1102      2.00000
     19       4.6460      2.00000
     20       5.8805      2.00000
     21      10.2635      0.00000
     22      12.1375      0.00000
     23      12.4419      0.00000
     24      14.0011      0.00000
     25      14.1207      0.00000
     26      14.6362      0.00000
     27      15.0480      0.00000
     28      16.0457      0.00000

 k-point   105 :       0.2500    0.3125    0.0625
  band No.  band energies     occupation 
      1     -14.9987      2.00000
      2     -13.4300      2.00000
      3     -11.6851      2.00000
      4     -10.4241      2.00000
      5      -8.0089      2.00000
      6      -6.7183      2.00000
      7      -4.4501      2.00000
      8      -4.1618      2.00000
      9      -3.4323      2.00000
     10      -2.5259      2.00000
     11      -2.0143      2.00000
     12      -1.5118      2.00000
     13      -0.3942      2.00000
     14       0.2382      2.00000
     15       0.9142      2.00000
     16       1.6043      2.00000
     17       3.4015      2.00000
     18       4.1169      2.00000
     19       4.8119      2.00000
     20       5.8590      2.00000
     21      10.4288      0.00000
     22      12.2478      0.00000
     23      12.6007      0.00000
     24      13.7312      0.00000
     25      14.1875      0.00000
     26      14.5482      0.00000
     27      15.0311      0.00000
     28      15.9908      0.00000

 k-point   106 :       0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1     -14.8194      2.00000
      2     -13.5119      2.00000
      3     -11.7626      2.00000
      4     -10.6432      2.00000
      5      -7.8903      2.00000
      6      -6.7701      2.00000
      7      -4.4555      2.00000
      8      -4.0539      2.00000
      9      -3.5339      2.00000
     10      -2.5400      2.00000
     11      -2.1039      2.00000
     12      -1.5002      2.00000
     13      -0.2538      2.00000
     14       0.3582      2.00000
     15       0.8527      2.00000
     16       1.7006      2.00000
     17       3.4532      2.00000
     18       4.1183      2.00000
     19       4.9707      2.00000
     20       5.7955      2.00000
     21      10.6381      0.00000
     22      12.3058      0.00000
     23      12.7897      0.00000
     24      13.4536      0.00000
     25      14.2503      0.00000
     26      14.5073      0.00000
     27      14.9773      0.00000
     28      15.9460      0.00000

 k-point   107 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation 
      1     -14.6090      2.00000
      2     -13.6688      2.00000
      3     -11.7330      2.00000
      4     -10.9000      2.00000
      5      -7.7149      2.00000
      6      -6.8918      2.00000
      7      -4.4412      2.00000
      8      -3.9251      2.00000
      9      -3.6319      2.00000
     10      -2.6888      2.00000
     11      -2.0661      2.00000
     12      -1.5282      2.00000
     13      -0.0966      2.00000
     14       0.3949      2.00000
     15       0.9285      2.00000
     16       1.6927      2.00000
     17       3.5722      2.00000
     18       4.1051      2.00000
     19       5.1068      2.00000
     20       5.6837      2.00000
     21      10.8934      0.00000
     22      12.1929      0.00000
     23      12.9635      0.00000
     24      13.3268      0.00000
     25      14.2707      0.00000
     26      14.5645      0.00000
     27      14.9469      0.00000
     28      15.8655      0.00000

 k-point   108 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1     -14.3747      2.00000
      2     -13.8838      2.00000
      3     -11.6055      2.00000
      4     -11.1633      2.00000
      5      -7.5053      2.00000
      6      -7.0704      2.00000
      7      -4.3568      2.00000
      8      -4.0297      2.00000
      9      -3.4799      2.00000
     10      -2.9404      2.00000
     11      -1.9249      2.00000
     12      -1.6194      2.00000
     13       0.0605      2.00000
     14       0.3238      2.00000
     15       1.1349      2.00000
     16       1.5726      2.00000
     17       3.7466      2.00000
     18       4.0479      2.00000
     19       5.2347      2.00000
     20       5.5354      2.00000
     21      11.1956      0.00000
     22      11.8958      0.00000
     23      13.1179      0.00000
     24      13.3120      0.00000
     25      14.3371      0.00000
     26      14.5556      0.00000
     27      15.0684      0.00000
     28      15.6343      0.00000

 k-point   109 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation 
      1     -14.1274      2.00000
      2     -14.1274      2.00000
      3     -11.4067      2.00000
      4     -11.4067      2.00000
      5      -7.2831      2.00000
      6      -7.2831      2.00000
      7      -4.2094      2.00000
      8      -4.2094      2.00000
      9      -3.2176      2.00000
     10      -3.2176      2.00000
     11      -1.7616      2.00000
     12      -1.7616      2.00000
     13       0.2045      2.00000
     14       0.2045      2.00000
     15       1.3710      2.00000
     16       1.3710      2.00000
     17       3.9230      2.00000
     18       3.9230      2.00000
     19       5.3775      2.00000
     20       5.3775      2.00000
     21      11.5385      0.00000
     22      11.5385      0.00000
     23      13.2476      0.00000
     24      13.2476      0.00000
     25      14.4556      0.00000
     26      14.4556      0.00000
     27      15.3261      0.00000
     28      15.3261      0.00000

 k-point   110 :       0.1250    0.3750    0.0625
  band No.  band energies     occupation 
      1     -15.0122      2.00000
      2     -13.7722      2.00000
      3     -11.1445      2.00000
      4     -10.2943      2.00000
      5      -7.9990      2.00000
      6      -7.0889      2.00000
      7      -4.5130      2.00000
      8      -3.8758      2.00000
      9      -3.4374      2.00000
     10      -2.6692      2.00000
     11      -1.7660      2.00000
     12      -1.4182      2.00000
     13      -0.4675      2.00000
     14       0.0559      2.00000
     15       0.9850      2.00000
     16       1.2726      2.00000
     17       3.4889      2.00000
     18       4.0828      2.00000
     19       4.7086      2.00000
     20       5.6937      2.00000
     21      10.3022      0.00000
     22      11.6705      0.00000
     23      12.8232      0.00000
     24      14.1329      0.00000
     25      14.4415      0.00000
     26      14.8422      0.00000
     27      15.3109      0.00000
     28      16.0366      0.00000

 k-point   111 :       0.1875    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.9125      2.00000
      2     -13.7259      2.00000
      3     -11.3551      2.00000
      4     -10.4352      2.00000
      5      -7.9597      2.00000
      6      -6.9966      2.00000
      7      -4.4373      2.00000
      8      -3.9389      2.00000
      9      -3.4731      2.00000
     10      -2.6778      2.00000
     11      -1.8454      2.00000
     12      -1.4763      2.00000
     13      -0.3557      2.00000
     14       0.1449      2.00000
     15       0.9976      2.00000
     16       1.3557      2.00000
     17       3.4987      2.00000
     18       4.1020      2.00000
     19       4.8334      2.00000
     20       5.7204      2.00000
     21      10.4426      0.00000
     22      11.8133      0.00000
     23      12.8691      0.00000
     24      14.0912      0.00000
     25      14.2723      0.00000
     26      14.7498      0.00000
     27      15.1509      0.00000
     28      15.9481      0.00000

 k-point   112 :       0.2500    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.7767      2.00000
      2     -13.6827      2.00000
      3     -11.5670      2.00000
      4     -10.6456      2.00000
      5      -7.8625      2.00000
      6      -6.9256      2.00000
      7      -4.3753      2.00000
      8      -4.0123      2.00000
      9      -3.5028      2.00000
     10      -2.6787      2.00000
     11      -1.9906      2.00000
     12      -1.5357      2.00000
     13      -0.1925      2.00000
     14       0.3033      2.00000
     15       0.9544      2.00000
     16       1.4954      2.00000
     17       3.5103      2.00000
     18       4.1094      2.00000
     19       4.9779      2.00000
     20       5.7303      2.00000
     21      10.6323      0.00000
     22      11.9893      0.00000
     23      12.9521      0.00000
     24      13.8703      0.00000
     25      14.1778      0.00000
     26      14.6056      0.00000
     27      14.9778      0.00000
     28      15.7979      0.00000

 k-point   113 :       0.3125    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.6090      2.00000
      2     -13.6688      2.00000
      3     -11.7328      2.00000
      4     -10.8998      2.00000
      5      -7.7166      2.00000
      6      -6.8970      2.00000
      7      -4.3919      2.00000
      8      -3.9976      2.00000
      9      -3.5628      2.00000
     10      -2.6205      2.00000
     11      -2.2093      2.00000
     12      -1.5991      2.00000
     13       0.0042      2.00000
     14       0.4991      2.00000
     15       0.9249      2.00000
     16       1.6059      2.00000
     17       3.5436      2.00000
     18       4.1047      2.00000
     19       5.1127      2.00000
     20       5.7044      2.00000
     21      10.8658      0.00000
     22      12.1566      0.00000
     23      13.0575      0.00000
     24      13.5350      0.00000
     25      14.1686      0.00000
     26      14.4820      0.00000
     27      14.8279      0.00000
     28      15.6542      0.00000

 k-point   114 :       0.3750    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.4165      2.00000
      2     -13.7139      2.00000
      3     -11.8083      2.00000
      4     -11.1678      2.00000
      5      -7.5395      2.00000
      6      -6.9271      2.00000
      7      -4.4259      2.00000
      8      -4.0172      2.00000
      9      -3.5372      2.00000
     10      -2.5901      2.00000
     11      -2.3738      2.00000
     12      -1.7054      2.00000
     13       0.2082      2.00000
     14       0.6509      2.00000
     15       0.9719      2.00000
     16       1.6329      2.00000
     17       3.6257      2.00000
     18       4.0816      2.00000
     19       5.2227      2.00000
     20       5.6346      2.00000
     21      11.1375      0.00000
     22      12.2174      0.00000
     23      13.1218      0.00000
     24      13.3326      0.00000
     25      14.1472      0.00000
     26      14.4034      0.00000
     27      14.7611      0.00000
     28      15.4897      0.00000

 k-point   115 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.2100      2.00000
      2     -13.8316      2.00000
      3     -11.7713      2.00000
      4     -11.4214      2.00000
      5      -7.3501      2.00000
      6      -7.0214      2.00000
      7      -4.3998      2.00000
      8      -4.1531      2.00000
      9      -3.3548      2.00000
     10      -2.8258      2.00000
     11      -2.2438      2.00000
     12      -1.8622      2.00000
     13       0.3963      2.00000
     14       0.6492      2.00000
     15       1.1583      2.00000
     16       1.5524      2.00000
     17       3.7595      2.00000
     18       4.0207      2.00000
     19       5.3176      2.00000
     20       5.5312      2.00000
     21      11.4413      0.00000
     22      12.0602      0.00000
     23      13.1594      0.00000
     24      13.3115      0.00000
     25      14.1561      0.00000
     26      14.3204      0.00000
     27      14.8291      0.00000
     28      15.2517      0.00000

 k-point   116 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation 
      1     -14.0067      2.00000
      2     -14.0067      2.00000
      3     -11.6326      2.00000
      4     -11.6326      2.00000
      5      -7.1695      2.00000
      6      -7.1695      2.00000
      7      -4.3009      2.00000
      8      -4.3009      2.00000
      9      -3.1020      2.00000
     10      -3.1020      2.00000
     11      -2.0509      2.00000
     12      -2.0509      2.00000
     13       0.5497      2.00000
     14       0.5497      2.00000
     15       1.3796      2.00000
     16       1.3796      2.00000
     17       3.9072      2.00000
     18       3.9072      2.00000
     19       5.4190      2.00000
     20       5.4190      2.00000
     21      11.7634      0.00000
     22      11.7634      0.00000
     23      13.2537      0.00000
     24      13.2537      0.00000
     25      14.2264      0.00000
     26      14.2264      0.00000
     27      15.0069      0.00000
     28      15.0069      0.00000

 k-point   117 :       0.1250    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.7425      2.00000
      2     -14.1159      2.00000
      3     -10.9221      2.00000
      4     -10.4675      2.00000
      5      -7.8627      2.00000
      6      -7.3779      2.00000
      7      -4.3728      2.00000
      8      -4.0117      2.00000
      9      -3.2267      2.00000
     10      -2.8167      2.00000
     11      -1.6246      2.00000
     12      -1.4338      2.00000
     13      -0.3271      2.00000
     14      -0.0407      2.00000
     15       0.9918      2.00000
     16       1.1628      2.00000
     17       3.6490      2.00000
     18       3.9890      2.00000
     19       4.9487      2.00000
     20       5.4697      2.00000
     21      10.5544      0.00000
     22      11.2700      0.00000
     23      13.3405      0.00000
     24      14.1004      0.00000
     25      14.5426      0.00000
     26      14.8130      0.00000
     27      15.5765      0.00000
     28      16.0388      0.00000

 k-point   118 :       0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.6496      2.00000
      2     -14.0474      2.00000
      3     -11.1408      2.00000
      4     -10.6568      2.00000
      5      -7.7787      2.00000
      6      -7.2729      2.00000
      7      -4.3070      2.00000
      8      -3.9844      2.00000
      9      -3.3432      2.00000
     10      -2.8768      2.00000
     11      -1.7266      2.00000
     12      -1.5241      2.00000
     13      -0.1717      2.00000
     14       0.1065      2.00000
     15       1.0238      2.00000
     16       1.2283      2.00000
     17       3.6674      2.00000
     18       4.0107      2.00000
     19       5.0510      2.00000
     20       5.5190      2.00000
     21      10.7044      0.00000
     22      11.4235      0.00000
     23      13.3416      0.00000
     24      14.0356      0.00000
     25      14.4002      0.00000
     26      14.7279      0.00000
     27      15.2415      0.00000
     28      15.8136      0.00000

 k-point   119 :       0.2500    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.5248      2.00000
      2     -13.9644      2.00000
      3     -11.3813      2.00000
      4     -10.8982      2.00000
      5      -7.6569      2.00000
      6      -7.1667      2.00000
      7      -4.2641      2.00000
      8      -3.9979      2.00000
      9      -3.4269      2.00000
     10      -2.9241      2.00000
     11      -1.8809      2.00000
     12      -1.6248      2.00000
     13       0.0248      2.00000
     14       0.2988      2.00000
     15       1.0438      2.00000
     16       1.3446      2.00000
     17       3.6780      2.00000
     18       4.0191      2.00000
     19       5.1653      2.00000
     20       5.5617      2.00000
     21      10.9060      0.00000
     22      11.6230      0.00000
     23      13.3499      0.00000
     24      13.8800      0.00000
     25      14.2534      0.00000
     26      14.6167      0.00000
     27      14.9434      0.00000
     28      15.4891      0.00000

 k-point   120 :       0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.3747      2.00000
      2     -13.8838      2.00000
      3     -11.6052      2.00000
      4     -11.1629      2.00000
      5      -7.5094      2.00000
      6      -7.0776      2.00000
      7      -4.3008      2.00000
      8      -4.0461      2.00000
      9      -3.4379      2.00000
     10      -2.8888      2.00000
     11      -2.0986      2.00000
     12      -1.7512      2.00000
     13       0.2546      2.00000
     14       0.5292      2.00000
     15       1.0696      2.00000
     16       1.4485      2.00000
     17       3.6922      2.00000
     18       4.0138      2.00000
     19       5.2657      2.00000
     20       5.5769      2.00000
     21      11.1490      0.00000
     22      11.8436      0.00000
     23      13.3464      0.00000
     24      13.6155      0.00000
     25      14.2009      0.00000
     26      14.4806      0.00000
     27      14.7090      0.00000
     28      15.2624      0.00000

 k-point   121 :       0.3750    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.2101      2.00000
      2     -13.8316      2.00000
      3     -11.7711      2.00000
      4     -11.4212      2.00000
      5      -7.3523      2.00000
      6      -7.0249      2.00000
      7      -4.3795      2.00000
      8      -4.1499      2.00000
      9      -3.3379      2.00000
     10      -2.7624      2.00000
     11      -2.3544      2.00000
     12      -1.9213      2.00000
     13       0.4924      2.00000
     14       0.7772      2.00000
     15       1.0839      2.00000
     16       1.4918      2.00000
     17       3.7311      2.00000
     18       3.9954      2.00000
     19       5.3374      2.00000
     20       5.5537      2.00000
     21      11.4195      0.00000
     22      12.0319      0.00000
     23      13.2622      0.00000
     24      13.4209      0.00000
     25      14.1914      0.00000
     26      14.3189      0.00000
     27      14.6027      0.00000
     28      15.0689      0.00000

 k-point   122 :       0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1     -14.0480      2.00000
      2     -13.8371      2.00000
      3     -11.8400      2.00000
      4     -11.6423      2.00000
      5      -7.2049      2.00000
      6      -7.0263      2.00000
      7      -4.4198      2.00000
      8      -4.2834      2.00000
      9      -3.1464      2.00000
     10      -2.6589      2.00000
     11      -2.5434      2.00000
     12      -2.1272      2.00000
     13       0.7079      2.00000
     14       0.9417      2.00000
     15       1.1296      2.00000
     16       1.4440      2.00000
     17       3.8032      2.00000
     18       3.9566      2.00000
     19       5.3884      2.00000
     20       5.5005      2.00000
     21      11.6978      0.00000
     22      12.0864      0.00000
     23      13.1676      0.00000
     24      13.3259      0.00000
     25      14.1754      0.00000
     26      14.2079      0.00000
     27      14.6162      0.00000
     28      14.8801      0.00000

 k-point   123 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.9141      2.00000
      2     -13.9141      2.00000
      3     -11.7926      2.00000
      4     -11.7926      2.00000
      5      -7.0894      2.00000
      6      -7.0894      2.00000
      7      -4.3859      2.00000
      8      -4.3859      2.00000
      9      -2.9055      2.00000
     10      -2.9055      2.00000
     11      -2.3479      2.00000
     12      -2.3479      2.00000
     13       0.8734      2.00000
     14       0.8734      2.00000
     15       1.3053      2.00000
     16       1.3053      2.00000
     17       3.8887      2.00000
     18       3.8887      2.00000
     19       5.4400      2.00000
     20       5.4400      2.00000
     21      11.9471      0.00000
     22      11.9471      0.00000
     23      13.2195      0.00000
     24      13.2195      0.00000
     25      14.1678      0.00000
     26      14.1678      0.00000
     27      14.7194      0.00000
     28      14.7194      0.00000

 k-point   124 :       0.1250    0.5000    0.0625
  band No.  band energies     occupation 
      1     -14.4418      2.00000
      2     -14.4418      2.00000
      3     -10.6886      2.00000
      4     -10.6886      2.00000
      5      -7.6443      2.00000
      6      -7.6443      2.00000
      7      -4.1980      2.00000
      8      -4.1980      2.00000
      9      -3.0043      2.00000
     10      -3.0043      2.00000
     11      -1.5115      2.00000
     12      -1.5115      2.00000
     13      -0.1713      2.00000
     14      -0.1713      2.00000
     15       1.0570      2.00000
     16       1.0570      2.00000
     17       3.8308      2.00000
     18       3.8308      2.00000
     19       5.2129      2.00000
     20       5.2129      2.00000
     21      10.8856      0.00000
     22      10.8856      0.00000
     23      13.8120      0.00000
     24      13.8120      0.00000
     25      14.6620      0.00000
     26      14.6620      0.00000
     27      15.8268      0.00000
     28      15.8268      0.00000

 k-point   125 :       0.1875    0.5000    0.0625
  band No.  band energies     occupation 
      1     -14.3588      2.00000
      2     -14.3588      2.00000
      3     -10.9013      2.00000
      4     -10.9013      2.00000
      5      -7.5409      2.00000
      6      -7.5409      2.00000
      7      -4.1441      2.00000
      8      -4.1441      2.00000
      9      -3.1104      2.00000
     10      -3.1104      2.00000
     11      -1.6145      2.00000
     12      -1.6145      2.00000
     13      -0.0032      2.00000
     14      -0.0032      2.00000
     15       1.1062      2.00000
     16       1.1062      2.00000
     17       3.8533      2.00000
     18       3.8533      2.00000
     19       5.2879      2.00000
     20       5.2879      2.00000
     21      11.0399      0.00000
     22      11.0399      0.00000
     23      13.7653      0.00000
     24      13.7653      0.00000
     25      14.5628      0.00000
     26      14.5628      0.00000
     27      15.4808      0.00000
     28      15.4808      0.00000

 k-point   126 :       0.2500    0.5000    0.0625
  band No.  band energies     occupation 
      1     -14.2505      2.00000
      2     -14.2505      2.00000
      3     -11.1513      2.00000
      4     -11.1513      2.00000
      5      -7.4177      2.00000
      6      -7.4177      2.00000
      7      -4.1228      2.00000
      8      -4.1228      2.00000
      9      -3.1943      2.00000
     10      -3.1943      2.00000
     11      -1.7479      2.00000
     12      -1.7479      2.00000
     13       0.2006      2.00000
     14       0.2006      2.00000
     15       1.1830      2.00000
     16       1.1830      2.00000
     17       3.8629      2.00000
     18       3.8629      2.00000
     19       5.3663      2.00000
     20       5.3663      2.00000
     21      11.2450      0.00000
     22      11.2450      0.00000
     23      13.6849      0.00000
     24      13.6849      0.00000
     25      14.4427      0.00000
     26      14.4427      0.00000
     27      15.1531      0.00000
     28      15.1531      0.00000

 k-point   127 :       0.3125    0.5000    0.0625
  band No.  band energies     occupation 
      1     -14.1274      2.00000
      2     -14.1274      2.00000
      3     -11.4063      2.00000
      4     -11.4063      2.00000
      5      -7.2894      2.00000
      6      -7.2894      2.00000
      7      -4.1753      2.00000
      8      -4.1753      2.00000
      9      -3.1848      2.00000
     10      -3.1848      2.00000
     11      -1.9271      2.00000
     12      -1.9271      2.00000
     13       0.4405      2.00000
     14       0.4405      2.00000
     15       1.2582      2.00000
     16       1.2582      2.00000
     17       3.8637      2.00000
     18       3.8637      2.00000
     19       5.4249      2.00000
     20       5.4249      2.00000
     21      11.4848      0.00000
     22      11.4848      0.00000
     23      13.5540      0.00000
     24      13.5540      0.00000
     25      14.3457      0.00000
     26      14.3457      0.00000
     27      14.8894      0.00000
     28      14.8894      0.00000

 k-point   128 :       0.3750    0.5000    0.0625
  band No.  band energies     occupation 
      1     -14.0067      2.00000
      2     -14.0067      2.00000
      3     -11.6324      2.00000
      4     -11.6324      2.00000
      5      -7.1735      2.00000
      6      -7.1735      2.00000
      7      -4.2828      2.00000
      8      -4.2828      2.00000
      9      -3.0681      2.00000
     10      -3.0681      2.00000
     11      -2.1469      2.00000
     12      -2.1469      2.00000
     13       0.6978      2.00000
     14       0.6978      2.00000
     15       1.2928      2.00000
     16       1.2928      2.00000
     17       3.8667      2.00000
     18       3.8667      2.00000
     19       5.4504      2.00000
     20       5.4504      2.00000
     21      11.7321      0.00000
     22      11.7321      0.00000
     23      13.3902      0.00000
     24      13.3902      0.00000
     25      14.2862      0.00000
     26      14.2862      0.00000
     27      14.6975      0.00000
     28      14.6975      0.00000

 k-point   129 :       0.4375    0.5000    0.0625
  band No.  band energies     occupation 
      1     -13.9141      2.00000
      2     -13.9141      2.00000
      3     -11.7925      2.00000
      4     -11.7925      2.00000
      5      -7.0906      2.00000
      6      -7.0906      2.00000
      7      -4.3810      2.00000
      8      -4.3810      2.00000
      9      -2.8821      2.00000
     10      -2.8821      2.00000
     11      -2.3869      2.00000
     12      -2.3869      2.00000
     13       0.9394      2.00000
     14       0.9394      2.00000
     15       1.2559      2.00000
     16       1.2559      2.00000
     17       3.8754      2.00000
     18       3.8754      2.00000
     19       5.4501      2.00000
     20       5.4501      2.00000
     21      11.9385      0.00000
     22      11.9385      0.00000
     23      13.2435      0.00000
     24      13.2435      0.00000
     25      14.2408      0.00000
     26      14.2408      0.00000
     27      14.5929      0.00000
     28      14.5929      0.00000

 k-point   130 :       0.5000    0.5000    0.0625
  band No.  band energies     occupation 
      1     -13.8785      2.00000
      2     -13.8785      2.00000
      3     -11.8513      2.00000
      4     -11.8513      2.00000
      5      -7.0602      2.00000
      6      -7.0602      2.00000
      7      -4.4196      2.00000
      8      -4.4196      2.00000
      9      -2.7097      2.00000
     10      -2.7097      2.00000
     11      -2.5765      2.00000
     12      -2.5765      2.00000
     13       1.1157      2.00000
     14       1.1157      2.00000
     15       1.1529      2.00000
     16       1.1529      2.00000
     17       3.8808      2.00000
     18       3.8808      2.00000
     19       5.4459      2.00000
     20       5.4459      2.00000
     21      12.0250      0.00000
     22      12.0250      0.00000
     23      13.1799      0.00000
     24      13.1799      0.00000
     25      14.2189      0.00000
     26      14.2189      0.00000
     27      14.5644      0.00000
     28      14.5644      0.00000

 k-point   131 :       0.1250    0.1250    0.1250
  band No.  band energies     occupation 
      1     -15.6416      2.00000
      2     -12.6101      2.00000
      3     -11.6861      2.00000
      4     -10.4103      2.00000
      5      -7.6050      2.00000
      6      -6.1809      2.00000
      7      -4.8933      2.00000
      8      -4.3662      2.00000
      9      -3.4102      2.00000
     10      -2.6263      2.00000
     11      -1.9895      2.00000
     12      -1.9607      2.00000
     13      -0.5855      2.00000
     14       0.4547      2.00000
     15       1.1515      2.00000
     16       1.3108      2.00000
     17       3.4994      2.00000
     18       3.8765      2.00000
     19       4.1375      2.00000
     20       6.1716      2.00000
     21      10.1342      0.00000
     22      11.4039      0.00000
     23      12.6968      0.00000
     24      13.0404      0.00000
     25      13.8853      0.00000
     26      14.0818      0.00000
     27      14.7753      0.00000
     28      15.3449      0.00000

 k-point   132 :       0.1875    0.1250    0.1250
  band No.  band energies     occupation 
      1     -15.5308      2.00000
      2     -12.8057      2.00000
      3     -11.6887      2.00000
      4     -10.2854      2.00000
      5      -7.8285      2.00000
      6      -6.2900      2.00000
      7      -4.7808      2.00000
      8      -4.3547      2.00000
      9      -3.3780      2.00000
     10      -2.4995      2.00000
     11      -1.9940      2.00000
     12      -1.8022      2.00000
     13      -0.6313      2.00000
     14       0.2690      2.00000
     15       1.1565      2.00000
     16       1.4000      2.00000
     17       3.4528      2.00000
     18       3.9241      2.00000
     19       4.2694      2.00000
     20       6.1093      2.00000
     21      10.1178      0.00000
     22      11.5846      0.00000
     23      12.6181      0.00000
     24      13.4514      0.00000
     25      13.8810      0.00000
     26      14.2667      0.00000
     27      14.8099      0.00000
     28      15.6814      0.00000

 k-point   133 :       0.2500    0.1250    0.1250
  band No.  band energies     occupation 
      1     -15.3775      2.00000
      2     -13.0819      2.00000
      3     -11.6094      2.00000
      4     -10.2173      2.00000
      5      -7.9985      2.00000
      6      -6.4928      2.00000
      7      -4.6935      2.00000
      8      -4.2112      2.00000
      9      -3.4128      2.00000
     10      -2.4548      2.00000
     11      -1.9382      2.00000
     12      -1.6207      2.00000
     13      -0.6159      2.00000
     14       0.1053      2.00000
     15       1.0998      2.00000
     16       1.4775      2.00000
     17       3.4153      2.00000
     18       3.9774      2.00000
     19       4.4410      2.00000
     20       6.0128      2.00000
     21      10.1430      0.00000
     22      11.8670      0.00000
     23      12.4483      0.00000
     24      13.8027      0.00000
     25      13.9831      0.00000
     26      14.5370      0.00000
     27      14.8720      0.00000
     28      16.0146      0.00000

 k-point   134 :       0.3125    0.1250    0.1250
  band No.  band energies     occupation 
      1     -15.1835      2.00000
      2     -13.4019      2.00000
      3     -11.4657      2.00000
      4     -10.2451      2.00000
      5      -8.0614      2.00000
      6      -6.7533      2.00000
      7      -4.6178      2.00000
      8      -3.9807      2.00000
      9      -3.5145      2.00000
     10      -2.5357      2.00000
     11      -1.7902      2.00000
     12      -1.4636      2.00000
     13      -0.5523      2.00000
     14      -0.0053      2.00000
     15       1.0312      2.00000
     16       1.4808      2.00000
     17       3.4383      2.00000
     18       4.0268      2.00000
     19       4.6162      2.00000
     20       5.8777      2.00000
     21      10.2361      0.00000
     22      12.0742      0.00000
     23      12.3357      0.00000
     24      13.8956      0.00000
     25      14.3093      0.00000
     26      14.7998      0.00000
     27      15.0127      0.00000
     28      16.1669      0.00000

 k-point   135 :       0.3750    0.1250    0.1250
  band No.  band energies     occupation 
      1     -14.9517      2.00000
      2     -13.7376      2.00000
      3     -11.2755      2.00000
      4     -10.3751      2.00000
      5      -8.0001      2.00000
      6      -7.0404      2.00000
      7      -4.5099      2.00000
      8      -3.8262      2.00000
      9      -3.5708      2.00000
     10      -2.6837      2.00000
     11      -1.6276      2.00000
     12      -1.3686      2.00000
     13      -0.4571      2.00000
     14      -0.0631      2.00000
     15       0.9888      2.00000
     16       1.3991      2.00000
     17       3.5411      2.00000
     18       4.0429      2.00000
     19       4.7954      2.00000
     20       5.7008      2.00000
     21      10.4110      0.00000
     22      11.7647      0.00000
     23      12.7183      0.00000
     24      13.9144      0.00000
     25      14.5702      0.00000
     26      14.9579      0.00000
     27      15.2481      0.00000
     28      15.9732      0.00000

 k-point   136 :       0.4375    0.1250    0.1250
  band No.  band energies     occupation 
      1     -14.6855      2.00000
      2     -14.0710      2.00000
      3     -11.0533      2.00000
      4     -10.5778      2.00000
      5      -7.8360      2.00000
      6      -7.3306      2.00000
      7      -4.3591      2.00000
      8      -3.9703      2.00000
      9      -3.3592      2.00000
     10      -2.8761      2.00000
     11      -1.4924      2.00000
     12      -1.3510      2.00000
     13      -0.3355      2.00000
     14      -0.1179      2.00000
     15       1.0130      2.00000
     16       1.2606      2.00000
     17       3.6987      2.00000
     18       3.9896      2.00000
     19       5.0029      2.00000
     20       5.4836      2.00000
     21      10.6690      0.00000
     22      11.3775      0.00000
     23      13.1594      0.00000
     24      13.8221      0.00000
     25      14.7333      0.00000
     26      14.9779      0.00000
     27      15.4738      0.00000
     28      15.9996      0.00000

 k-point   137 :       0.5000    0.1250    0.1250
  band No.  band energies     occupation 
      1     -14.3898      2.00000
      2     -14.3898      2.00000
      3     -10.8139      2.00000
      4     -10.8139      2.00000
      5      -7.6033      2.00000
      6      -7.6033      2.00000
      7      -4.1725      2.00000
      8      -4.1725      2.00000
      9      -3.1063      2.00000
     10      -3.1063      2.00000
     11      -1.3974      2.00000
     12      -1.3974      2.00000
     13      -0.2114      2.00000
     14      -0.2114      2.00000
     15       1.1146      2.00000
     16       1.1146      2.00000
     17       3.8641      2.00000
     18       3.8641      2.00000
     19       5.2412      2.00000
     20       5.2412      2.00000
     21      10.9992      0.00000
     22      10.9992      0.00000
     23      13.5562      0.00000
     24      13.5562      0.00000
     25      14.8698      0.00000
     26      14.8698      0.00000
     27      15.7506      0.00000
     28      15.7509      0.00000

 k-point   138 :       0.1875    0.1875    0.1250
  band No.  band energies     occupation 
      1     -15.4215      2.00000
      2     -12.9187      2.00000
      3     -11.7509      2.00000
      4     -10.2261      2.00000
      5      -7.9886      2.00000
      6      -6.3473      2.00000
      7      -4.7363      2.00000
      8      -4.3518      2.00000
      9      -3.3440      2.00000
     10      -2.4318      2.00000
     11      -1.8944      2.00000
     12      -1.7123      2.00000
     13      -0.6543      2.00000
     14       0.0853      2.00000
     15       1.2035      2.00000
     16       1.4662      2.00000
     17       3.4306      2.00000
     18       3.9631      2.00000
     19       4.3881      2.00000
     20       6.0658      2.00000
     21      10.1612      0.00000
     22      11.7085      0.00000
     23      12.6008      0.00000
     24      13.7515      0.00000
     25      13.9058      0.00000
     26      14.3366      0.00000
     27      14.8654      0.00000
     28      15.9883      0.00000

 k-point   139 :       0.2500    0.1875    0.1250
  band No.  band energies     occupation 
      1     -15.2704      2.00000
      2     -13.1184      2.00000
      3     -11.7302      2.00000
      4     -10.2345      2.00000
      5      -8.0862      2.00000
      6      -6.4978      2.00000
      7      -4.6915      2.00000
      8      -4.2350      2.00000
      9      -3.3920      2.00000
     10      -2.4161      2.00000
     11      -1.8063      2.00000
     12      -1.5687      2.00000
     13      -0.6062      2.00000
     14      -0.0472      2.00000
     15       1.1307      2.00000
     16       1.5727      2.00000
     17       3.4182      2.00000
     18       3.9904      2.00000
     19       4.5599      2.00000
     20       5.9888      2.00000
     21      10.2413      0.00000
     22      11.9194      0.00000
     23      12.5119      0.00000
     24      13.7497      0.00000
     25      14.1899      0.00000
     26      14.5355      0.00000
     27      14.9468      0.00000
     28      16.1846      0.00000

 k-point   140 :       0.3125    0.1875    0.1250
  band No.  band energies     occupation 
      1     -15.0797      2.00000
      2     -13.3861      2.00000
      3     -11.6252      2.00000
      4     -10.3364      2.00000
      5      -8.0801      2.00000
      6      -6.7210      2.00000
      7      -4.6293      2.00000
      8      -4.0274      2.00000
      9      -3.5235      2.00000
     10      -2.5091      2.00000
     11      -1.6764      2.00000
     12      -1.4221      2.00000
     13      -0.5169      2.00000
     14      -0.1050      2.00000
     15       1.0453      2.00000
     16       1.6028      2.00000
     17       3.4590      2.00000
     18       4.0211      2.00000
     19       4.7354      2.00000
     20       5.8698      2.00000
     21      10.3747      0.00000
     22      12.1150      0.00000
     23      12.4012      0.00000
     24      13.7111      0.00000
     25      14.4892      0.00000
     26      14.7492      0.00000
     27      15.0566      0.00000
     28      16.0107      0.00000

 k-point   141 :       0.3750    0.1875    0.1250
  band No.  band energies     occupation 
      1     -14.8524      2.00000
      2     -13.6889      2.00000
      3     -11.4563      2.00000
      4     -10.5207      2.00000
      5      -7.9694      2.00000
      6      -6.9859      2.00000
      7      -4.5234      2.00000
      8      -3.8143      2.00000
      9      -3.6743      2.00000
     10      -2.6913      2.00000
     11      -1.5245      2.00000
     12      -1.3176      2.00000
     13      -0.4184      2.00000
     14      -0.1111      2.00000
     15       1.0065      2.00000
     16       1.5291      2.00000
     17       3.5750      2.00000
     18       4.0384      2.00000
     19       4.9012      2.00000
     20       5.7054      2.00000
     21      10.5736      0.00000
     22      11.9001      0.00000
     23      12.6492      0.00000
     24      13.6814      0.00000
     25      14.7118      0.00000
     26      14.8915      0.00000
     27      15.1896      0.00000
     28      15.9018      0.00000

 k-point   142 :       0.4375    0.1875    0.1250
  band No.  band energies     occupation 
      1     -14.5928      2.00000
      2     -14.0014      2.00000
      3     -11.2433      2.00000
      4     -10.7539      2.00000
      5      -7.7789      2.00000
      6      -7.2652      2.00000
      7      -4.3696      2.00000
      8      -3.9616      2.00000
      9      -3.4715      2.00000
     10      -2.9283      2.00000
     11      -1.3916      2.00000
     12      -1.2771      2.00000
     13      -0.3131      2.00000
     14      -0.1355      2.00000
     15       1.0596      2.00000
     16       1.3773      2.00000
     17       3.7396      2.00000
     18       4.0049      2.00000
     19       5.0783      2.00000
     20       5.5027      2.00000
     21      10.8415      0.00000
     22      11.5388      0.00000
     23      13.0076      0.00000
     24      13.5777      0.00000
     25      14.8245      0.00000
     26      14.9642      0.00000
     27      15.3694      0.00000
     28      15.9331      0.00000

 k-point   143 :       0.5000    0.1875    0.1250
  band No.  band energies     occupation 
      1     -14.3064      2.00000
      2     -14.3064      2.00000
      3     -11.0030      2.00000
      4     -11.0030      2.00000
      5      -7.5364      2.00000
      6      -7.5364      2.00000
      7      -4.1764      2.00000
      8      -4.1764      2.00000
      9      -3.1953      2.00000
     10      -3.1953      2.00000
     11      -1.3041      2.00000
     12      -1.3041      2.00000
     13      -0.2100      2.00000
     14      -0.2100      2.00000
     15       1.2005      2.00000
     16       1.2005      2.00000
     17       3.8989      2.00000
     18       3.8989      2.00000
     19       5.2837      2.00000
     20       5.2837      2.00000
     21      11.1709      0.00000
     22      11.1709      0.00000
     23      13.3407      0.00000
     24      13.3407      0.00000
     25      14.9157      0.00000
     26      14.9157      0.00000
     27      15.6644      0.00000
     28      15.6659      0.00000

 k-point   144 :       0.1875    0.2500    0.1250
  band No.  band energies     occupation 
      1     -15.2704      2.00000
      2     -13.1184      2.00000
      3     -11.7302      2.00000
      4     -10.2345      2.00000
      5      -8.0863      2.00000
      6      -6.4998      2.00000
      7      -4.6726      2.00000
      8      -4.2590      2.00000
      9      -3.3780      2.00000
     10      -2.4001      2.00000
     11      -1.8671      2.00000
     12      -1.5431      2.00000
     13      -0.6056      2.00000
     14      -0.0375      2.00000
     15       1.1939      2.00000
     16       1.5081      2.00000
     17       3.4044      2.00000
     18       4.0242      2.00000
     19       4.5420      2.00000
     20       5.9906      2.00000
     21      10.2352      0.00000
     22      11.9332      0.00000
     23      12.4952      0.00000
     24      13.8438      0.00000
     25      14.1231      0.00000
     26      14.5055      0.00000
     27      14.9723      0.00000
     28      16.1682      0.00000

 k-point   145 :       0.2500    0.2500    0.1250
  band No.  band energies     occupation 
      1     -15.1228      2.00000
      2     -13.2188      2.00000
      3     -11.7944      2.00000
      4     -10.3264      2.00000
      5      -8.1068      2.00000
      6      -6.5782      2.00000
      7      -4.6734      2.00000
      8      -4.1869      2.00000
      9      -3.4319      2.00000
     10      -2.3689      2.00000
     11      -1.8248      2.00000
     12      -1.4469      2.00000
     13      -0.5280      2.00000
     14      -0.0899      2.00000
     15       1.1373      2.00000
     16       1.6162      2.00000
     17       3.4064      2.00000
     18       4.0480      2.00000
     19       4.6969      2.00000
     20       5.9373      2.00000
     21      10.3665      0.00000
     22      12.0658      0.00000
     23      12.5101      0.00000
     24      13.7182      0.00000
     25      14.3271      0.00000
     26      14.5804      0.00000
     27      15.0601      0.00000
     28      16.0275      0.00000

 k-point   146 :       0.3125    0.2500    0.1250
  band No.  band energies     occupation 
      1     -14.9371      2.00000
      2     -13.3992      2.00000
      3     -11.7648      2.00000
      4     -10.4977      2.00000
      5      -8.0387      2.00000
      6      -6.7329      2.00000
      7      -4.6561      2.00000
      8      -4.0175      2.00000
      9      -3.5716      2.00000
     10      -2.4445      2.00000
     11      -1.7556      2.00000
     12      -1.3407      2.00000
     13      -0.4150      2.00000
     14      -0.0557      2.00000
     15       1.0555      2.00000
     16       1.6727      2.00000
     17       3.4568      2.00000
     18       4.0654      2.00000
     19       4.8603      2.00000
     20       5.8407      2.00000
     21      10.5422      0.00000
     22      12.1938      0.00000
     23      12.4935      0.00000
     24      13.5880      0.00000
     25      14.5001      0.00000
     26      14.6893      0.00000
     27      15.1013      0.00000
     28      15.8930      0.00000

 k-point   147 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation 
      1     -14.7172      2.00000
      2     -13.6421      2.00000
      3     -11.6457      2.00000
      4     -10.7254      2.00000
      5      -7.8917      2.00000
      6      -6.9469      2.00000
      7      -4.5808      2.00000
      8      -3.8774      2.00000
      9      -3.6823      2.00000
     10      -2.6444      2.00000
     11      -1.6209      2.00000
     12      -1.2730      2.00000
     13      -0.2932      2.00000
     14      -0.0014      2.00000
     15       1.0339      2.00000
     16       1.6230      2.00000
     17       3.5797      2.00000
     18       4.0702      2.00000
     19       5.0102      2.00000
     20       5.6972      2.00000
     21      10.7687      0.00000
     22      12.0493      0.00000
     23      12.6601      0.00000
     24      13.5090      0.00000
     25      14.5961      0.00000
     26      14.8120      0.00000
     27      15.1225      0.00000
     28      15.8504      0.00000

 k-point   148 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation 
      1     -14.4682      2.00000
      2     -13.9166      2.00000
      3     -11.4601      2.00000
      4     -10.9788      2.00000
      5      -7.6877      2.00000
      6      -7.1939      2.00000
      7      -4.4439      2.00000
      8      -4.0461      2.00000
      9      -3.4725      2.00000
     10      -2.9084      2.00000
     11      -1.4688      2.00000
     12      -1.2726      2.00000
     13      -0.1739      2.00000
     14      -0.0033      2.00000
     15       1.1202      2.00000
     16       1.4794      2.00000
     17       3.7529      2.00000
     18       4.0303      2.00000
     19       5.1598      2.00000
     20       5.5184      2.00000
     21      11.0488      0.00000
     22      11.7282      0.00000
     23      12.9359      0.00000
     24      13.4060      0.00000
     25      14.6619      0.00000
     26      14.8509      0.00000
     27      15.2556      0.00000
     28      15.7437      0.00000

 k-point   149 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation 
      1     -14.1976      2.00000
      2     -14.1976      2.00000
      3     -11.2311      2.00000
      4     -11.2311      2.00000
      5      -7.4482      2.00000
      6      -7.4482      2.00000
      7      -4.2584      2.00000
      8      -4.2584      2.00000
      9      -3.1935      2.00000
     10      -3.1935      2.00000
     11      -1.3430      2.00000
     12      -1.3430      2.00000
     13      -0.0703      2.00000
     14      -0.0703      2.00000
     15       1.2908      2.00000
     16       1.2908      2.00000
     17       3.9199      2.00000
     18       3.9199      2.00000
     19       5.3304      2.00000
     20       5.3304      2.00000
     21      11.3763      0.00000
     22      11.3763      0.00000
     23      13.2059      0.00000
     24      13.2059      0.00000
     25      14.7692      0.00000
     26      14.7692      0.00000
     27      15.4939      0.00000
     28      15.4939      0.00000

 k-point   150 :       0.1875    0.3125    0.1250
  band No.  band energies     occupation 
      1     -15.0797      2.00000
      2     -13.3861      2.00000
      3     -11.6251      2.00000
      4     -10.3363      2.00000
      5      -8.0805      2.00000
      6      -6.7247      2.00000
      7      -4.5969      2.00000
      8      -4.0798      2.00000
      9      -3.4823      2.00000
     10      -2.4823      2.00000
     11      -1.7905      2.00000
     12      -1.4062      2.00000
     13      -0.4951      2.00000
     14      -0.0653      2.00000
     15       1.1492      2.00000
     16       1.4867      2.00000
     17       3.4345      2.00000
     18       4.0696      2.00000
     19       4.7118      2.00000
     20       5.8762      2.00000
     21      10.3596      0.00000
     22      12.1365      0.00000
     23      12.3884      0.00000
     24      13.8732      0.00000
     25      14.3358      0.00000
     26      14.7215      0.00000
     27      15.1026      0.00000
     28      15.9543      0.00000

 k-point   151 :       0.2500    0.3125    0.1250
  band No.  band energies     occupation 
      1     -14.9371      2.00000
      2     -13.3992      2.00000
      3     -11.7647      2.00000
      4     -10.4976      2.00000
      5      -8.0392      2.00000
      6      -6.7364      2.00000
      7      -4.6300      2.00000
      8      -4.0600      2.00000
      9      -3.5361      2.00000
     10      -2.4025      2.00000
     11      -1.8623      2.00000
     12      -1.3557      2.00000
     13      -0.3773      2.00000
     14      -0.0138      2.00000
     15       1.1232      2.00000
     16       1.5861      2.00000
     17       3.4408      2.00000
     18       4.0921      2.00000
     19       4.8474      2.00000
     20       5.8486      2.00000
     21      10.5264      0.00000
     22      12.2126      0.00000
     23      12.4826      0.00000
     24      13.7394      0.00000
     25      14.3387      0.00000
     26      14.6987      0.00000
     27      15.1016      0.00000
     28      15.8489      0.00000

 k-point   152 :       0.3125    0.3125    0.1250
  band No.  band energies     occupation 
      1     -14.7591      2.00000
      2     -13.4732      2.00000
      3     -11.8318      2.00000
      4     -10.7172      2.00000
      5      -7.9312      2.00000
      6      -6.8075      2.00000
      7      -4.6749      2.00000
      8      -3.9601      2.00000
      9      -3.6441      2.00000
     10      -2.3638      2.00000
     11      -1.9498      2.00000
     12      -1.3113      2.00000
     13      -0.2203      2.00000
     14       0.1095      2.00000
     15       1.0636      2.00000
     16       1.6662      2.00000
     17       3.4846      2.00000
     18       4.1013      2.00000
     19       4.9891      2.00000
     20       5.7797      2.00000
     21      10.7341      0.00000
     22      12.2616      0.00000
     23      12.5976      0.00000
     24      13.5453      0.00000
     25      14.3502      0.00000
     26      14.7189      0.00000
     27      15.0137      0.00000
     28      15.7854      0.00000

 k-point   153 :       0.3750    0.3125    0.1250
  band No.  band energies     occupation 
      1     -14.5504      2.00000
      2     -13.6234      2.00000
      3     -11.7969      2.00000
      4     -10.9698      2.00000
      5      -7.7683      2.00000
      6      -6.9436      2.00000
      7      -4.6617      2.00000
      8      -4.0134      2.00000
      9      -3.5859      2.00000
     10      -2.5242      2.00000
     11      -1.8689      2.00000
     12      -1.3151      2.00000
     13      -0.0553      2.00000
     14       0.2258      2.00000
     15       1.0644      2.00000
     16       1.6515      2.00000
     17       3.5930      2.00000
     18       4.0925      2.00000
     19       5.1155      2.00000
     20       5.6655      2.00000
     21      10.9822      0.00000
     22      12.1667      0.00000
     23      12.7537      0.00000
     24      13.4111      0.00000
     25      14.3633      0.00000
     26      14.7423      0.00000
     27      14.9549      0.00000
     28      15.6851      0.00000

 k-point   154 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation 
      1     -14.3182      2.00000
      2     -13.8336      2.00000
      3     -11.6673      2.00000
      4     -11.2285      2.00000
      5      -7.5675      2.00000
      6      -7.1319      2.00000
      7      -4.5700      2.00000
      8      -4.2114      2.00000
      9      -3.3564      2.00000
     10      -2.7933      2.00000
     11      -1.6972      2.00000
     12      -1.3890      2.00000
     13       0.0933      2.00000
     14       0.2607      2.00000
     15       1.1723      2.00000
     16       1.5348      2.00000
     17       3.7559      2.00000
     18       4.0400      2.00000
     19       5.2351      2.00000
     20       5.5196      2.00000
     21      11.2694      0.00000
     22      11.9091      0.00000
     23      12.9555      0.00000
     24      13.3147      0.00000
     25      14.4185      0.00000
     26      14.6771      0.00000
     27      15.0426      0.00000
     28      15.4742      0.00000

 k-point   155 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation 
      1     -14.0736      2.00000
      2     -14.0736      2.00000
      3     -11.4690      2.00000
      4     -11.4690      2.00000
      5      -7.3482      2.00000
      6      -7.3482      2.00000
      7      -4.4114      2.00000
      8      -4.4114      2.00000
      9      -3.0813      2.00000
     10      -3.0813      2.00000
     11      -1.5246      2.00000
     12      -1.5246      2.00000
     13       0.2063      2.00000
     14       0.2063      2.00000
     15       1.3541      2.00000
     16       1.3541      2.00000
     17       3.9223      2.00000
     18       3.9223      2.00000
     19       5.3689      2.00000
     20       5.3689      2.00000
     21      11.5875      0.00000
     22      11.5875      0.00000
     23      13.1602      0.00000
     24      13.1602      0.00000
     25      14.5458      0.00000
     26      14.5458      0.00000
     27      15.2311      0.00000
     28      15.2311      0.00000

 k-point   156 :       0.1875    0.3750    0.1250
  band No.  band energies     occupation 
      1     -14.8524      2.00000
      2     -13.6890      2.00000
      3     -11.4562      2.00000
      4     -10.5205      2.00000
      5      -7.9704      2.00000
      6      -6.9901      2.00000
      7      -4.4885      2.00000
      8      -3.9088      2.00000
      9      -3.5820      2.00000
     10      -2.6694      2.00000
     11      -1.6655      2.00000
     12      -1.3501      2.00000
     13      -0.3396      2.00000
     14      -0.0249      2.00000
     15       1.0986      2.00000
     16       1.3962      2.00000
     17       3.5425      2.00000
     18       4.0718      2.00000
     19       4.8897      2.00000
     20       5.7191      2.00000
     21      10.5507      0.00000
     22      11.8848      0.00000
     23      12.7038      0.00000
     24      13.8874      0.00000
     25      14.4794      0.00000
     26      14.8837      0.00000
     27      15.1489      0.00000
     28      15.8929      0.00000

 k-point   157 :       0.2500    0.3750    0.1250
  band No.  band energies     occupation 
      1     -14.7172      2.00000
      2     -13.6421      2.00000
      3     -11.6454      2.00000
      4     -10.7252      2.00000
      5      -7.8933      2.00000
      6      -6.9525      2.00000
      7      -4.5423      2.00000
      8      -3.9535      2.00000
      9      -3.6053      2.00000
     10      -2.5979      2.00000
     11      -1.7848      2.00000
     12      -1.3486      2.00000
     13      -0.1719      2.00000
     14       0.1081      2.00000
     15       1.1052      2.00000
     16       1.4849      2.00000
     17       3.5469      2.00000
     18       4.0866      2.00000
     19       5.0070      2.00000
     20       5.7187      2.00000
     21      10.7362      0.00000
     22      12.0243      0.00000
     23      12.7373      0.00000
     24      13.7727      0.00000
     25      14.3338      0.00000
     26      14.7987      0.00000
     27      15.0140      0.00000
     28      15.7126      0.00000

 k-point   158 :       0.3125    0.3750    0.1250
  band No.  band energies     occupation 
      1     -14.5504      2.00000
      2     -13.6235      2.00000
      3     -11.7968      2.00000
      4     -10.9696      2.00000
      5      -7.7695      2.00000
      6      -6.9472      2.00000
      7      -4.6434      2.00000
      8      -4.0274      2.00000
      9      -3.5659      2.00000
     10      -2.4605      2.00000
     11      -1.9903      2.00000
     12      -1.3711      2.00000
     13       0.0310      2.00000
     14       0.2967      2.00000
     15       1.0808      2.00000
     16       1.5781      2.00000
     17       3.5736      2.00000
     18       4.0876      2.00000
     19       5.1212      2.00000
     20       5.6823      2.00000
     21      10.9601      0.00000
     22      12.1435      0.00000
     23      12.8165      0.00000
     24      13.5595      0.00000
     25      14.2603      0.00000
     26      14.7001      0.00000
     27      14.8685      0.00000
     28      15.5459      0.00000

 k-point   159 :       0.3750    0.3750    0.1250
  band No.  band energies     occupation 
      1     -14.3589      2.00000
      2     -13.6640      2.00000
      3     -11.8642      2.00000
      4     -11.2284      2.00000
      5      -7.6098      2.00000
      6      -6.9931      2.00000
      7      -4.7065      2.00000
      8      -4.2030      2.00000
      9      -3.3979      2.00000
     10      -2.3818      2.00000
     11      -2.1424      2.00000
     12      -1.4511      2.00000
     13       0.2364      2.00000
     14       0.4809      2.00000
     15       1.0935      2.00000
     16       1.5966      2.00000
     17       3.6482      2.00000
     18       4.0704      2.00000
     19       5.2159      2.00000
     20       5.6047      2.00000
     21      11.2153      0.00000
     22      12.1685      0.00000
     23      12.9186      0.00000
     24      13.3770      0.00000
     25      14.2415      0.00000
     26      14.5837      0.00000
     27      14.7925      0.00000
     28      15.3768      0.00000

 k-point   160 :       0.4375    0.3750    0.1250
  band No.  band energies     occupation 
      1     -14.1535      2.00000
      2     -13.7785      2.00000
      3     -11.8231      2.00000
      4     -11.4755      2.00000
      5      -7.4304      2.00000
      6      -7.0982      2.00000
      7      -4.6859      2.00000
      8      -4.4053      2.00000
      9      -3.1610      2.00000
     10      -2.6093      2.00000
     11      -1.9886      2.00000
     12      -1.5942      2.00000
     13       0.4139      2.00000
     14       0.5736      2.00000
     15       1.1910      2.00000
     16       1.5162      2.00000
     17       3.7731      2.00000
     18       4.0167      2.00000
     19       5.2987      2.00000
     20       5.4991      2.00000
     21      11.4936      0.00000
     22      12.0311      0.00000
     23      13.0389      0.00000
     24      13.2785      0.00000
     25      14.2633      0.00000
     26      14.4811      0.00000
     27      14.8128      0.00000
     28      15.1579      0.00000

 k-point   161 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation 
      1     -13.9515      2.00000
      2     -13.9515      2.00000
      3     -11.6838      2.00000
      4     -11.6838      2.00000
      5      -7.2517      2.00000
      6      -7.2517      2.00000
      7      -4.5781      2.00000
      8      -4.5781      2.00000
      9      -2.8907      2.00000
     10      -2.8907      2.00000
     11      -1.7823      2.00000
     12      -1.7823      2.00000
     13       0.5379      2.00000
     14       0.5379      2.00000
     15       1.3599      2.00000
     16       1.3599      2.00000
     17       3.9117      2.00000
     18       3.9117      2.00000
     19       5.3910      2.00000
     20       5.3910      2.00000
     21      11.7791      0.00000
     22      11.7791      0.00000
     23      13.1724      0.00000
     24      13.1724      0.00000
     25      14.3591      0.00000
     26      14.3591      0.00000
     27      14.9465      0.00000
     28      14.9465      0.00000

 k-point   162 :       0.1875    0.4375    0.1250
  band No.  band energies     occupation 
      1     -14.5928      2.00000
      2     -14.0014      2.00000
      3     -11.2430      2.00000
      4     -10.7536      2.00000
      5      -7.7808      2.00000
      6      -7.2689      2.00000
      7      -4.3399      2.00000
      8      -3.9752      2.00000
      9      -3.4465      2.00000
     10      -2.9146      2.00000
     11      -1.5382      2.00000
     12      -1.3667      2.00000
     13      -0.1711      2.00000
     14       0.0043      2.00000
     15       1.0854      2.00000
     16       1.2655      2.00000
     17       3.7048      2.00000
     18       4.0071      2.00000
     19       5.0865      2.00000
     20       5.5231      2.00000
     21      10.8149      0.00000
     22      11.5162      0.00000
     23      13.1121      0.00000
     24      13.7843      0.00000
     25      14.5980      0.00000
     26      14.8978      0.00000
     27      15.2185      0.00000
     28      15.7795      0.00000

 k-point   163 :       0.2500    0.4375    0.1250
  band No.  band energies     occupation 
      1     -14.4682      2.00000
      2     -13.9167      2.00000
      3     -11.4598      2.00000
      4     -10.9785      2.00000
      5      -7.6907      2.00000
      6      -7.1996      2.00000
      7      -4.4069      2.00000
      8      -4.0535      2.00000
      9      -3.4459      2.00000
     10      -2.8776      2.00000
     11      -1.6503      2.00000
     12      -1.4091      2.00000
     13       0.0305      2.00000
     14       0.1885      2.00000
     15       1.1196      2.00000
     16       1.3409      2.00000
     17       3.7064      2.00000
     18       4.0135      2.00000
     19       5.1797      2.00000
     20       5.5526      2.00000
     21      11.0065      0.00000
     22      11.6894      0.00000
     23      13.0943      0.00000
     24      13.6986      0.00000
     25      14.3902      0.00000
     26      14.7651      0.00000
     27      15.0291      0.00000
     28      15.4624      0.00000

 k-point   164 :       0.3125    0.4375    0.1250
  band No.  band energies     occupation 
      1     -14.3182      2.00000
      2     -13.8336      2.00000
      3     -11.6670      2.00000
      4     -11.2282      2.00000
      5      -7.5704      2.00000
      6      -7.1370      2.00000
      7      -4.5461      2.00000
      8      -4.2065      2.00000
      9      -3.3383      2.00000
     10      -2.7454      2.00000
     11      -1.8417      2.00000
     12      -1.4968      2.00000
     13       0.2641      2.00000
     14       0.4187      2.00000
     15       1.1363      2.00000
     16       1.4282      2.00000
     17       3.7152      2.00000
     18       4.0091      2.00000
     19       5.2603      2.00000
     20       5.5536      2.00000
     21      11.2314      0.00000
     22      11.8700      0.00000
     23      13.1030      0.00000
     24      13.5378      0.00000
     25      14.2701      0.00000
     26      14.5954      0.00000
     27      14.8462      0.00000
     28      15.2371      0.00000

 k-point   165 :       0.3750    0.4375    0.1250
  band No.  band energies     occupation 
      1     -14.1535      2.00000
      2     -13.7785      2.00000
      3     -11.8230      2.00000
      4     -11.4754      2.00000
      5      -7.4320      2.00000
      6      -7.1008      2.00000
      7      -4.6765      2.00000
      8      -4.4004      2.00000
      9      -3.1495      2.00000
     10      -2.5552      2.00000
     11      -2.0813      2.00000
     12      -1.6445      2.00000
     13       0.5028      2.00000
     14       0.6656      2.00000
     15       1.1460      2.00000
     16       1.4618      2.00000
     17       3.7502      2.00000
     18       3.9943      2.00000
     19       5.3155      2.00000
     20       5.5185      2.00000
     21      11.4748      0.00000
     22      12.0100      0.00000
     23      13.1163      0.00000
     24      13.3653      0.00000
     25      14.2579      0.00000
     26      14.4362      0.00000
     27      14.6995      0.00000
     28      15.0366      0.00000

 k-point   166 :       0.4375    0.4375    0.1250
  band No.  band energies     occupation 
      1     -13.9914      2.00000
      2     -13.7816      2.00000
      3     -11.8869      2.00000
      4     -11.6899      2.00000
      5      -7.2939      2.00000
      6      -7.1118      2.00000
      7      -4.7375      2.00000
      8      -4.5810      2.00000
      9      -2.9136      2.00000
     10      -2.4248      2.00000
     11      -2.2553      2.00000
     12      -1.8415      2.00000
     13       0.7120      2.00000
     14       0.8559      2.00000
     15       1.1681      2.00000
     16       1.4105      2.00000
     17       3.8181      2.00000
     18       3.9608      2.00000
     19       5.3542      2.00000
     20       5.4587      2.00000
     21      11.7168      0.00000
     22      12.0386      0.00000
     23      13.1292      0.00000
     24      13.2564      0.00000
     25      14.2715      0.00000
     26      14.3586      0.00000
     27      14.6230      0.00000
     28      14.8400      0.00000

 k-point   167 :       0.5000    0.4375    0.1250
  band No.  band energies     occupation 
      1     -13.8575      2.00000
      2     -13.8575      2.00000
      3     -11.8380      2.00000
      4     -11.8380      2.00000
      5      -7.1796      2.00000
      6      -7.1796      2.00000
      7      -4.7034      2.00000
      8      -4.7034      2.00000
      9      -2.6542      2.00000
     10      -2.6542      2.00000
     11      -2.0646      2.00000
     12      -2.0646      2.00000
     13       0.8553      2.00000
     14       0.8553      2.00000
     15       1.2839      2.00000
     16       1.2839      2.00000
     17       3.8986      2.00000
     18       3.8986      2.00000
     19       5.3987      2.00000
     20       5.3987      2.00000
     21      11.9240      0.00000
     22      11.9240      0.00000
     23      13.1804      0.00000
     24      13.1804      0.00000
     25      14.3051      0.00000
     26      14.3051      0.00000
     27      14.6819      0.00000
     28      14.6819      0.00000

 k-point   168 :       0.1875    0.5000    0.1250
  band No.  band energies     occupation 
      1     -14.3065      2.00000
      2     -14.3065      2.00000
      3     -11.0027      2.00000
      4     -11.0027      2.00000
      5      -7.5393      2.00000
      6      -7.5393      2.00000
      7      -4.1596      2.00000
      8      -4.1596      2.00000
      9      -3.1850      2.00000
     10      -3.1850      2.00000
     11      -1.4340      2.00000
     12      -1.4340      2.00000
     13      -0.0425      2.00000
     14      -0.0425      2.00000
     15       1.1452      2.00000
     16       1.1452      2.00000
     17       3.8751      2.00000
     18       3.8751      2.00000
     19       5.3039      2.00000
     20       5.3039      2.00000
     21      11.1449      0.00000
     22      11.1449      0.00000
     23      13.4994      0.00000
     24      13.4994      0.00000
     25      14.7600      0.00000
     26      14.7600      0.00000
     27      15.4540      0.00000
     28      15.4540      0.00000

 k-point   169 :       0.2500    0.5000    0.1250
  band No.  band energies     occupation 
      1     -14.1976      2.00000
      2     -14.1976      2.00000
      3     -11.2307      2.00000
      4     -11.2307      2.00000
      5      -7.4528      2.00000
      6      -7.4528      2.00000
      7      -4.2349      2.00000
      8      -4.2349      2.00000
      9      -3.1740      2.00000
     10      -3.1740      2.00000
     11      -1.5160      2.00000
     12      -1.5160      2.00000
     13       0.1651      2.00000
     14       0.1651      2.00000
     15       1.2021      2.00000
     16       1.2021      2.00000
     17       3.8769      2.00000
     18       3.8769      2.00000
     19       5.3661      2.00000
     20       5.3661      2.00000
     21      11.3326      0.00000
     22      11.3326      0.00000
     23      13.4410      0.00000
     24      13.4410      0.00000
     25      14.5770      0.00000
     26      14.5770      0.00000
     27      15.2051      0.00000
     28      15.2051      0.00000

 k-point   170 :       0.3125    0.5000    0.1250
  band No.  band energies     occupation 
      1     -14.0736      2.00000
      2     -14.0736      2.00000
      3     -11.4687      2.00000
      4     -11.4687      2.00000
      5      -7.3527      2.00000
      6      -7.3527      2.00000
      7      -4.3927      2.00000
      8      -4.3927      2.00000
      9      -3.0534      2.00000
     10      -3.0534      2.00000
     11      -1.6622      2.00000
     12      -1.6622      2.00000
     13       0.4093      2.00000
     14       0.4093      2.00000
     15       1.2608      2.00000
     16       1.2608      2.00000
     17       3.8744      2.00000
     18       3.8744      2.00000
     19       5.4075      2.00000
     20       5.4075      2.00000
     21      11.5444      0.00000
     22      11.5444      0.00000
     23      13.3702      0.00000
     24      13.3702      0.00000
     25      14.4175      0.00000
     26      14.4175      0.00000
     27      14.9807      0.00000
     28      14.9807      0.00000

 k-point   171 :       0.3750    0.5000    0.1250
  band No.  band energies     occupation 
      1     -13.9516      2.00000
      2     -13.9516      2.00000
      3     -11.6836      2.00000
      4     -11.6836      2.00000
      5      -7.2546      2.00000
      6      -7.2546      2.00000
      7      -4.5681      2.00000
      8      -4.5681      2.00000
      9      -2.8613      2.00000
     10      -2.8613      2.00000
     11      -1.8643      2.00000
     12      -1.8643      2.00000
     13       0.6702      2.00000
     14       0.6702      2.00000
     15       1.2838      2.00000
     16       1.2838      2.00000
     17       3.8773      2.00000
     18       3.8773      2.00000
     19       5.4181      2.00000
     20       5.4181      2.00000
     21      11.7530      0.00000
     22      11.7530      0.00000
     23      13.2839      0.00000
     24      13.2839      0.00000
     25      14.3438      0.00000
     26      14.3438      0.00000
     27      14.7685      0.00000
     28      14.7685      0.00000

 k-point   172 :       0.4375    0.5000    0.1250
  band No.  band energies     occupation 
      1     -13.8575      2.00000
      2     -13.8575      2.00000
      3     -11.8380      2.00000
      4     -11.8380      2.00000
      5      -7.1805      2.00000
      6      -7.1805      2.00000
      7      -4.7006      2.00000
      8      -4.7006      2.00000
      9      -2.6343      2.00000
     10      -2.6343      2.00000
     11      -2.0979      2.00000
     12      -2.0979      2.00000
     13       0.9153      2.00000
     14       0.9153      2.00000
     15       1.2393      2.00000
     16       1.2393      2.00000
     17       3.8871      2.00000
     18       3.8871      2.00000
     19       5.4076      2.00000
     20       5.4076      2.00000
     21      11.9167      0.00000
     22      11.9167      0.00000
     23      13.2059      0.00000
     24      13.2059      0.00000
     25      14.3430      0.00000
     26      14.3430      0.00000
     27      14.5967      0.00000
     28      14.5967      0.00000

 k-point   173 :       0.5000    0.5000    0.1250
  band No.  band energies     occupation 
      1     -13.8212      2.00000
      2     -13.8212      2.00000
      3     -11.8951      2.00000
      4     -11.8951      2.00000
      5      -7.1524      2.00000
      6      -7.1524      2.00000
      7      -4.7498      2.00000
      8      -4.7498      2.00000
      9      -2.4535      2.00000
     10      -2.4535      2.00000
     11      -2.2814      2.00000
     12      -2.2814      2.00000
     13       1.0993      2.00000
     14       1.0993      2.00000
     15       1.1273      2.00000
     16       1.1273      2.00000
     17       3.8930      2.00000
     18       3.8930      2.00000
     19       5.3998      2.00000
     20       5.3998      2.00000
     21      11.9812      0.00000
     22      11.9812      0.00000
     23      13.1734      0.00000
     24      13.1734      0.00000
     25      14.3619      0.00000
     26      14.3619      0.00000
     27      14.5198      0.00000
     28      14.5198      0.00000

 k-point   174 :       0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1     -15.3135      2.00000
      2     -12.9872      2.00000
      3     -11.8290      2.00000
      4     -10.2306      2.00000
      5      -8.0923      2.00000
      6      -6.3928      2.00000
      7      -4.7748      2.00000
      8      -4.3055      2.00000
      9      -3.3505      2.00000
     10      -2.3409      2.00000
     11      -1.8192      2.00000
     12      -1.5530      2.00000
     13      -0.6806      2.00000
     14      -0.1117      2.00000
     15       1.3661      2.00000
     16       1.4386      2.00000
     17       3.4315      2.00000
     18       3.9910      2.00000
     19       4.4879      2.00000
     20       6.0315      2.00000
     21      10.2389      0.00000
     22      11.7742      0.00000
     23      12.5799      0.00000
     24      13.9414      0.00000
     25      14.0269      0.00000
     26      14.3982      0.00000
     27      14.9258      0.00000
     28      16.2455      0.00000

 k-point   175 :       0.2500    0.1875    0.1875
  band No.  band energies     occupation 
      1     -15.1646      2.00000
      2     -13.1350      2.00000
      3     -11.8373      2.00000
      4     -10.3013      2.00000
      5      -8.1367      2.00000
      6      -6.5231      2.00000
      7      -4.7771      2.00000
      8      -4.1890      2.00000
      9      -3.4308      2.00000
     10      -2.2961      2.00000
     11      -1.7450      2.00000
     12      -1.3933      2.00000
     13      -0.6142      2.00000
     14      -0.2294      2.00000
     15       1.3265      2.00000
     16       1.5234      2.00000
     17       3.4276      2.00000
     18       4.0226      2.00000
     19       4.6378      2.00000
     20       5.9659      2.00000
     21      10.3508      0.00000
     22      11.9271      0.00000
     23      12.5058      0.00000
     24      13.8624      0.00000
     25      14.2749      0.00000
     26      14.6090      0.00000
     27      15.0497      0.00000
     28      16.1550      0.00000

 k-point   176 :       0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1     -14.9769      2.00000
      2     -13.3610      2.00000
      3     -11.7567      2.00000
      4     -10.4509      2.00000
      5      -8.0921      2.00000
      6      -6.7292      2.00000
      7      -4.7269      2.00000
      8      -4.0094      2.00000
      9      -3.5793      2.00000
     10      -2.3890      2.00000
     11      -1.6260      2.00000
     12      -1.2672      2.00000
     13      -0.4682      2.00000
     14      -0.2409      2.00000
     15       1.2400      2.00000
     16       1.5480      2.00000
     17       3.4680      2.00000
     18       4.0508      2.00000
     19       4.8031      2.00000
     20       5.8595      2.00000
     21      10.5059      0.00000
     22      12.1172      0.00000
     23      12.3909      0.00000
     24      13.7703      0.00000
     25      14.4808      0.00000
     26      14.8188      0.00000
     27      15.1690      0.00000
     28      15.8281      0.00000

 k-point   177 :       0.3750    0.1875    0.1875
  band No.  band energies     occupation 
      1     -14.7539      2.00000
      2     -13.6358      2.00000
      3     -11.6031      2.00000
      4     -10.6630      2.00000
      5      -7.9615      2.00000
      6      -6.9829      2.00000
      7      -4.6201      2.00000
      8      -3.8758      2.00000
      9      -3.6805      2.00000
     10      -2.6044      2.00000
     11      -1.4751      2.00000
     12      -1.1962      2.00000
     13      -0.3056      2.00000
     14      -0.1632      2.00000
     15       1.1646      2.00000
     16       1.4765      2.00000
     17       3.5794      2.00000
     18       4.0568      2.00000
     19       4.9657      2.00000
     20       5.7095      2.00000
     21      10.7144      0.00000
     22      11.9805      0.00000
     23      12.5703      0.00000
     24      13.7029      0.00000
     25      14.5889      0.00000
     26      14.9625      0.00000
     27      15.1661      0.00000
     28      15.7996      0.00000

 k-point   178 :       0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1     -14.5003      2.00000
      2     -13.9298      2.00000
      3     -11.3983      2.00000
      4     -10.9086      2.00000
      5      -7.7644      2.00000
      6      -7.2553      2.00000
      7      -4.4629      2.00000
      8      -4.0512      2.00000
      9      -3.4591      2.00000
     10      -2.8794      2.00000
     11      -1.3369      2.00000
     12      -1.1874      2.00000
     13      -0.1647      2.00000
     14      -0.0807      2.00000
     15       1.1438      2.00000
     16       1.3431      2.00000
     17       3.7398      2.00000
     18       4.0114      2.00000
     19       5.1355      2.00000
     20       5.5243      2.00000
     21      10.9814      0.00000
     22      11.6508      0.00000
     23      12.9192      0.00000
     24      13.5604      0.00000
     25      14.6485      0.00000
     26      14.9481      0.00000
     27      15.2530      0.00000
     28      15.7083      0.00000

 k-point   179 :       0.5000    0.1875    0.1875
  band No.  band energies     occupation 
      1     -14.2225      2.00000
      2     -14.2225      2.00000
      3     -11.1608      2.00000
      4     -11.1608      2.00000
      5      -7.5225      2.00000
      6      -7.5225      2.00000
      7      -4.2671      2.00000
      8      -4.2671      2.00000
      9      -3.1730      2.00000
     10      -3.1730      2.00000
     11      -1.2368      2.00000
     12      -1.2368      2.00000
     13      -0.0776      2.00000
     14      -0.0776      2.00000
     15       1.2107      2.00000
     16       1.2107      2.00000
     17       3.8993      2.00000
     18       3.8993      2.00000
     19       5.3249      2.00000
     20       5.3249      2.00000
     21      11.3012      0.00000
     22      11.3012      0.00000
     23      13.2757      0.00000
     24      13.2757      0.00000
     25      14.7942      0.00000
     26      14.7942      0.00000
     27      15.4610      0.00000
     28      15.4611      0.00000

 k-point   180 :       0.2500    0.2500    0.1875
  band No.  band energies     occupation 
      1     -15.0189      2.00000
      2     -13.2075      2.00000
      3     -11.9009      2.00000
      4     -10.4307      2.00000
      5      -8.1333      2.00000
      6      -6.6094      2.00000
      7      -4.8536      2.00000
      8      -4.0619      2.00000
      9      -3.5512      2.00000
     10      -2.1976      2.00000
     11      -1.6908      2.00000
     12      -1.2460      2.00000
     13      -0.5398      2.00000
     14      -0.2992      2.00000
     15       1.3461      2.00000
     16       1.5638      2.00000
     17       3.4381      2.00000
     18       4.0457      2.00000
     19       4.7653      2.00000
     20       5.9132      2.00000
     21      10.4993      0.00000
     22      12.0086      0.00000
     23      12.4727      0.00000
     24      13.8440      0.00000
     25      14.3214      0.00000
     26      14.7867      0.00000
     27      15.1856      0.00000
     28      15.9092      0.00000

 k-point   181 :       0.3125    0.2500    0.1875
  band No.  band energies     occupation 
      1     -14.8360      2.00000
      2     -13.3602      2.00000
      3     -11.8778      2.00000
      4     -10.6217      2.00000
      5      -8.0576      2.00000
      6      -6.7669      2.00000
      7      -4.8688      2.00000
      8      -3.8939      2.00000
      9      -3.7192      2.00000
     10      -2.2475      2.00000
     11      -1.5935      2.00000
     12      -1.1387      2.00000
     13      -0.3813      2.00000
     14      -0.2568      2.00000
     15       1.2597      2.00000
     16       1.6103      2.00000
     17       3.4857      2.00000
     18       4.0636      2.00000
     19       4.9096      2.00000
     20       5.8192      2.00000
     21      10.6857      0.00000
     22      12.1422      0.00000
     23      12.4073      0.00000
     24      13.7097      0.00000
     25      14.4307      0.00000
     26      14.9270      0.00000
     27      15.2391      0.00000
     28      15.6984      0.00000

 k-point   182 :       0.3750    0.2500    0.1875
  band No.  band energies     occupation 
      1     -14.6198      2.00000
      2     -13.5819      2.00000
      3     -11.7648      2.00000
      4     -10.8561      2.00000
      5      -7.9137      2.00000
      6      -6.9826      2.00000
      7      -4.8036      2.00000
      8      -4.0066      2.00000
      9      -3.6007      2.00000
     10      -2.4593      2.00000
     11      -1.4317      2.00000
     12      -1.0772      2.00000
     13      -0.2210      2.00000
     14      -0.1355      2.00000
     15       1.1894      2.00000
     16       1.5605      2.00000
     17       3.5981      2.00000
     18       4.0660      2.00000
     19       5.0478      2.00000
     20       5.6822      2.00000
     21      10.9120      0.00000
     22      12.0746      0.00000
     23      12.5204      0.00000
     24      13.5784      0.00000
     25      14.4870      0.00000
     26      14.9717      0.00000
     27      15.1957      0.00000
     28      15.6489      0.00000

 k-point   183 :       0.4375    0.2500    0.1875
  band No.  band energies     occupation 
      1     -14.3759      2.00000
      2     -13.8417      2.00000
      3     -11.5840      2.00000
      4     -11.1094      2.00000
      5      -7.7160      2.00000
      6      -7.2299      2.00000
      7      -4.6657      2.00000
      8      -4.2446      2.00000
      9      -3.3340      2.00000
     10      -2.7414      2.00000
     11      -1.2685      2.00000
     12      -1.0774      2.00000
     13      -0.0944      2.00000
     14      -0.0296      2.00000
     15       1.1900      2.00000
     16       1.4320      2.00000
     17       3.7587      2.00000
     18       4.0241      2.00000
     19       5.1863      2.00000
     20       5.5149      2.00000
     21      11.1798      0.00000
     22      11.8002      0.00000
     23      12.8120      0.00000
     24      13.4047      0.00000
     25      14.5344      0.00000
     26      14.8780      0.00000
     27      15.2586      0.00000
     28      15.5408      0.00000

 k-point   184 :       0.5000    0.2500    0.1875
  band No.  band energies     occupation 
      1     -14.1126      2.00000
      2     -14.1126      2.00000
      3     -11.3588      2.00000
      4     -11.3588      2.00000
      5      -7.4818      2.00000
      6      -7.4818      2.00000
      7      -4.4727      2.00000
      8      -4.4727      2.00000
      9      -3.0414      2.00000
     10      -3.0414      2.00000
     11      -1.1437      2.00000
     12      -1.1437      2.00000
     13      -0.0181      2.00000
     14      -0.0181      2.00000
     15       1.2845      2.00000
     16       1.2845      2.00000
     17       3.9167      2.00000
     18       3.9167      2.00000
     19       5.3423      2.00000
     20       5.3423      2.00000
     21      11.4835      0.00000
     22      11.4835      0.00000
     23      13.1315      0.00000
     24      13.1315      0.00000
     25      14.6896      0.00000
     26      14.6896      0.00000
     27      15.3898      0.00000
     28      15.3898      0.00000

 k-point   185 :       0.2500    0.3125    0.1875
  band No.  band energies     occupation 
      1     -14.8360      2.00000
      2     -13.3602      2.00000
      3     -11.8777      2.00000
      4     -10.6217      2.00000
      5      -8.0578      2.00000
      6      -6.7681      2.00000
      7      -4.8635      2.00000
      8      -3.9104      2.00000
      9      -3.7027      2.00000
     10      -2.2251      2.00000
     11      -1.6461      2.00000
     12      -1.1458      2.00000
     13      -0.3660      2.00000
     14      -0.2313      2.00000
     15       1.2986      2.00000
     16       1.5628      2.00000
     17       3.4813      2.00000
     18       4.0698      2.00000
     19       4.9064      2.00000
     20       5.8227      2.00000
     21      10.6791      0.00000
     22      12.1528      0.00000
     23      12.4018      0.00000
     24      13.7705      0.00000
     25      14.3691      0.00000
     26      14.9216      0.00000
     27      15.2248      0.00000
     28      15.7116      0.00000

 k-point   186 :       0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1     -14.6601      2.00000
      2     -13.4179      2.00000
      3     -11.9363      2.00000
      4     -10.8395      2.00000
      5      -7.9659      2.00000
      6      -6.8568      2.00000
      7      -4.9604      2.00000
      8      -4.0034      2.00000
      9      -3.6320      2.00000
     10      -2.1195      2.00000
     11      -1.7053      2.00000
     12      -1.0694      2.00000
     13      -0.1935      2.00000
     14      -0.1130      2.00000
     15       1.2409      2.00000
     16       1.6171      2.00000
     17       3.5241      2.00000
     18       4.0807      2.00000
     19       5.0206      2.00000
     20       5.7466      2.00000
     21      10.8868      0.00000
     22      12.2052      0.00000
     23      12.4315      0.00000
     24      13.6600      0.00000
     25      14.3251      0.00000
     26      14.9579      0.00000
     27      15.1379      0.00000
     28      15.6079      0.00000

 k-point   187 :       0.3750    0.3125    0.1875
  band No.  band energies     occupation 
      1     -14.4543      2.00000
      2     -13.5539      2.00000
      3     -11.8983      2.00000
      4     -11.0854      2.00000
      5      -7.8199      2.00000
      6      -7.0048      2.00000
      7      -4.9691      2.00000
      8      -4.2457      2.00000
      9      -3.3978      2.00000
     10      -2.2611      2.00000
     11      -1.5956      2.00000
     12      -1.0514      2.00000
     13      -0.0160      2.00000
     14       0.0520      2.00000
     15       1.1942      2.00000
     16       1.5947      2.00000
     17       3.6233      2.00000
     18       4.0762      2.00000
     19       5.1263      2.00000
     20       5.6298      2.00000
     21      11.1233      0.00000
     22      12.1370      0.00000
     23      12.5704      0.00000
     24      13.5040      0.00000
     25      14.3273      0.00000
     26      14.9008      0.00000
     27      15.0527      0.00000
     28      15.4945      0.00000

 k-point   188 :       0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1     -14.2261      2.00000
      2     -13.7539      2.00000
      3     -11.7683      2.00000
      4     -11.3371      2.00000
      5      -7.6318      2.00000
      6      -7.2005      2.00000
      7      -4.8818      2.00000
      8      -4.4946      2.00000
      9      -3.1246      2.00000
     10      -2.5334      2.00000
     11      -1.4051      2.00000
     12      -1.1067      2.00000
     13       0.1224      2.00000
     14       0.1781      2.00000
     15       1.2211      2.00000
     16       1.4851      2.00000
     17       3.7719      2.00000
     18       4.0308      2.00000
     19       5.2289      2.00000
     20       5.4878      2.00000
     21      11.3847      0.00000
     22      11.9305      0.00000
     23      12.8087      0.00000
     24      13.3212      0.00000
     25      14.3817      0.00000
     26      14.7581      0.00000
     27      15.0702      0.00000
     28      15.3432      0.00000

 k-point   189 :       0.5000    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.9867      2.00000
      2     -13.9867      2.00000
      3     -11.5724      2.00000
      4     -11.5724      2.00000
      5      -7.4183      2.00000
      6      -7.4183      2.00000
      7      -4.7154      2.00000
      8      -4.7154      2.00000
      9      -2.8313      2.00000
     10      -2.8313      2.00000
     11      -1.2309      2.00000
     12      -1.2309      2.00000
     13       0.1986      2.00000
     14       0.1986      2.00000
     15       1.3360      2.00000
     16       1.3360      2.00000
     17       3.9241      2.00000
     18       3.9241      2.00000
     19       5.3478      2.00000
     20       5.3478      2.00000
     21      11.6621      0.00000
     22      11.6621      0.00000
     23      13.0780      0.00000
     24      13.0780      0.00000
     25      14.5471      0.00000
     26      14.5471      0.00000
     27      15.1864      0.00000
     28      15.1864      0.00000

 k-point   190 :       0.2500    0.3750    0.1875
  band No.  band energies     occupation 
      1     -14.6198      2.00000
      2     -13.5819      2.00000
      3     -11.7647      2.00000
      4     -10.8560      2.00000
      5      -7.9143      2.00000
      6      -6.9848      2.00000
      7      -4.7945      2.00000
      8      -4.0135      2.00000
      9      -3.5903      2.00000
     10      -2.4334      2.00000
     11      -1.5195      2.00000
     12      -1.1140      2.00000
     13      -0.1558      2.00000
     14      -0.0802      2.00000
     15       1.2361      2.00000
     16       1.4844      2.00000
     17       3.5865      2.00000
     18       4.0669      2.00000
     19       5.0486      2.00000
     20       5.6925      2.00000
     21      10.8968      0.00000
     22      12.0655      0.00000
     23      12.5517      0.00000
     24      13.6874      0.00000
     25      14.3748      0.00000
     26      14.9569      0.00000
     27      15.1329      0.00000
     28      15.6114      0.00000

 k-point   191 :       0.3125    0.3750    0.1875
  band No.  band energies     occupation 
      1     -14.4543      2.00000
      2     -13.5539      2.00000
      3     -11.8982      2.00000
      4     -11.0853      2.00000
      5      -7.8206      2.00000
      6      -7.0066      2.00000
      7      -4.9634      2.00000
      8      -4.2453      2.00000
      9      -3.3934      2.00000
     10      -2.2170      2.00000
     11      -1.6816      2.00000
     12      -1.0888      2.00000
     13       0.0468      2.00000
     14       0.0966      2.00000
     15       1.2118      2.00000
     16       1.5447      2.00000
     17       3.6135      2.00000
     18       4.0696      2.00000
     19       5.1307      2.00000
     20       5.6405      2.00000
     21      11.1092      0.00000
     22      12.1264      0.00000
     23      12.6043      0.00000
     24      13.5909      0.00000
     25      14.2471      0.00000
     26      14.8451      0.00000
     27      15.0421      0.00000
     28      15.4303      0.00000

 k-point   192 :       0.3750    0.3750    0.1875
  band No.  band energies     occupation 
      1     -14.2645      2.00000
      2     -13.5851      2.00000
      3     -11.9562      2.00000
      4     -11.3303      2.00000
      5      -7.6846      2.00000
      6      -7.0697      2.00000
      7      -5.0598      2.00000
      8      -4.5035      2.00000
      9      -3.1452      2.00000
     10      -2.0821      2.00000
     11      -1.8219      2.00000
     12      -1.1370      2.00000
     13       0.2530      2.00000
     14       0.3073      2.00000
     15       1.1891      2.00000
     16       1.5492      2.00000
     17       3.6834      2.00000
     18       4.0593      2.00000
     19       5.1990      2.00000
     20       5.5516      2.00000
     21      11.3405      0.00000
     22      12.1180      0.00000
     23      12.7239      0.00000
     24      13.4405      0.00000
     25      14.2275      0.00000
     26      14.7229      0.00000
     27      14.9183      0.00000
     28      15.2789      0.00000

 k-point   193 :       0.4375    0.3750    0.1875
  band No.  band energies     occupation 
      1     -14.0613      2.00000
      2     -13.6929      2.00000
      3     -11.9107      2.00000
      4     -11.5676      2.00000
      5      -7.5193      2.00000
      6      -7.1860      2.00000
      7      -5.0506      2.00000
      8      -4.7453      2.00000
      9      -2.8693      2.00000
     10      -2.2906      2.00000
     11      -1.6568      2.00000
     12      -1.2605      2.00000
     13       0.4152      2.00000
     14       0.4706      2.00000
     15       1.2222      2.00000
     16       1.4679      2.00000
     17       3.7983      2.00000
     18       4.0163      2.00000
     19       5.2613      2.00000
     20       5.4422      2.00000
     21      11.5799      0.00000
     22      12.0061      0.00000
     23      12.8966      0.00000
     24      13.2806      0.00000
     25      14.2832      0.00000
     26      14.6206      0.00000
     27      14.8444      0.00000
     28      15.1016      0.00000

 k-point   194 :       0.5000    0.3750    0.1875
  band No.  band energies     occupation 
      1     -13.8620      2.00000
      2     -13.8620      2.00000
      3     -11.7711      2.00000
      4     -11.7711      2.00000
      5      -7.3444      2.00000
      6      -7.3444      2.00000
      7      -4.9377      2.00000
      8      -4.9377      2.00000
      9      -2.5788      2.00000
     10      -2.5788      2.00000
     11      -1.4425      2.00000
     12      -1.4425      2.00000
     13       0.5034      2.00000
     14       0.5034      2.00000
     15       1.3336      2.00000
     16       1.3336      2.00000
     17       3.9241      2.00000
     18       3.9241      2.00000
     19       5.3396      2.00000
     20       5.3396      2.00000
     21      11.8118      0.00000
     22      11.8118      0.00000
     23      13.0946      0.00000
     24      13.0946      0.00000
     25      14.4356      0.00000
     26      14.4356      0.00000
     27      14.9348      0.00000
     28      14.9348      0.00000

 k-point   195 :       0.2500    0.4375    0.1875
  band No.  band energies     occupation 
      1     -14.3759      2.00000
      2     -13.8418      2.00000
      3     -11.5839      2.00000
      4     -11.1093      2.00000
      5      -7.7172      2.00000
      6      -7.2322      2.00000
      7      -4.6558      2.00000
      8      -4.2420      2.00000
      9      -3.3267      2.00000
     10      -2.7231      2.00000
     11      -1.3683      2.00000
     12      -1.1482      2.00000
     13       0.0238      2.00000
     14       0.0609      2.00000
     15       1.2018      2.00000
     16       1.3562      2.00000
     17       3.7390      2.00000
     18       4.0117      2.00000
     19       5.1969      2.00000
     20       5.5318      2.00000
     21      11.1592      0.00000
     22      11.7823      0.00000
     23      12.8775      0.00000
     24      13.5261      0.00000
     25      14.4036      0.00000
     26      14.8173      0.00000
     27      15.1807      0.00000
     28      15.4527      0.00000

 k-point   196 :       0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1     -14.2261      2.00000
      2     -13.7539      2.00000
      3     -11.7682      2.00000
      4     -11.3369      2.00000
      5      -7.6334      2.00000
      6      -7.2032      2.00000
      7      -4.8733      2.00000
      8      -4.4902      2.00000
      9      -3.1146      2.00000
     10      -2.4989      2.00000
     11      -1.5113      2.00000
     12      -1.1840      2.00000
     13       0.2534      2.00000
     14       0.2782      2.00000
     15       1.2072      2.00000
     16       1.4114      2.00000
     17       3.7478      2.00000
     18       4.0078      2.00000
     19       5.2457      2.00000
     20       5.5103      2.00000
     21      11.3596      0.00000
     22      11.9081      0.00000
     23      12.8895      0.00000
     24      13.4508      0.00000
     25      14.2525      0.00000
     26      14.6475      0.00000
     27      15.0418      0.00000
     28      15.2549      0.00000

 k-point   197 :       0.3750    0.4375    0.1875
  band No.  band energies     occupation 
      1     -14.0613      2.00000
      2     -13.6929      2.00000
      3     -11.9106      2.00000
      4     -11.5675      2.00000
      5      -7.5202      2.00000
      6      -7.1875      2.00000
      7      -5.0467      2.00000
      8      -4.7426      2.00000
      9      -2.8608      2.00000
     10      -2.2491      2.00000
     11      -1.7296      2.00000
     12      -1.3006      2.00000
     13       0.4878      2.00000
     14       0.5337      2.00000
     15       1.1959      2.00000
     16       1.4272      2.00000
     17       3.7825      2.00000
     18       3.9992      2.00000
     19       5.2736      2.00000
     20       5.4567      2.00000
     21      11.5660      0.00000
     22      11.9934      0.00000
     23      12.9449      0.00000
     24      13.3412      0.00000
     25      14.2323      0.00000
     26      14.5239      0.00000
     27      14.8652      0.00000
     28      15.0590      0.00000

 k-point   198 :       0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.8988      2.00000
      2     -13.6911      2.00000
      3     -11.9679      2.00000
      4     -11.7723      2.00000
      5      -7.3949      2.00000
      6      -7.2098      2.00000
      7      -5.1281      2.00000
      8      -4.9565      2.00000
      9      -2.5860      2.00000
     10      -2.0744      2.00000
     11      -1.9080      2.00000
     12      -1.4833      2.00000
     13       0.6883      2.00000
     14       0.7524      2.00000
     15       1.1891      2.00000
     16       1.3675      2.00000
     17       3.8475      2.00000
     18       3.9748      2.00000
     19       5.2921      2.00000
     20       5.3861      2.00000
     21      11.7591      0.00000
     22      11.9998      0.00000
     23      13.0289      0.00000
     24      13.2345      0.00000
     25      14.2945      0.00000
     26      14.4877      0.00000
     27      14.7028      0.00000
     28      14.8558      0.00000

 k-point   199 :       0.5000    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.7649      2.00000
      2     -13.7649      2.00000
      3     -11.9172      2.00000
      4     -11.9172      2.00000
      5      -7.2827      2.00000
      6      -7.2827      2.00000
      7      -5.0949      2.00000
      8      -5.0949      2.00000
      9      -2.3050      2.00000
     10      -2.3050      2.00000
     11      -1.7074      2.00000
     12      -1.7074      2.00000
     13       0.8075      2.00000
     14       0.8075      2.00000
     15       1.2546      2.00000
     16       1.2546      2.00000
     17       3.9215      2.00000
     18       3.9215      2.00000
     19       5.3258      2.00000
     20       5.3258      2.00000
     21      11.9141      0.00000
     22      11.9141      0.00000
     23      13.1304      0.00000
     24      13.1304      0.00000
     25      14.4115      0.00000
     26      14.4115      0.00000
     27      14.6987      0.00000
     28      14.6987      0.00000

 k-point   200 :       0.2500    0.5000    0.1875
  band No.  band energies     occupation 
      1     -14.1126      2.00000
      2     -14.1126      2.00000
      3     -11.3586      2.00000
      4     -11.3586      2.00000
      5      -7.4837      2.00000
      6      -7.4837      2.00000
      7      -4.4651      2.00000
      8      -4.4651      2.00000
      9      -3.0304      2.00000
     10      -3.0304      2.00000
     11      -1.2374      2.00000
     12      -1.2374      2.00000
     13       0.1078      2.00000
     14       0.1078      2.00000
     15       1.2415      2.00000
     16       1.2415      2.00000
     17       3.8953      2.00000
     18       3.8953      2.00000
     19       5.3601      2.00000
     20       5.3601      2.00000
     21      11.4623      0.00000
     22      11.4623      0.00000
     23      13.2284      0.00000
     24      13.2284      0.00000
     25      14.5828      0.00000
     26      14.5828      0.00000
     27      15.3049      0.00000
     28      15.3049      0.00000

 k-point   201 :       0.3125    0.5000    0.1875
  band No.  band energies     occupation 
      1     -13.9867      2.00000
      2     -13.9867      2.00000
      3     -11.5723      2.00000
      4     -11.5723      2.00000
      5      -7.4207      2.00000
      6      -7.4207      2.00000
      7      -4.7078      2.00000
      8      -4.7078      2.00000
      9      -2.8111      2.00000
     10      -2.8111      2.00000
     11      -1.3324      2.00000
     12      -1.3324      2.00000
     13       0.3447      2.00000
     14       0.3447      2.00000
     15       1.2751      2.00000
     16       1.2751      2.00000
     17       3.8926      2.00000
     18       3.8926      2.00000
     19       5.3735      2.00000
     20       5.3735      2.00000
     21      11.6346      0.00000
     22      11.6346      0.00000
     23      13.1959      0.00000
     24      13.1959      0.00000
     25      14.4129      0.00000
     26      14.4129      0.00000
     27      15.1232      0.00000
     28      15.1232      0.00000

 k-point   202 :       0.3750    0.5000    0.1875
  band No.  band energies     occupation 
      1     -13.8620      2.00000
      2     -13.8620      2.00000
      3     -11.7710      2.00000
      4     -11.7710      2.00000
      5      -7.3461      2.00000
      6      -7.3461      2.00000
      7      -4.9332      2.00000
      8      -4.9332      2.00000
      9      -2.5559      2.00000
     10      -2.5559      2.00000
     11      -1.5083      2.00000
     12      -1.5083      2.00000
     13       0.6069      2.00000
     14       0.6069      2.00000
     15       1.2778      2.00000
     16       1.2778      2.00000
     17       3.8988      2.00000
     18       3.8988      2.00000
     19       5.3599      2.00000
     20       5.3599      2.00000
     21      11.7936      0.00000
     22      11.7936      0.00000
     23      13.1697      0.00000
     24      13.1697      0.00000
     25      14.3473      0.00000
     26      14.3473      0.00000
     27      14.9091      0.00000
     28      14.9091      0.00000

 k-point   203 :       0.4375    0.5000    0.1875
  band No.  band energies     occupation 
      1     -13.7650      2.00000
      2     -13.7650      2.00000
      3     -11.9172      2.00000
      4     -11.9172      2.00000
      5      -7.2833      2.00000
      6      -7.2833      2.00000
      7      -5.0936      2.00000
      8      -5.0936      2.00000
      9      -2.2888      2.00000
     10      -2.2888      2.00000
     11      -1.7350      2.00000
     12      -1.7350      2.00000
     13       0.8543      2.00000
     14       0.8543      2.00000
     15       1.2210      2.00000
     16       1.2210      2.00000
     17       3.9126      2.00000
     18       3.9126      2.00000
     19       5.3329      2.00000
     20       5.3329      2.00000
     21      11.9089      0.00000
     22      11.9089      0.00000
     23      13.1513      0.00000
     24      13.1513      0.00000
     25      14.3847      0.00000
     26      14.3847      0.00000
     27      14.6945      0.00000
     28      14.6945      0.00000

 k-point   204 :       0.5000    0.5000    0.1875
  band No.  band energies     occupation 
      1     -13.7273      2.00000
      2     -13.7273      2.00000
      3     -11.9720      2.00000
      4     -11.9720      2.00000
      5      -7.2583      2.00000
      6      -7.2583      2.00000
      7      -5.1522      2.00000
      8      -5.1522      2.00000
      9      -2.0789      2.00000
     10      -2.0789      2.00000
     11      -1.9328      2.00000
     12      -1.9328      2.00000
     13       1.0101      2.00000
     14       1.0101      2.00000
     15       1.1342      2.00000
     16       1.1342      2.00000
     17       3.9203      2.00000
     18       3.9203      2.00000
     19       5.3191      2.00000
     20       5.3191      2.00000
     21      11.9514      0.00000
     22      11.9514      0.00000
     23      13.1450      0.00000
     24      13.1450      0.00000
     25      14.4759      0.00000
     26      14.4759      0.00000
     27      14.5423      0.00000
     28      14.5423      0.00000

 k-point   205 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -14.8761      2.00000
      2     -13.2351      2.00000
      3     -11.9831      2.00000
      4     -10.5884      2.00000
      5      -8.1158      2.00000
      6      -6.6847      2.00000
      7      -5.0094      2.00000
      8      -3.8813      2.00000
      9      -3.7444      2.00000
     10      -2.0335      2.00000
     11      -1.5799      2.00000
     12      -1.0555      2.00000
     13      -0.5585      2.00000
     14      -0.3259      2.00000
     15       1.4458      2.00000
     16       1.5317      2.00000
     17       3.4648      2.00000
     18       4.0519      2.00000
     19       4.8669      2.00000
     20       5.8611      2.00000
     21      10.6711      0.00000
     22      12.0277      0.00000
     23      12.4199      0.00000
     24      13.9079      0.00000
     25      14.2584      0.00000
     26      14.9751      0.00000
     27      15.3614      0.00000
     28      15.8190      0.00000

 k-point   206 :       0.3125    0.2500    0.2500
  band No.  band energies     occupation 
      1     -14.6974      2.00000
      2     -13.3364      2.00000
      3     -11.9900      2.00000
      4     -10.7943      2.00000
      5      -8.0383      2.00000
      6      -6.8209      2.00000
      7      -5.0870      2.00000
      8      -3.9926      2.00000
      9      -3.6517      2.00000
     10      -2.0132      2.00000
     11      -1.4777      2.00000
     12      -0.9443      2.00000
     13      -0.4512      2.00000
     14      -0.2087      2.00000
     15       1.3702      2.00000
     16       1.5672      2.00000
     17       3.5163      2.00000
     18       4.0634      2.00000
     19       4.9813      2.00000
     20       5.7715      2.00000
     21      10.8713      0.00000
     22      12.1276      0.00000
     23      12.3524      0.00000
     24      13.8072      0.00000
     25      14.2799      0.00000
     26      15.0528      0.00000
     27      15.4002      0.00000
     28      15.5622      0.00000

 k-point   207 :       0.3750    0.2500    0.2500
  band No.  band energies     occupation 
      1     -14.4871      2.00000
      2     -13.5165      2.00000
      3     -11.9030      2.00000
      4     -11.0325      2.00000
      5      -7.9007      2.00000
      6      -7.0167      2.00000
      7      -5.0633      2.00000
      8      -4.2602      2.00000
      9      -3.3892      2.00000
     10      -2.2022      2.00000
     11      -1.3150      2.00000
     12      -0.9025      2.00000
     13      -0.2515      2.00000
     14      -0.0399      2.00000
     15       1.2830      2.00000
     16       1.5210      2.00000
     17       3.6204      2.00000
     18       4.0616      2.00000
     19       5.0934      2.00000
     20       5.6442      2.00000
     21      11.0949      0.00000
     22      12.0991      0.00000
     23      12.4486      0.00000
     24      13.6403      0.00000
     25      14.2868      0.00000
     26      14.9938      0.00000
     27      15.2432      0.00000
     28      15.4909      0.00000

 k-point   208 :       0.4375    0.2500    0.2500
  band No.  band energies     occupation 
      1     -14.2518      2.00000
      2     -13.7482      2.00000
      3     -11.7394      2.00000
      4     -11.2829      2.00000
      5      -7.7129      2.00000
      6      -7.2492      2.00000
      7      -4.9469      2.00000
      8      -4.5235      2.00000
      9      -3.1006      2.00000
     10      -2.4864      2.00000
     11      -1.1453      2.00000
     12      -0.9251      2.00000
     13      -0.0504      2.00000
     14       0.0833      2.00000
     15       1.2421      2.00000
     16       1.4073      2.00000
     17       3.7673      2.00000
     18       4.0179      2.00000
     19       5.2086      2.00000
     20       5.4930      2.00000
     21      11.3429      0.00000
     22      11.8801      0.00000
     23      12.7422      0.00000
     24      13.4052      0.00000
     25      14.3320      0.00000
     26      14.7828      0.00000
     27      15.2390      0.00000
     28      15.4250      0.00000

 k-point   209 :       0.5000    0.2500    0.2500
  band No.  band energies     occupation 
      1     -14.0007      2.00000
      2     -14.0007      2.00000
      3     -11.5252      2.00000
      4     -11.5252      2.00000
      5      -7.4894      2.00000
      6      -7.4894      2.00000
      7      -4.7595      2.00000
      8      -4.7595      2.00000
      9      -2.7951      2.00000
     10      -2.7951      2.00000
     11      -1.0092      2.00000
     12      -1.0092      2.00000
     13       0.0810      2.00000
     14       0.0810      2.00000
     15       1.2902      2.00000
     16       1.2902      2.00000
     17       3.9145      2.00000
     18       3.9145      2.00000
     19       5.3416      2.00000
     20       5.3416      2.00000
     21      11.6117      0.00000
     22      11.6117      0.00000
     23      13.0843      0.00000
     24      13.0843      0.00000
     25      14.5180      0.00000
     26      14.5180      0.00000
     27      15.3303      0.00000
     28      15.3303      0.00000

 k-point   210 :       0.3125    0.3125    0.2500
  band No.  band energies     occupation 
      1     -14.5249      2.00000
      2     -13.3643      2.00000
      3     -12.0523      2.00000
      4     -11.0065      2.00000
      5      -7.9659      2.00000
      6      -6.9123      2.00000
      7      -5.2418      2.00000
      8      -4.2687      2.00000
      9      -3.4039      2.00000
     10      -1.8458      2.00000
     11      -1.4515      2.00000
     12      -0.8287      2.00000
     13      -0.3759      2.00000
     14      -0.0556      2.00000
     15       1.3309      2.00000
     16       1.5834      2.00000
     17       3.5670      2.00000
     18       4.0681      2.00000
     19       5.0595      2.00000
     20       5.6878      2.00000
     21      11.0828      0.00000
     22      12.1613      0.00000
     23      12.3311      0.00000
     24      13.7802      0.00000
     25      14.1741      0.00000
     26      15.0501      0.00000
     27      15.2622      0.00000
     28      15.5142      0.00000

 k-point   211 :       0.3750    0.3125    0.2500
  band No.  band energies     occupation 
      1     -14.3237      2.00000
      2     -13.4722      2.00000
      3     -12.0233      2.00000
      4     -11.2433      2.00000
      5      -7.8390      2.00000
      6      -7.0574      2.00000
      7      -5.2891      2.00000
      8      -4.5580      2.00000
      9      -3.1232      2.00000
     10      -1.9459      2.00000
     11      -1.3219      2.00000
     12      -0.7959      2.00000
     13      -0.1749      2.00000
     14       0.1162      2.00000
     15       1.2586      2.00000
     16       1.5530      2.00000
     17       3.6615      2.00000
     18       4.0653      2.00000
     19       5.1325      2.00000
     20       5.5691      2.00000
     21      11.3051      0.00000
     22      12.1135      0.00000
     23      12.4535      0.00000
     24      13.5988      0.00000
     25      14.1689      0.00000
     26      14.9569      0.00000
     27      15.0894      0.00000
     28      15.4484      0.00000

 k-point   212 :       0.4375    0.3125    0.2500
  band No.  band energies     occupation 
      1     -14.1019      2.00000
      2     -13.6520      2.00000
      3     -11.9013      2.00000
      4     -11.4856      2.00000
      5      -7.6660      2.00000
      6      -7.2497      2.00000
      7      -5.2214      2.00000
      8      -4.8296      2.00000
      9      -2.8236      2.00000
     10      -2.2104      2.00000
     11      -1.1246      2.00000
     12      -0.8397      2.00000
     13       0.0381      2.00000
     14       0.2213      2.00000
     15       1.2423      2.00000
     16       1.4493      2.00000
     17       3.7963      2.00000
     18       4.0273      2.00000
     19       5.2084      2.00000
     20       5.4331      2.00000
     21      11.5308      0.00000
     22      11.9601      0.00000
     23      12.7094      0.00000
     24      13.3337      0.00000
     25      14.2509      0.00000
     26      14.7195      0.00000
     27      15.1017      0.00000
     28      15.3484      0.00000

 k-point   213 :       0.5000    0.3125    0.2500
  band No.  band energies     occupation 
      1     -13.8715      2.00000
      2     -13.8715      2.00000
      3     -11.7127      2.00000
      4     -11.7127      2.00000
      5      -7.4621      2.00000
      6      -7.4621      2.00000
      7      -5.0591      2.00000
      8      -5.0591      2.00000
      9      -2.5147      2.00000
     10      -2.5147      2.00000
     11      -0.9542      2.00000
     12      -0.9542      2.00000
     13       0.1904      2.00000
     14       0.1904      2.00000
     15       1.3202      2.00000
     16       1.3202      2.00000
     17       3.9330      2.00000
     18       3.9330      2.00000
     19       5.3067      2.00000
     20       5.3067      2.00000
     21      11.7547      0.00000
     22      11.7547      0.00000
     23      13.0208      0.00000
     24      13.0208      0.00000
     25      14.4495      0.00000
     26      14.4495      0.00000
     27      15.2163      0.00000
     28      15.2163      0.00000

 k-point   214 :       0.3125    0.3750    0.2500
  band No.  band energies     occupation 
      1     -14.3237      2.00000
      2     -13.4722      2.00000
      3     -12.0233      2.00000
      4     -11.2433      2.00000
      5      -7.8392      2.00000
      6      -7.0580      2.00000
      7      -5.2878      2.00000
      8      -4.5575      2.00000
      9      -3.1218      2.00000
     10      -1.9253      2.00000
     11      -1.3650      2.00000
     12      -0.8120      2.00000
     13      -0.1501      2.00000
     14       0.1420      2.00000
     15       1.2637      2.00000
     16       1.5353      2.00000
     17       3.6583      2.00000
     18       4.0615      2.00000
     19       5.1347      2.00000
     20       5.5733      2.00000
     21      11.2994      0.00000
     22      12.1106      0.00000
     23      12.4655      0.00000
     24      13.6345      0.00000
     25      14.1316      0.00000
     26      14.8995      0.00000
     27      15.1331      0.00000
     28      15.4234      0.00000

 k-point   215 :       0.3750    0.3750    0.2500
  band No.  band energies     occupation 
      1     -14.1365      2.00000
      2     -13.4858      2.00000
      3     -12.0771      2.00000
      4     -11.4719      2.00000
      5      -7.7286      2.00000
      6      -7.1302      2.00000
      7      -5.4213      2.00000
      8      -4.8536      2.00000
      9      -2.8283      2.00000
     10      -1.7406      2.00000
     11      -1.4735      2.00000
     12      -0.8210      2.00000
     13       0.0636      2.00000
     14       0.3384      2.00000
     15       1.2113      2.00000
     16       1.5193      2.00000
     17       3.7304      2.00000
     18       4.0581      2.00000
     19       5.1659      2.00000
     20       5.4713      2.00000
     21      11.5057      0.00000
     22      12.0849      0.00000
     23      12.5798      0.00000
     24      13.4993      0.00000
     25      14.1148      0.00000
     26      14.7922      0.00000
     27      14.9850      0.00000
     28      15.3276      0.00000

 k-point   216 :       0.4375    0.3750    0.2500
  band No.  band energies     occupation 
      1     -13.9366      2.00000
      2     -13.5805      2.00000
      3     -12.0314      2.00000
      4     -11.6972      2.00000
      5      -7.5791      2.00000
      6      -7.2510      2.00000
      7      -5.4309      2.00000
      8      -5.1175      2.00000
      9      -2.5227      2.00000
     10      -1.9232      2.00000
     11      -1.3048      2.00000
     12      -0.9197      2.00000
     13       0.2845      2.00000
     14       0.4648      2.00000
     15       1.2095      2.00000
     16       1.4311      2.00000
     17       3.8379      2.00000
     18       4.0279      2.00000
     19       5.1997      2.00000
     20       5.3572      2.00000
     21      11.6986      0.00000
     22      12.0030      0.00000
     23      12.7780      0.00000
     24      13.2794      0.00000
     25      14.2160      0.00000
     26      14.6506      0.00000
     27      14.9181      0.00000
     28      15.1794      0.00000

 k-point   217 :       0.5000    0.3750    0.2500
  band No.  band energies     occupation 
      1     -13.7419      2.00000
      2     -13.7419      2.00000
      3     -11.8941      2.00000
      4     -11.8941      2.00000
      5      -7.4104      2.00000
      6      -7.4104      2.00000
      7      -5.3203      2.00000
      8      -5.3203      2.00000
      9      -2.2153      2.00000
     10      -2.2153      2.00000
     11      -1.0896      2.00000
     12      -1.0896      2.00000
     13       0.4401      2.00000
     14       0.4401      2.00000
     15       1.3015      2.00000
     16       1.3015      2.00000
     17       3.9505      2.00000
     18       3.9505      2.00000
     19       5.2605      2.00000
     20       5.2605      2.00000
     21      11.8686      0.00000
     22      11.8686      0.00000
     23      13.0253      0.00000
     24      13.0253      0.00000
     25      14.4145      0.00000
     26      14.4145      0.00000
     27      15.0201      0.00000
     28      15.0201      0.00000

 k-point   218 :       0.3125    0.4375    0.2500
  band No.  band energies     occupation 
      1     -14.1019      2.00000
      2     -13.6520      2.00000
      3     -11.9013      2.00000
      4     -11.4856      2.00000
      5      -7.6665      2.00000
      6      -7.2506      2.00000
      7      -5.2192      2.00000
      8      -4.8282      2.00000
      9      -2.8191      2.00000
     10      -2.1935      2.00000
     11      -1.1815      2.00000
     12      -0.8782      2.00000
     13       0.0931      2.00000
     14       0.2806      2.00000
     15       1.2329      2.00000
     16       1.4216      2.00000
     17       3.7867      2.00000
     18       4.0164      2.00000
     19       5.2159      2.00000
     20       5.4427      2.00000
     21      11.5200      0.00000
     22      11.9521      0.00000
     23      12.7393      0.00000
     24      13.3822      0.00000
     25      14.1927      0.00000
     26      14.6455      0.00000
     27      15.1403      0.00000
     28      15.3305      0.00000

 k-point   219 :       0.3750    0.4375    0.2500
  band No.  band energies     occupation 
      1     -13.9366      2.00000
      2     -13.5805      2.00000
      3     -12.0314      2.00000
      4     -11.6972      2.00000
      5      -7.5795      2.00000
      6      -7.2517      2.00000
      7      -5.4295      2.00000
      8      -5.1165      2.00000
      9      -2.5175      2.00000
     10      -1.8963      2.00000
     11      -1.3550      2.00000
     12      -0.9470      2.00000
     13       0.3236      2.00000
     14       0.5138      2.00000
     15       1.1903      2.00000
     16       1.4115      2.00000
     17       3.8293      2.00000
     18       4.0177      2.00000
     19       5.2069      2.00000
     20       5.3656      2.00000
     21      11.6907      0.00000
     22      11.9972      0.00000
     23      12.8014      0.00000
     24      13.3108      0.00000
     25      14.1748      0.00000
     26      14.5623      0.00000
     27      14.9869      0.00000
     28      15.1776      0.00000

 k-point   220 :       0.4375    0.4375    0.2500
  band No.  band energies     occupation 
      1     -13.7732      2.00000
      2     -13.5695      2.00000
      3     -12.0839      2.00000
      4     -11.8909      2.00000
      5      -7.4675      2.00000
      6      -7.2816      2.00000
      7      -5.5323      2.00000
      8      -5.3533      2.00000
      9      -2.2110      2.00000
     10      -1.6738      2.00000
     11      -1.5403      2.00000
     12      -1.1065      2.00000
     13       0.5574      2.00000
     14       0.7059      2.00000
     15       1.1558      2.00000
     16       1.3360      2.00000
     17       3.8960      2.00000
     18       4.0066      2.00000
     19       5.1982      2.00000
     20       5.2807      2.00000
     21      11.8355      0.00000
     22      11.9961      0.00000
     23      12.9155      0.00000
     24      13.1977      0.00000
     25      14.2677      0.00000
     26      14.5441      0.00000
     27      14.8202      0.00000
     28      14.9835      0.00000

 k-point   221 :       0.5000    0.4375    0.2500
  band No.  band energies     occupation 
      1     -13.6394      2.00000
      2     -13.6394      2.00000
      3     -12.0322      2.00000
      4     -12.0322      2.00000
      5      -7.3580      2.00000
      6      -7.3580      2.00000
      7      -5.5030      2.00000
      8      -5.5030      2.00000
      9      -1.9111      2.00000
     10      -1.9111      2.00000
     11      -1.3265      2.00000
     12      -1.3265      2.00000
     13       0.7197      2.00000
     14       0.7197      2.00000
     15       1.2160      2.00000
     16       1.2160      2.00000
     17       3.9647      2.00000
     18       3.9647      2.00000
     19       5.2186      2.00000
     20       5.2186      2.00000
     21      11.9406      0.00000
     22      11.9406      0.00000
     23      13.0579      0.00000
     24      13.0579      0.00000
     25      14.4343      0.00000
     26      14.4343      0.00000
     27      14.8208      0.00000
     28      14.8208      0.00000

 k-point   222 :       0.3125    0.5000    0.2500
  band No.  band energies     occupation 
      1     -13.8716      2.00000
      2     -13.8716      2.00000
      3     -11.7127      2.00000
      4     -11.7127      2.00000
      5      -7.4630      2.00000
      6      -7.4630      2.00000
      7      -5.0570      2.00000
      8      -5.0570      2.00000
      9      -2.5047      2.00000
     10      -2.5047      2.00000
     11      -1.0081      2.00000
     12      -1.0081      2.00000
     13       0.2627      2.00000
     14       0.2627      2.00000
     15       1.2945      2.00000
     16       1.2945      2.00000
     17       3.9191      2.00000
     18       3.9191      2.00000
     19       5.3182      2.00000
     20       5.3182      2.00000
     21      11.7435      0.00000
     22      11.7435      0.00000
     23      13.0644      0.00000
     24      13.0644      0.00000
     25      14.3806      0.00000
     26      14.3806      0.00000
     27      15.2272      0.00000
     28      15.2272      0.00000

 k-point   223 :       0.3750    0.5000    0.2500
  band No.  band energies     occupation 
      1     -13.7419      2.00000
      2     -13.7419      2.00000
      3     -11.8941      2.00000
      4     -11.8941      2.00000
      5      -7.4112      2.00000
      6      -7.4112      2.00000
      7      -5.3186      2.00000
      8      -5.3186      2.00000
      9      -2.2005      2.00000
     10      -2.2005      2.00000
     11      -1.1359      2.00000
     12      -1.1359      2.00000
     13       0.5063      2.00000
     14       0.5063      2.00000
     15       1.2701      2.00000
     16       1.2701      2.00000
     17       3.9357      2.00000
     18       3.9357      2.00000
     19       5.2726      2.00000
     20       5.2726      2.00000
     21      11.8589      0.00000
     22      11.8589      0.00000
     23      13.0626      0.00000
     24      13.0626      0.00000
     25      14.3393      0.00000
     26      14.3393      0.00000
     27      15.0562      0.00000
     28      15.0562      0.00000

 k-point   224 :       0.4375    0.5000    0.2500
  band No.  band energies     occupation 
      1     -13.6394      2.00000
      2     -13.6394      2.00000
      3     -12.0321      2.00000
      4     -12.0321      2.00000
      5      -7.3583      2.00000
      6      -7.3583      2.00000
      7      -5.5025      2.00000
      8      -5.5025      2.00000
      9      -1.8993      2.00000
     10      -1.8993      2.00000
     11      -1.3474      2.00000
     12      -1.3474      2.00000
     13       0.7498      2.00000
     14       0.7498      2.00000
     15       1.1962      2.00000
     16       1.1962      2.00000
     17       3.9588      2.00000
     18       3.9588      2.00000
     19       5.2234      2.00000
     20       5.2234      2.00000
     21      11.9375      0.00000
     22      11.9375      0.00000
     23      13.0699      0.00000
     24      13.0699      0.00000
     25      14.3966      0.00000
     26      14.3966      0.00000
     27      14.8480      0.00000
     28      14.8480      0.00000

 k-point   225 :       0.5000    0.5000    0.2500
  band No.  band energies     occupation 
      1     -13.5990      2.00000
      2     -13.5990      2.00000
      3     -12.0851      2.00000
      4     -12.0851      2.00000
      5      -7.3353      2.00000
      6      -7.3353      2.00000
      7      -5.5697      2.00000
      8      -5.5697      2.00000
      9      -1.6389      2.00000
     10      -1.6389      2.00000
     11      -1.5804      2.00000
     12      -1.5804      2.00000
     13       0.8888      2.00000
     14       0.8888      2.00000
     15       1.1201      2.00000
     16       1.1201      2.00000
     17       3.9704      2.00000
     18       3.9704      2.00000
     19       5.2015      2.00000
     20       5.2015      2.00000
     21      11.9651      0.00000
     22      11.9651      0.00000
     23      13.0748      0.00000
     24      13.0748      0.00000
     25      14.4737      0.00000
     26      14.4737      0.00000
     27      14.7151      0.00000
     28      14.7151      0.00000

 k-point   226 :       0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1     -14.3572      2.00000
      2     -13.3459      2.00000
      3     -12.1377      2.00000
      4     -11.2097      2.00000
      5      -7.9142      2.00000
      6      -6.9861      2.00000
      7      -5.4603      2.00000
      8      -4.5810      2.00000
      9      -3.1188      2.00000
     10      -1.6172      2.00000
     11      -1.2944      2.00000
     12      -0.6599      2.00000
     13      -0.4343      2.00000
     14       0.0858      2.00000
     15       1.2961      2.00000
     16       1.5836      2.00000
     17       3.6243      2.00000
     18       4.0680      2.00000
     19       5.0960      2.00000
     20       5.5970      2.00000
     21      11.2990      0.00000
     22      12.1443      0.00000
     23      12.3097      0.00000
     24      13.8741      0.00000
     25      13.9530      0.00000
     26      15.0628      0.00000
     27      15.0955      0.00000
     28      15.5618      0.00000

 k-point   227 :       0.3750    0.3125    0.3125
  band No.  band energies     occupation 
      1     -14.1631      2.00000
      2     -13.4023      2.00000
      3     -12.1424      2.00000
      4     -11.4351      2.00000
      5      -7.8071      2.00000
      6      -7.1029      2.00000
      7      -5.5659      2.00000
      8      -4.8908      2.00000
      9      -2.8110      2.00000
     10      -1.6298      2.00000
     11      -1.1591      2.00000
     12      -0.6151      2.00000
     13      -0.2525      2.00000
     14       0.2531      2.00000
     15       1.2185      2.00000
     16       1.5444      2.00000
     17       3.7140      2.00000
     18       4.0669      2.00000
     19       5.1277      2.00000
     20       5.4784      2.00000
     21      11.5065      0.00000
     22      12.0962      0.00000
     23      12.4258      0.00000
     24      13.6413      0.00000
     25      14.0037      0.00000
     26      14.8834      0.00000
     27      15.0571      0.00000
     28      15.4977      0.00000

 k-point   228 :       0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.9515      2.00000
      2     -13.5424      2.00000
      3     -12.0480      2.00000
      4     -11.6650      2.00000
      5      -7.6515      2.00000
      6      -7.2701      2.00000
      7      -5.5383      2.00000
      8      -5.1707      2.00000
      9      -2.4926      2.00000
     10      -1.8695      2.00000
     11      -0.9611      2.00000
     12      -0.6638      2.00000
     13       0.0123      2.00000
     14       0.3347      2.00000
     15       1.2004      2.00000
     16       1.4372      2.00000
     17       3.8343      2.00000
     18       4.0361      2.00000
     19       5.1688      2.00000
     20       5.3508      2.00000
     21      11.6910      0.00000
     22      11.9950      0.00000
     23      12.6707      0.00000
     24      13.3202      0.00000
     25      14.1481      0.00000
     26      14.6333      0.00000
     27      15.1092      0.00000
     28      15.3775      0.00000

 k-point   229 :       0.5000    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.7369      2.00000
      2     -13.7369      2.00000
      3     -11.8781      2.00000
      4     -11.8781      2.00000
      5      -7.4640      2.00000
      6      -7.4640      2.00000
      7      -5.3960      2.00000
      8      -5.3960      2.00000
      9      -2.1734      2.00000
     10      -2.1734      2.00000
     11      -0.7857      2.00000
     12      -0.7857      2.00000
     13       0.2384      2.00000
     14       0.2384      2.00000
     15       1.2959      2.00000
     16       1.2959      2.00000
     17       3.9545      2.00000
     18       3.9545      2.00000
     19       5.2414      2.00000
     20       5.2414      2.00000
     21      11.8551      0.00000
     22      11.8551      0.00000
     23      12.9851      0.00000
     24      12.9851      0.00000
     25      14.3665      0.00000
     26      14.3665      0.00000
     27      15.2326      0.00000
     28      15.2326      0.00000

 k-point   230 :       0.3750    0.3750    0.3125
  band No.  band energies     occupation 
      1     -13.9796      2.00000
      2     -13.3839      2.00000
      3     -12.2073      2.00000
      4     -11.6468      2.00000
      5      -7.7199      2.00000
      6      -7.1662      2.00000
      7      -5.7460      2.00000
      8      -5.2087      2.00000
      9      -2.4848      2.00000
     10      -1.4096      2.00000
     11      -1.1576      2.00000
     12      -0.5635      2.00000
     13      -0.1127      2.00000
     14       0.4181      2.00000
     15       1.1374      2.00000
     16       1.5078      2.00000
     17       3.7925      2.00000
     18       4.0731      2.00000
     19       5.1146      2.00000
     20       5.3630      2.00000
     21      11.6946      0.00000
     22      12.0726      0.00000
     23      12.5058      0.00000
     24      13.4987      0.00000
     25      14.0116      0.00000
     26      14.7851      0.00000
     27      15.0110      0.00000
     28      15.4517      0.00000

 k-point   231 :       0.4375    0.3750    0.3125
  band No.  band energies     occupation 
      1     -13.7850      2.00000
      2     -13.4523      2.00000
      3     -12.1743      2.00000
      4     -11.8590      2.00000
      5      -7.5864      2.00000
      6      -7.2759      2.00000
      7      -5.7874      2.00000
      8      -5.4844      2.00000
      9      -2.1576      2.00000
     10      -1.5533      2.00000
     11      -0.9859      2.00000
     12      -0.6284      2.00000
     13       0.1381      2.00000
     14       0.4911      2.00000
     15       1.1292      2.00000
     16       1.4046      2.00000
     17       3.8956      2.00000
     18       4.0580      2.00000
     19       5.1133      2.00000
     20       5.2441      2.00000
     21      11.8424      0.00000
     22      12.0263      0.00000
     23      12.6940      0.00000
     24      13.2369      0.00000
     25      14.1667      0.00000
     26      14.6351      0.00000
     27      15.0110      0.00000
     28      15.3054      0.00000

 k-point   232 :       0.5000    0.3750    0.3125
  band No.  band energies     occupation 
      1     -13.5986      2.00000
      2     -13.5986      2.00000
      3     -12.0462      2.00000
      4     -12.0462      2.00000
      5      -7.4274      2.00000
      6      -7.4274      2.00000
      7      -5.6892      2.00000
      8      -5.6892      2.00000
      9      -1.8400      2.00000
     10      -1.8400      2.00000
     11      -0.7790      2.00000
     12      -0.7790      2.00000
     13       0.3713      2.00000
     14       0.3713      2.00000
     15       1.2528      2.00000
     16       1.2528      2.00000
     17       3.9962      2.00000
     18       3.9962      2.00000
     19       5.1535      2.00000
     20       5.1535      2.00000
     21      11.9502      0.00000
     22      11.9502      0.00000
     23      12.9537      0.00000
     24      12.9537      0.00000
     25      14.3958      0.00000
     26      14.3958      0.00000
     27      15.1319      0.00000
     28      15.1319      0.00000

 k-point   233 :       0.3750    0.4375    0.3125
  band No.  band energies     occupation 
      1     -13.7850      2.00000
      2     -13.4523      2.00000
      3     -12.1743      2.00000
      4     -11.8590      2.00000
      5      -7.5865      2.00000
      6      -7.2761      2.00000
      7      -5.7870      2.00000
      8      -5.4842      2.00000
      9      -2.1556      2.00000
     10      -1.5416      2.00000
     11      -1.0097      2.00000
     12      -0.6403      2.00000
     13       0.1547      2.00000
     14       0.5133      2.00000
     15       1.1189      2.00000
     16       1.3994      2.00000
     17       3.8927      2.00000
     18       4.0544      2.00000
     19       5.1159      2.00000
     20       5.2470      2.00000
     21      11.8396      0.00000
     22      12.0247      0.00000
     23      12.7008      0.00000
     24      13.2455      0.00000
     25      14.1525      0.00000
     26      14.5987      0.00000
     27      15.0522      0.00000
     28      15.3114      0.00000

 k-point   234 :       0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1     -13.6197      2.00000
      2     -13.4236      2.00000
      3     -12.2303      2.00000
      4     -12.0429      2.00000
      5      -7.4851      2.00000
      6      -7.3028      2.00000
      7      -5.9177      2.00000
      8      -5.7389      2.00000
      9      -1.8265      2.00000
     10      -1.2994      2.00000
     11      -1.1561      2.00000
     12      -0.7529      2.00000
     13       0.3897      2.00000
     14       0.6655      2.00000
     15       1.0609      2.00000
     16       1.3009      2.00000
     17       3.9676      2.00000
     18       4.0625      2.00000
     19       5.0738      2.00000
     20       5.1445      2.00000
     21      11.9495      0.00000
     22      12.0343      0.00000
     23      12.8016      0.00000
     24      13.1125      0.00000
     25      14.2773      0.00000
     26      14.6019      0.00000
     27      14.9384      0.00000
     28      15.1419      0.00000

 k-point   235 :       0.5000    0.4375    0.3125
  band No.  band energies     occupation 
      1     -13.4857      2.00000
      2     -13.4857      2.00000
      3     -12.1809      2.00000
      4     -12.1809      2.00000
      5      -7.3775      2.00000
      6      -7.3775      2.00000
      7      -5.8971      2.00000
      8      -5.8971      2.00000
      9      -1.5179      2.00000
     10      -1.5179      2.00000
     11      -0.9532      2.00000
     12      -0.9532      2.00000
     13       0.6019      2.00000
     14       0.6019      2.00000
     15       1.1539      2.00000
     16       1.1539      2.00000
     17       4.0340      2.00000
     18       4.0340      2.00000
     19       5.0787      2.00000
     20       5.0787      2.00000
     21      12.0120      0.00000
     22      12.0120      0.00000
     23      12.9519      0.00000
     24      12.9519      0.00000
     25      14.4756      0.00000
     26      14.4756      0.00000
     27      14.9687      0.00000
     28      14.9687      0.00000

 k-point   236 :       0.3750    0.5000    0.3125
  band No.  band energies     occupation 
      1     -13.5986      2.00000
      2     -13.5986      2.00000
      3     -12.0462      2.00000
      4     -12.0462      2.00000
      5      -7.4276      2.00000
      6      -7.4276      2.00000
      7      -5.6887      2.00000
      8      -5.6887      2.00000
      9      -1.8336      2.00000
     10      -1.8336      2.00000
     11      -0.8015      2.00000
     12      -0.8015      2.00000
     13       0.3999      2.00000
     14       0.3999      2.00000
     15       1.2414      2.00000
     16       1.2414      2.00000
     17       3.9907      2.00000
     18       3.9907      2.00000
     19       5.1581      2.00000
     20       5.1581      2.00000
     21      11.9470      0.00000
     22      11.9470      0.00000
     23      12.9644      0.00000
     24      12.9644      0.00000
     25      14.3657      0.00000
     26      14.3657      0.00000
     27      15.1635      0.00000
     28      15.1635      0.00000

 k-point   237 :       0.4375    0.5000    0.3125
  band No.  band energies     occupation 
      1     -13.4857      2.00000
      2     -13.4857      2.00000
      3     -12.1809      2.00000
      4     -12.1809      2.00000
      5      -7.3776      2.00000
      6      -7.3776      2.00000
      7      -5.8969      2.00000
      8      -5.8969      2.00000
      9      -1.5112      2.00000
     10      -1.5112      2.00000
     11      -0.9661      2.00000
     12      -0.9661      2.00000
     13       0.6175      2.00000
     14       0.6175      2.00000
     15       1.1449      2.00000
     16       1.1449      2.00000
     17       4.0311      2.00000
     18       4.0311      2.00000
     19       5.0811      2.00000
     20       5.0811      2.00000
     21      12.0107      0.00000
     22      12.0107      0.00000
     23      12.9563      0.00000
     24      12.9563      0.00000
     25      14.4541      0.00000
     26      14.4541      0.00000
     27      14.9935      0.00000
     28      14.9935      0.00000

 k-point   238 :       0.5000    0.5000    0.3125
  band No.  band energies     occupation 
      1     -13.4399      2.00000
      2     -13.4399      2.00000
      3     -12.2347      2.00000
      4     -12.2347      2.00000
      5      -7.3535      2.00000
      6      -7.3535      2.00000
      7      -5.9744      2.00000
      8      -5.9744      2.00000
      9      -1.2445      2.00000
     10      -1.2445      2.00000
     11      -1.1864      2.00000
     12      -1.1864      2.00000
     13       0.7455      2.00000
     14       0.7455      2.00000
     15       1.0670      2.00000
     16       1.0670      2.00000
     17       4.0500      2.00000
     18       4.0500      2.00000
     19       5.0484      2.00000
     20       5.0484      2.00000
     21      12.0330      0.00000
     22      12.0330      0.00000
     23      12.9552      0.00000
     24      12.9552      0.00000
     25      14.5438      0.00000
     26      14.5438      0.00000
     27      14.8640      0.00000
     28      14.8640      0.00000

 k-point   239 :       0.3750    0.3750    0.3750
  band No.  band energies     occupation 
      1     -13.8017      2.00000
      2     -13.3158      2.00000
      3     -12.3047      2.00000
      4     -11.8427      2.00000
      5      -7.6525      2.00000
      6      -7.1982      2.00000
      7      -5.9846      2.00000
      8      -5.5390      2.00000
      9      -2.1369      2.00000
     10      -1.1455      2.00000
     11      -0.9946      2.00000
     12      -0.4384      2.00000
     13      -0.1204      2.00000
     14       0.5403      2.00000
     15       1.0200      2.00000
     16       1.4599      2.00000
     17       3.8751      2.00000
     18       4.0972      2.00000
     19       5.0542      2.00000
     20       5.2355      2.00000
     21      11.8706      0.00000
     22      12.0712      0.00000
     23      12.5244      0.00000
     24      13.3624      0.00000
     25      14.0448      0.00000
     26      14.7634      0.00000
     27      15.0180      0.00000
     28      15.4985      0.00000

 k-point   240 :       0.4375    0.3750    0.3750
  band No.  band energies     occupation 
      1     -13.6159      2.00000
      2     -13.3322      2.00000
      3     -12.3120      2.00000
      4     -12.0403      2.00000
      5      -7.5353      2.00000
      6      -7.2687      2.00000
      7      -6.0809      2.00000
      8      -5.8182      2.00000
      9      -1.7977      2.00000
     10      -1.2139      2.00000
     11      -0.8094      2.00000
     12      -0.4675      2.00000
     13       0.0990      2.00000
     14       0.5696      2.00000
     15       1.0042      2.00000
     16       1.3442      2.00000
     17       3.9735      2.00000
     18       4.1035      2.00000
     19       5.0130      2.00000
     20       5.1126      2.00000
     21      11.9869      0.00000
     22      12.0657      0.00000
     23      12.6585      0.00000
     24      13.1320      0.00000
     25      14.2114      0.00000
     26      14.6665      0.00000
     27      15.0593      0.00000
     28      15.3787      0.00000

 k-point   241 :       0.5000    0.3750    0.3750
  band No.  band energies     occupation 
      1     -13.4459      2.00000
      2     -13.4459      2.00000
      3     -12.2109      2.00000
      4     -12.2109      2.00000
      5      -7.3932      2.00000
      6      -7.3932      2.00000
      7      -6.0137      2.00000
      8      -6.0137      2.00000
      9      -1.4800      2.00000
     10      -1.4800      2.00000
     11      -0.6054      2.00000
     12      -0.6054      2.00000
     13       0.3734      2.00000
     14       0.3734      2.00000
     15       1.1699      2.00000
     16       1.1699      2.00000
     17       4.0612      2.00000
     18       4.0612      2.00000
     19       5.0292      2.00000
     20       5.0292      2.00000
     21      12.0427      0.00000
     22      12.0427      0.00000
     23      12.8804      0.00000
     24      12.8804      0.00000
     25      14.4473      0.00000
     26      14.4473      0.00000
     27      15.1981      0.00000
     28      15.1982      0.00000

 k-point   242 :       0.4375    0.4375    0.3750
  band No.  band energies     occupation 
      1     -13.4470      2.00000
      2     -13.2685      2.00000
      3     -12.3908      2.00000
      4     -12.2184      2.00000
      5      -7.4382      2.00000
      6      -7.2702      2.00000
      7      -6.2556      2.00000
      8      -6.0892      2.00000
      9      -1.4584      2.00000
     10      -0.9784      2.00000
     11      -0.8241      2.00000
     12      -0.4868      2.00000
     13       0.2578      2.00000
     14       0.6504      2.00000
     15       0.9164      2.00000
     16       1.2237      2.00000
     17       4.0625      2.00000
     18       4.1411      2.00000
     19       4.9306      2.00000
     20       4.9888      2.00000
     21      12.0872      0.00000
     22      12.1034      0.00000
     23      12.6994      0.00000
     24      12.9812      0.00000
     25      14.3652      0.00000
     26      14.7110      0.00000
     27      15.0324      0.00000
     28      15.2874      0.00000

 k-point   243 :       0.5000    0.4375    0.3750
  band No.  band energies     occupation 
      1     -13.3128      2.00000
      2     -13.3128      2.00000
      3     -12.3541      2.00000
      4     -12.3541      2.00000
      5      -7.3312      2.00000
      6      -7.3312      2.00000
      7      -6.2543      2.00000
      8      -6.2543      2.00000
      9      -1.1572      2.00000
     10      -1.1572      2.00000
     11      -0.6409      2.00000
     12      -0.6409      2.00000
     13       0.4955      2.00000
     14       0.4955      2.00000
     15       1.0513      2.00000
     16       1.0513      2.00000
     17       4.1307      2.00000
     18       4.1307      2.00000
     19       4.9160      2.00000
     20       4.9160      2.00000
     21      12.1190      0.00000
     22      12.1190      0.00000
     23      12.8215      0.00000
     24      12.8215      0.00000
     25      14.5827      0.00000
     26      14.5827      0.00000
     27      15.1095      0.00000
     28      15.1096      0.00000

 k-point   244 :       0.4375    0.5000    0.3750
  band No.  band energies     occupation 
      1     -13.3128      2.00000
      2     -13.3128      2.00000
      3     -12.3541      2.00000
      4     -12.3541      2.00000
      5      -7.3313      2.00000
      6      -7.3313      2.00000
      7      -6.2542      2.00000
      8      -6.2542      2.00000
      9      -1.1550      2.00000
     10      -1.1550      2.00000
     11      -0.6456      2.00000
     12      -0.6456      2.00000
     13       0.5007      2.00000
     14       0.5007      2.00000
     15       1.0487      2.00000
     16       1.0487      2.00000
     17       4.1299      2.00000
     18       4.1299      2.00000
     19       4.9168      2.00000
     20       4.9168      2.00000
     21      12.1186      0.00000
     22      12.1186      0.00000
     23      12.8223      0.00000
     24      12.8223      0.00000
     25      14.5757      0.00000
     26      14.5757      0.00000
     27      15.1219      0.00000
     28      15.1221      0.00000

 k-point   245 :       0.5000    0.5000    0.3750
  band No.  band energies     occupation 
      1     -13.2549      2.00000
      2     -13.2549      2.00000
      3     -12.4161      2.00000
      4     -12.4161      2.00000
      5      -7.2970      2.00000
      6      -7.2970      2.00000
      7      -6.3486      2.00000
      8      -6.3486      2.00000
      9      -0.9371      2.00000
     10      -0.9371      2.00000
     11      -0.7829      2.00000
     12      -0.7829      2.00000
     13       0.6079      2.00000
     14       0.6079      2.00000
     15       0.9612      2.00000
     16       0.9612      2.00000
     17       4.1628      2.00000
     18       4.1628      2.00000
     19       4.8678      2.00000
     20       4.8678      2.00000
     21      12.1484      0.00000
     22      12.1484      0.00000
     23      12.7999      0.00000
     24      12.7999      0.00000
     25      14.6878      0.00000
     26      14.6878      0.00000
     27      15.0029      0.00000
     28      15.0029      0.00000

 k-point   246 :       0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1     -13.2726      2.00000
      2     -13.1447      2.00000
      3     -12.5211      2.00000
      4     -12.3963      2.00000
      5      -7.3378      2.00000
      6      -7.2166      2.00000
      7      -6.4969      2.00000
      8      -6.3763      2.00000
      9      -1.1250      2.00000
     10      -0.7176      2.00000
     11      -0.6944      2.00000
     12      -0.3970      2.00000
     13       0.2829      2.00000
     14       0.7009      2.00000
     15       0.7513      2.00000
     16       1.0881      2.00000
     17       4.1692      2.00000
     18       4.2213      2.00000
     19       4.8010      2.00000
     20       4.8406      2.00000
     21      12.1807      0.00000
     22      12.2056      0.00000
     23      12.6444      0.00000
     24      12.8288      0.00000
     25      14.5363      0.00000
     26      14.8317      0.00000
     27      15.0778      0.00000
     28      15.3273      0.00000

 k-point   247 :       0.5000    0.4375    0.4375
  band No.  band energies     occupation 
      1     -13.1423      2.00000
      2     -13.1423      2.00000
      3     -12.5272      2.00000
      4     -12.5272      2.00000
      5      -7.2328      2.00000
      6      -7.2328      2.00000
      7      -6.5440      2.00000
      8      -6.5440      2.00000
      9      -0.8514      2.00000
     10      -0.8514      2.00000
     11      -0.4935      2.00000
     12      -0.4935      2.00000
     13       0.4831      2.00000
     14       0.4831      2.00000
     15       0.9076      2.00000
     16       0.9076      2.00000
     17       4.2428      2.00000
     18       4.2428      2.00000
     19       4.7566      2.00000
     20       4.7566      2.00000
     21      12.2340      0.00000
     22      12.2340      0.00000
     23      12.6942      0.00000
     24      12.6942      0.00000
     25      14.7500      0.00000
     26      14.7500      0.00000
     27      15.1829      0.00000
     28      15.1836      0.00000

 k-point   248 :       0.5000    0.5000    0.4375
  band No.  band energies     occupation 
      1     -13.0506      2.00000
      2     -13.0506      2.00000
      3     -12.6202      2.00000
      4     -12.6202      2.00000
      5      -7.1624      2.00000
      6      -7.1624      2.00000
      7      -6.6789      2.00000
      8      -6.6789      2.00000
      9      -0.6755      2.00000
     10      -0.6755      2.00000
     11      -0.5231      2.00000
     12      -0.5231      2.00000
     13       0.5437      2.00000
     14       0.5437      2.00000
     15       0.8031      2.00000
     16       0.8031      2.00000
     17       4.3085      2.00000
     18       4.3085      2.00000
     19       4.6736      2.00000
     20       4.6736      2.00000
     21      12.2952      0.00000
     22      12.2952      0.00000
     23      12.6295      0.00000
     24      12.6295      0.00000
     25      14.8835      0.00000
     26      14.8835      0.00000
     27      15.1218      0.00000
     28      15.1219      0.00000

 k-point   249 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1     -12.8356      2.00000
      2     -12.8356      2.00000
      3     -12.8356      2.00000
      4     -12.8356      2.00000
      5      -6.9535      2.00000
      6      -6.9535      2.00000
      7      -6.9535      2.00000
      8      -6.9535      2.00000
      9      -0.5042      2.00000
     10      -0.5042      2.00000
     11      -0.5042      2.00000
     12      -0.5042      2.00000
     13       0.6298      2.00000
     14       0.6298      2.00000
     15       0.6298      2.00000
     16       0.6298      2.00000
     17       4.4822      2.00000
     18       4.4822      2.00000
     19       4.4822      2.00000
     20       4.4822      2.00000
     21      12.4586      0.00000
     22      12.4586      0.00000
     23      12.4586      0.00000
     24      12.4586      0.00000
     25      15.0775      0.00000
     26      15.0775      0.00000
     27      15.0776      0.00000
     28      15.0777      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
 
 pseudopotential strength for first ion, spin component:           1
  9.725  12.922   0.003   0.003   0.003  -0.008  -0.008  -0.008
 12.922  17.168   0.004   0.004   0.004  -0.011  -0.011  -0.011
  0.003   0.004  -3.933   0.003   0.003   7.708  -0.006  -0.006
  0.003   0.004   0.003  -3.933   0.003  -0.006   7.708  -0.006
  0.003   0.004   0.003   0.003  -3.933  -0.006  -0.006   7.708
 -0.008  -0.011   7.708  -0.006  -0.006 -17.217   0.013   0.013
 -0.008  -0.011  -0.006   7.708  -0.006   0.013 -17.217   0.013
 -0.008  -0.011  -0.006  -0.006   7.708   0.013   0.013 -17.217
 total augmentation occupancy for first ion, spin component:           1
  7.219  -3.187  -0.049  -0.049  -0.049   0.003   0.003   0.003
 -3.187   1.502  -0.018  -0.018  -0.018  -0.005  -0.005  -0.005
 -0.049  -0.018   1.520   0.085   0.085   0.132  -0.005  -0.005
 -0.049  -0.018   0.085   1.520   0.085  -0.005   0.132  -0.005
 -0.049  -0.018   0.085   0.085   1.520  -0.005  -0.005   0.132
  0.003  -0.005   0.132  -0.005  -0.005   0.013  -0.002  -0.002
  0.003  -0.005  -0.005   0.132  -0.005  -0.002   0.013  -0.002
  0.003  -0.005  -0.005  -0.005   0.132  -0.002  -0.002   0.013


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


    CHARGE:  cpu time    0.1175: real time    0.1179
    FORLOC:  cpu time    0.0025: real time    0.0025
    FORNL :  cpu time    0.1958: real time    0.1966
    STRESS:  cpu time    0.8198: real time    0.8219
    FORCOR:  cpu time    0.0152: real time    0.0153
    FORHAR:  cpu time    0.0048: real time    0.0049
    MIXING:  cpu time    0.0011: real time    0.0011
    OFIELD:  cpu time    0.0001: real time    0.0002

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

         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)   -1.56280

 E6    (eV) :    -1.1684
 E8    (eV) :    -0.3944
 % E8        : 25.24
    FORVDW:  cpu time    0.1608: real time    0.1632

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   109.06329   109.06329   109.06329
  Ewald    -512.24417  -512.24417  -512.24417    -0.00000    -0.00000    -0.00000
  Hartree   122.53675   122.53675   122.53675    -0.00000    -0.00000    -0.00000
  E(xc)    -160.16718  -160.16718  -160.16718     0.00000     0.00000     0.00000
  Local    -174.51715  -174.51715  -174.51715     0.00000     0.00000     0.00000
  n-local   -80.13652   -79.73720   -79.18274     0.12175     0.07019     0.06776
  augment     3.52831     3.52831     3.52831     0.00000     0.00000     0.00000
  Kinetic   695.40531   693.03364   685.72346    -1.16691    -0.72802    -0.75817
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -1.59736    -1.59736    -1.59736    -0.00000    -0.00000    -0.00000
  -------------------------------------------------------------------------------------
  Total      -1.69553    -1.69553    -1.69553     0.00000     0.00000     0.00000
  in kB     -41.59093   -41.59093   -41.59093     0.00000     0.00000     0.00000
  external pressure =      -41.59 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      800.00
  volume of cell :       65.32
      direct lattice vectors                 reciprocal lattice vectors
     4.027221203  0.000000000  0.000000000     0.248310175  0.000000000  0.000000000
     0.000000000  4.027221203  0.000000000     0.000000000  0.248310175  0.000000000
     0.000000000  0.000000000  4.027221203     0.000000000  0.000000000  0.248310175

  length of vectors
     4.027221203  4.027221203  4.027221203     0.248310175  0.248310175  0.248310175


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.179E+02 0.179E+02 0.179E+02   -.206E+02 -.206E+02 -.206E+02   0.279E+01 0.279E+01 0.279E+01   0.800E-05 0.800E-05 0.800E-05
   -.179E+02 -.179E+02 0.179E+02   0.206E+02 0.206E+02 -.206E+02   -.279E+01 -.279E+01 0.279E+01   -.800E-05 -.800E-05 0.800E-05
   -.179E+02 0.179E+02 -.179E+02   0.206E+02 -.206E+02 0.206E+02   -.279E+01 0.279E+01 -.279E+01   -.800E-05 0.800E-05 -.800E-05
   0.179E+02 -.179E+02 -.179E+02   -.206E+02 0.206E+02 0.206E+02   0.279E+01 -.279E+01 -.279E+01   0.800E-05 -.800E-05 -.800E-05
   0.205E+02 0.205E+02 0.205E+02   -.239E+02 -.239E+02 -.239E+02   0.344E+01 0.344E+01 0.344E+01   -.425E-05 -.425E-05 -.425E-05
   -.205E+02 -.205E+02 0.205E+02   0.239E+02 0.239E+02 -.239E+02   -.344E+01 -.344E+01 0.344E+01   0.425E-05 0.425E-05 -.425E-05
   -.205E+02 0.205E+02 -.205E+02   0.239E+02 -.239E+02 0.239E+02   -.344E+01 0.344E+01 -.344E+01   0.425E-05 -.425E-05 0.425E-05
   0.205E+02 -.205E+02 -.205E+02   -.239E+02 0.239E+02 0.239E+02   0.344E+01 -.344E+01 -.344E+01   -.425E-05 0.425E-05 0.425E-05
   0.175E+02 0.175E+02 0.175E+02   -.226E+02 -.226E+02 -.226E+02   0.518E+01 0.518E+01 0.518E+01   -.264E-05 -.264E-05 -.264E-05
   -.175E+02 -.175E+02 0.175E+02   0.226E+02 0.226E+02 -.226E+02   -.518E+01 -.518E+01 0.518E+01   0.264E-05 0.264E-05 -.264E-05
   -.175E+02 0.175E+02 -.175E+02   0.226E+02 -.226E+02 0.226E+02   -.518E+01 0.518E+01 -.518E+01   0.264E-05 -.264E-05 0.264E-05
   0.175E+02 -.175E+02 -.175E+02   -.226E+02 0.226E+02 0.226E+02   0.518E+01 -.518E+01 -.518E+01   -.264E-05 0.264E-05 0.264E-05
 -----------------------------------------------------------------------------------------------
   0.219E-05 0.218E-05 0.217E-05   0.355E-14 0.213E-13 -.213E-13   -.888E-15 0.178E-14 0.000E+00   0.714E-12 0.693E-12 0.746E-12
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.30120      0.30120      0.30120         0.074232      0.074232      0.074232
      1.71241      3.72603      2.31481        -0.074232     -0.074232      0.074232
      3.72603      2.31481      1.71241        -0.074232      0.074232     -0.074232
      2.31481      1.71241      3.72603         0.074232     -0.074232     -0.074232
      3.69594      3.69594      3.69594         0.080016      0.080016      0.080016
      2.34489      0.33128      1.68233        -0.080016     -0.080016      0.080016
      0.33128      1.68233      2.34489        -0.080016      0.080016     -0.080016
      1.68233      2.34489      0.33128         0.080016     -0.080016     -0.080016
      2.46397      2.46397      2.46397         0.048194      0.048194      0.048194
      3.57686      1.56325      0.45036        -0.048194     -0.048194      0.048194
      1.56325      0.45036      3.57686        -0.048194      0.048194     -0.048194
      0.45036      3.57686      1.56325         0.048194     -0.048194     -0.048194
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000002      0.000002


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -82.62962681 eV

  energy  without entropy=      -82.62962681  energy(sigma->0) =      -82.62962681
  enthalpy is  TOTEN    =       -82.62958604 eV   P V=        0.00004077



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


    POTLOK:  cpu time    0.0155: real time    0.0155


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


     LOOP+:  cpu time   41.2053: real time   41.3486
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    80521. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      21216. kBytes
   fftplans  :       1345. kBytes
   grid      :       2409. kBytes
   one-center:          6. kBytes
   wavefun   :      25545. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       43.654
                            User time (sec):       42.761
                          System time (sec):        0.893
                         Elapsed time (sec):       43.921
  
                   Maximum memory used (kb):      144888.
                   Average memory used (kb):           0.
  
                          Minor page faults:        45113
                          Major page faults:            0
                 Voluntary context switches:         2616
