 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Aug 01 2018 12:10:22) complex          
  
 executed on        TETRALITH-B01 date 2021.09.25  19:55:12
 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 cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.576  0.900  0.984-   5 1.12  12 1.45   9 1.47  10 1.48
   2  0.076  0.076  0.024-   6 1.12  11 1.45  10 1.47   9 1.48
   3  0.576  0.400  0.024-   7 1.12  10 1.45  11 1.47  12 1.48
   4  0.076  0.576  0.984-   8 1.12   9 1.45  12 1.47  11 1.48
   5  0.653  0.999  0.951-   1 1.12
   6  0.153  0.977  0.057-   2 1.12
   7  0.653  0.499  0.057-   3 1.12
   8  0.152  0.477  0.951-   4 1.12
   9  0.209  0.890  0.987-   4 1.45   1 1.47   2 1.48
  10  0.709  0.086  0.022-   3 1.45   2 1.47   1 1.48
  11  0.209  0.390  0.022-   2 1.45   3 1.47   4 1.48
  12  0.709  0.586  0.987-   1 1.45   4 1.47   3 1.48
 
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     4.0010948181
 B/A-ratio  =     1.0768179439
 C/A-ratio  =     7.4979477778
  
  Lattice vectors:
  
 A1 = (   4.0010948181,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.3084506953,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  30.0000000000)


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 orthorhombic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry C_1 .


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 orthorhombic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


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

 
 

Automatic generation of k-mesh.
 generate k-points for:   18   17    3
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    460 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.055556  0.000000  0.000000      2.000000
  0.111111  0.000000  0.000000      2.000000
  0.166667  0.000000  0.000000      2.000000
  0.222222  0.000000  0.000000      2.000000
  0.277778  0.000000  0.000000      2.000000
  0.333333  0.000000  0.000000      2.000000
  0.388889  0.000000  0.000000      2.000000
  0.444444  0.000000  0.000000      2.000000
  0.500000  0.000000  0.000000      1.000000
  0.000000  0.058824  0.000000      2.000000
  0.055556  0.058824  0.000000      2.000000
  0.111111  0.058824  0.000000      2.000000
  0.166667  0.058824  0.000000      2.000000
  0.222222  0.058824  0.000000      2.000000
  0.277778  0.058824  0.000000      2.000000
  0.333333  0.058824  0.000000      2.000000
  0.388889  0.058824  0.000000      2.000000
  0.444444  0.058824  0.000000      2.000000
  0.500000  0.058824  0.000000      2.000000
 -0.444444  0.058824  0.000000      2.000000
 -0.388889  0.058824  0.000000      2.000000
 -0.333333  0.058824  0.000000      2.000000
 -0.277778  0.058824  0.000000      2.000000
 -0.222222  0.058824  0.000000      2.000000
 -0.166667  0.058824  0.000000      2.000000
 -0.111111  0.058824  0.000000      2.000000
 -0.055556  0.058824  0.000000      2.000000
  0.000000  0.117647  0.000000      2.000000
  0.055556  0.117647  0.000000      2.000000
  0.111111  0.117647  0.000000      2.000000
  0.166667  0.117647  0.000000      2.000000
  0.222222  0.117647  0.000000      2.000000
  0.277778  0.117647  0.000000      2.000000
  0.333333  0.117647  0.000000      2.000000
  0.388889  0.117647  0.000000      2.000000
  0.444444  0.117647  0.000000      2.000000
  0.500000  0.117647  0.000000      2.000000
 -0.444444  0.117647  0.000000      2.000000
 -0.388889  0.117647  0.000000      2.000000
 -0.333333  0.117647  0.000000      2.000000
 -0.277778  0.117647  0.000000      2.000000
 -0.222222  0.117647  0.000000      2.000000
 -0.166667  0.117647  0.000000      2.000000
 -0.111111  0.117647  0.000000      2.000000
 -0.055556  0.117647  0.000000      2.000000
  0.000000  0.176471  0.000000      2.000000
  0.055556  0.176471  0.000000      2.000000
  0.111111  0.176471  0.000000      2.000000
  0.166667  0.176471  0.000000      2.000000
  0.222222  0.176471  0.000000      2.000000
  0.277778  0.176471  0.000000      2.000000
  0.333333  0.176471  0.000000      2.000000
  0.388889  0.176471  0.000000      2.000000
  0.444444  0.176471  0.000000      2.000000
  0.500000  0.176471  0.000000      2.000000
 -0.444444  0.176471  0.000000      2.000000
 -0.388889  0.176471  0.000000      2.000000
 -0.333333  0.176471  0.000000      2.000000
 -0.277778  0.176471  0.000000      2.000000
 -0.222222  0.176471  0.000000      2.000000
 -0.166667  0.176471  0.000000      2.000000
 -0.111111  0.176471  0.000000      2.000000
 -0.055556  0.176471  0.000000      2.000000
  0.000000  0.235294  0.000000      2.000000
  0.055556  0.235294  0.000000      2.000000
  0.111111  0.235294  0.000000      2.000000
  0.166667  0.235294  0.000000      2.000000
  0.222222  0.235294  0.000000      2.000000
  0.277778  0.235294  0.000000      2.000000
  0.333333  0.235294  0.000000      2.000000
  0.388889  0.235294  0.000000      2.000000
  0.444444  0.235294  0.000000      2.000000
  0.500000  0.235294  0.000000      2.000000
 -0.444444  0.235294  0.000000      2.000000
 -0.388889  0.235294  0.000000      2.000000
 -0.333333  0.235294  0.000000      2.000000
 -0.277778  0.235294  0.000000      2.000000
 -0.222222  0.235294  0.000000      2.000000
 -0.166667  0.235294  0.000000      2.000000
 -0.111111  0.235294  0.000000      2.000000
 -0.055556  0.235294  0.000000      2.000000
  0.000000  0.294118  0.000000      2.000000
  0.055556  0.294118  0.000000      2.000000
  0.111111  0.294118  0.000000      2.000000
  0.166667  0.294118  0.000000      2.000000
  0.222222  0.294118  0.000000      2.000000
  0.277778  0.294118  0.000000      2.000000
  0.333333  0.294118  0.000000      2.000000
  0.388889  0.294118  0.000000      2.000000
  0.444444  0.294118  0.000000      2.000000
  0.500000  0.294118  0.000000      2.000000
 -0.444444  0.294118  0.000000      2.000000
 -0.388889  0.294118  0.000000      2.000000
 -0.333333  0.294118  0.000000      2.000000
 -0.277778  0.294118  0.000000      2.000000
 -0.222222  0.294118  0.000000      2.000000
 -0.166667  0.294118  0.000000      2.000000
 -0.111111  0.294118  0.000000      2.000000
 -0.055556  0.294118  0.000000      2.000000
  0.000000  0.352941  0.000000      2.000000
  0.055556  0.352941  0.000000      2.000000
  0.111111  0.352941  0.000000      2.000000
  0.166667  0.352941  0.000000      2.000000
  0.222222  0.352941  0.000000      2.000000
  0.277778  0.352941  0.000000      2.000000
  0.333333  0.352941  0.000000      2.000000
  0.388889  0.352941  0.000000      2.000000
  0.444444  0.352941  0.000000      2.000000
  0.500000  0.352941  0.000000      2.000000
 -0.444444  0.352941  0.000000      2.000000
 -0.388889  0.352941  0.000000      2.000000
 -0.333333  0.352941  0.000000      2.000000
 -0.277778  0.352941  0.000000      2.000000
 -0.222222  0.352941  0.000000      2.000000
 -0.166667  0.352941  0.000000      2.000000
 -0.111111  0.352941  0.000000      2.000000
 -0.055556  0.352941  0.000000      2.000000
  0.000000  0.411765  0.000000      2.000000
  0.055556  0.411765  0.000000      2.000000
  0.111111  0.411765  0.000000      2.000000
  0.166667  0.411765  0.000000      2.000000
  0.222222  0.411765  0.000000      2.000000
  0.277778  0.411765  0.000000      2.000000
  0.333333  0.411765  0.000000      2.000000
  0.388889  0.411765  0.000000      2.000000
  0.444444  0.411765  0.000000      2.000000
  0.500000  0.411765  0.000000      2.000000
 -0.444444  0.411765  0.000000      2.000000
 -0.388889  0.411765  0.000000      2.000000
 -0.333333  0.411765  0.000000      2.000000
 -0.277778  0.411765  0.000000      2.000000
 -0.222222  0.411765  0.000000      2.000000
 -0.166667  0.411765  0.000000      2.000000
 -0.111111  0.411765  0.000000      2.000000
 -0.055556  0.411765  0.000000      2.000000
  0.000000  0.470588  0.000000      2.000000
  0.055556  0.470588  0.000000      2.000000
  0.111111  0.470588  0.000000      2.000000
  0.166667  0.470588  0.000000      2.000000
  0.222222  0.470588  0.000000      2.000000
  0.277778  0.470588  0.000000      2.000000
  0.333333  0.470588  0.000000      2.000000
  0.388889  0.470588  0.000000      2.000000
  0.444444  0.470588  0.000000      2.000000
  0.500000  0.470588  0.000000      2.000000
 -0.444444  0.470588  0.000000      2.000000
 -0.388889  0.470588  0.000000      2.000000
 -0.333333  0.470588  0.000000      2.000000
 -0.277778  0.470588  0.000000      2.000000
 -0.222222  0.470588  0.000000      2.000000
 -0.166667  0.470588  0.000000      2.000000
 -0.111111  0.470588  0.000000      2.000000
 -0.055556  0.470588  0.000000      2.000000
  0.000000  0.000000  0.333333      2.000000
  0.055556  0.000000  0.333333      2.000000
  0.111111  0.000000  0.333333      2.000000
  0.166667  0.000000  0.333333      2.000000
  0.222222  0.000000  0.333333      2.000000
  0.277778  0.000000  0.333333      2.000000
  0.333333  0.000000  0.333333      2.000000
  0.388889  0.000000  0.333333      2.000000
  0.444444  0.000000  0.333333      2.000000
  0.500000  0.000000  0.333333      2.000000
 -0.444444  0.000000  0.333333      2.000000
 -0.388889  0.000000  0.333333      2.000000
 -0.333333  0.000000  0.333333      2.000000
 -0.277778  0.000000  0.333333      2.000000
 -0.222222  0.000000  0.333333      2.000000
 -0.166667  0.000000  0.333333      2.000000
 -0.111111  0.000000  0.333333      2.000000
 -0.055556  0.000000  0.333333      2.000000
  0.000000  0.058824  0.333333      2.000000
  0.055556  0.058824  0.333333      2.000000
  0.111111  0.058824  0.333333      2.000000
  0.166667  0.058824  0.333333      2.000000
  0.222222  0.058824  0.333333      2.000000
  0.277778  0.058824  0.333333      2.000000
  0.333333  0.058824  0.333333      2.000000
  0.388889  0.058824  0.333333      2.000000
  0.444444  0.058824  0.333333      2.000000
  0.500000  0.058824  0.333333      2.000000
 -0.444444  0.058824  0.333333      2.000000
 -0.388889  0.058824  0.333333      2.000000
 -0.333333  0.058824  0.333333      2.000000
 -0.277778  0.058824  0.333333      2.000000
 -0.222222  0.058824  0.333333      2.000000
 -0.166667  0.058824  0.333333      2.000000
 -0.111111  0.058824  0.333333      2.000000
 -0.055556  0.058824  0.333333      2.000000
  0.000000  0.117647  0.333333      2.000000
  0.055556  0.117647  0.333333      2.000000
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    460   k-points in BZ     NKDIM =    460   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 = 448000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  10858
   dimension x,y,z NGX =    40 NGY =   40 NGZ =  280
   dimension x,y,z NGXF=    80 NGYF=   80 NGZF=  560
   support grid    NGXF=    80 NGYF=   80 NGZF=  560
   ions per type =               4   4   4
   NGX,Y,Z   is equivalent  to a cutoff of  16.62, 15.43, 15.52 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  33.24, 30.87, 31.03 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.   9.23  9.94 69.19*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=  -0.366E-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.               =      43.10       290.83
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.697516  1.318115  6.619631  0.486529
  Thomas-Fermi vector in A             =   1.780865
 
 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 :      517.16
      direct lattice vectors                 reciprocal lattice vectors
     4.001094818  0.000000000  0.000000000     0.249931593  0.000000000  0.000000000
     0.000000000  4.308450695  0.000000000     0.000000000  0.232101995  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     4.001094818  4.308450695 30.000000000     0.249931593  0.232101995  0.033333333


 
 k-points in units of 2pi/SCALE and weight: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.001
   0.01388509  0.00000000  0.00000000       0.002
   0.02777018  0.00000000  0.00000000       0.002
   0.04165527  0.00000000  0.00000000       0.002
   0.05554035  0.00000000  0.00000000       0.002
   0.06942544  0.00000000  0.00000000       0.002
   0.08331053  0.00000000  0.00000000       0.002
   0.09719562  0.00000000  0.00000000       0.002
   0.11108071  0.00000000  0.00000000       0.002
   0.12496580  0.00000000  0.00000000       0.001
   0.00000000  0.01365306  0.00000000       0.002
   0.01388509  0.01365306  0.00000000       0.002
   0.02777018  0.01365306  0.00000000       0.002
   0.04165527  0.01365306  0.00000000       0.002
   0.05554035  0.01365306  0.00000000       0.002
   0.06942544  0.01365306  0.00000000       0.002
   0.08331053  0.01365306  0.00000000       0.002
   0.09719562  0.01365306  0.00000000       0.002
   0.11108071  0.01365306  0.00000000       0.002
   0.12496580  0.01365306  0.00000000       0.002
  -0.11108071  0.01365306  0.00000000       0.002
  -0.09719562  0.01365306  0.00000000       0.002
  -0.08331053  0.01365306  0.00000000       0.002
  -0.06942544  0.01365306  0.00000000       0.002
  -0.05554035  0.01365306  0.00000000       0.002
  -0.04165527  0.01365306  0.00000000       0.002
  -0.02777018  0.01365306  0.00000000       0.002
  -0.01388509  0.01365306  0.00000000       0.002
   0.00000000  0.02730612  0.00000000       0.002
   0.01388509  0.02730612  0.00000000       0.002
   0.02777018  0.02730612  0.00000000       0.002
   0.04165527  0.02730612  0.00000000       0.002
   0.05554035  0.02730612  0.00000000       0.002
   0.06942544  0.02730612  0.00000000       0.002
   0.08331053  0.02730612  0.00000000       0.002
   0.09719562  0.02730612  0.00000000       0.002
   0.11108071  0.02730612  0.00000000       0.002
   0.12496580  0.02730612  0.00000000       0.002
  -0.11108071  0.02730612  0.00000000       0.002
  -0.09719562  0.02730612  0.00000000       0.002
  -0.08331053  0.02730612  0.00000000       0.002
  -0.06942544  0.02730612  0.00000000       0.002
  -0.05554035  0.02730612  0.00000000       0.002
  -0.04165527  0.02730612  0.00000000       0.002
  -0.02777018  0.02730612  0.00000000       0.002
  -0.01388509  0.02730612  0.00000000       0.002
   0.00000000  0.04095918  0.00000000       0.002
   0.01388509  0.04095918  0.00000000       0.002
   0.02777018  0.04095918  0.00000000       0.002
   0.04165527  0.04095918  0.00000000       0.002
   0.05554035  0.04095918  0.00000000       0.002
   0.06942544  0.04095918  0.00000000       0.002
   0.08331053  0.04095918  0.00000000       0.002
   0.09719562  0.04095918  0.00000000       0.002
   0.11108071  0.04095918  0.00000000       0.002
   0.12496580  0.04095918  0.00000000       0.002
  -0.11108071  0.04095918  0.00000000       0.002
  -0.09719562  0.04095918  0.00000000       0.002
  -0.08331053  0.04095918  0.00000000       0.002
  -0.06942544  0.04095918  0.00000000       0.002
  -0.05554035  0.04095918  0.00000000       0.002
  -0.04165527  0.04095918  0.00000000       0.002
  -0.02777018  0.04095918  0.00000000       0.002
  -0.01388509  0.04095918  0.00000000       0.002
   0.00000000  0.05461223  0.00000000       0.002
   0.01388509  0.05461223  0.00000000       0.002
   0.02777018  0.05461223  0.00000000       0.002
   0.04165527  0.05461223  0.00000000       0.002
   0.05554035  0.05461223  0.00000000       0.002
   0.06942544  0.05461223  0.00000000       0.002
   0.08331053  0.05461223  0.00000000       0.002
   0.09719562  0.05461223  0.00000000       0.002
   0.11108071  0.05461223  0.00000000       0.002
   0.12496580  0.05461223  0.00000000       0.002
  -0.11108071  0.05461223  0.00000000       0.002
  -0.09719562  0.05461223  0.00000000       0.002
  -0.08331053  0.05461223  0.00000000       0.002
  -0.06942544  0.05461223  0.00000000       0.002
  -0.05554035  0.05461223  0.00000000       0.002
  -0.04165527  0.05461223  0.00000000       0.002
  -0.02777018  0.05461223  0.00000000       0.002
  -0.01388509  0.05461223  0.00000000       0.002
   0.00000000  0.06826529  0.00000000       0.002
   0.01388509  0.06826529  0.00000000       0.002
   0.02777018  0.06826529  0.00000000       0.002
   0.04165527  0.06826529  0.00000000       0.002
   0.05554035  0.06826529  0.00000000       0.002
   0.06942544  0.06826529  0.00000000       0.002
   0.08331053  0.06826529  0.00000000       0.002
   0.09719562  0.06826529  0.00000000       0.002
   0.11108071  0.06826529  0.00000000       0.002
   0.12496580  0.06826529  0.00000000       0.002
  -0.11108071  0.06826529  0.00000000       0.002
  -0.09719562  0.06826529  0.00000000       0.002
  -0.08331053  0.06826529  0.00000000       0.002
  -0.06942544  0.06826529  0.00000000       0.002
  -0.05554035  0.06826529  0.00000000       0.002
  -0.04165527  0.06826529  0.00000000       0.002
  -0.02777018  0.06826529  0.00000000       0.002
  -0.01388509  0.06826529  0.00000000       0.002
   0.00000000  0.08191835  0.00000000       0.002
   0.01388509  0.08191835  0.00000000       0.002
   0.02777018  0.08191835  0.00000000       0.002
   0.04165527  0.08191835  0.00000000       0.002
   0.05554035  0.08191835  0.00000000       0.002
   0.06942544  0.08191835  0.00000000       0.002
   0.08331053  0.08191835  0.00000000       0.002
   0.09719562  0.08191835  0.00000000       0.002
   0.11108071  0.08191835  0.00000000       0.002
   0.12496580  0.08191835  0.00000000       0.002
  -0.11108071  0.08191835  0.00000000       0.002
  -0.09719562  0.08191835  0.00000000       0.002
  -0.08331053  0.08191835  0.00000000       0.002
  -0.06942544  0.08191835  0.00000000       0.002
  -0.05554035  0.08191835  0.00000000       0.002
  -0.04165527  0.08191835  0.00000000       0.002
  -0.02777018  0.08191835  0.00000000       0.002
  -0.01388509  0.08191835  0.00000000       0.002
   0.00000000  0.09557141  0.00000000       0.002
   0.01388509  0.09557141  0.00000000       0.002
   0.02777018  0.09557141  0.00000000       0.002
   0.04165527  0.09557141  0.00000000       0.002
   0.05554035  0.09557141  0.00000000       0.002
   0.06942544  0.09557141  0.00000000       0.002
   0.08331053  0.09557141  0.00000000       0.002
   0.09719562  0.09557141  0.00000000       0.002
   0.11108071  0.09557141  0.00000000       0.002
   0.12496580  0.09557141  0.00000000       0.002
  -0.11108071  0.09557141  0.00000000       0.002
  -0.09719562  0.09557141  0.00000000       0.002
  -0.08331053  0.09557141  0.00000000       0.002
  -0.06942544  0.09557141  0.00000000       0.002
  -0.05554035  0.09557141  0.00000000       0.002
  -0.04165527  0.09557141  0.00000000       0.002
  -0.02777018  0.09557141  0.00000000       0.002
  -0.01388509  0.09557141  0.00000000       0.002
   0.00000000  0.10922447  0.00000000       0.002
   0.01388509  0.10922447  0.00000000       0.002
   0.02777018  0.10922447  0.00000000       0.002
   0.04165527  0.10922447  0.00000000       0.002
   0.05554035  0.10922447  0.00000000       0.002
   0.06942544  0.10922447  0.00000000       0.002
   0.08331053  0.10922447  0.00000000       0.002
   0.09719562  0.10922447  0.00000000       0.002
   0.11108071  0.10922447  0.00000000       0.002
   0.12496580  0.10922447  0.00000000       0.002
  -0.11108071  0.10922447  0.00000000       0.002
  -0.09719562  0.10922447  0.00000000       0.002
  -0.08331053  0.10922447  0.00000000       0.002
  -0.06942544  0.10922447  0.00000000       0.002
  -0.05554035  0.10922447  0.00000000       0.002
  -0.04165527  0.10922447  0.00000000       0.002
  -0.02777018  0.10922447  0.00000000       0.002
  -0.01388509  0.10922447  0.00000000       0.002
   0.00000000  0.00000000  0.01111111       0.002
   0.01388509  0.00000000  0.01111111       0.002
   0.02777018  0.00000000  0.01111111       0.002
   0.04165527  0.00000000  0.01111111       0.002
   0.05554035  0.00000000  0.01111111       0.002
   0.06942544  0.00000000  0.01111111       0.002
   0.08331053  0.00000000  0.01111111       0.002
   0.09719562  0.00000000  0.01111111       0.002
   0.11108071  0.00000000  0.01111111       0.002
   0.12496580  0.00000000  0.01111111       0.002
  -0.11108071  0.00000000  0.01111111       0.002
  -0.09719562  0.00000000  0.01111111       0.002
  -0.08331053  0.00000000  0.01111111       0.002
  -0.06942544  0.00000000  0.01111111       0.002
  -0.05554035  0.00000000  0.01111111       0.002
  -0.04165527  0.00000000  0.01111111       0.002
  -0.02777018  0.00000000  0.01111111       0.002
  -0.01388509  0.00000000  0.01111111       0.002
   0.00000000  0.01365306  0.01111111       0.002
   0.01388509  0.01365306  0.01111111       0.002
   0.02777018  0.01365306  0.01111111       0.002
   0.04165527  0.01365306  0.01111111       0.002
   0.05554035  0.01365306  0.01111111       0.002
   0.06942544  0.01365306  0.01111111       0.002
   0.08331053  0.01365306  0.01111111       0.002
   0.09719562  0.01365306  0.01111111       0.002
   0.11108071  0.01365306  0.01111111       0.002
   0.12496580  0.01365306  0.01111111       0.002
  -0.11108071  0.01365306  0.01111111       0.002
  -0.09719562  0.01365306  0.01111111       0.002
  -0.08331053  0.01365306  0.01111111       0.002
  -0.06942544  0.01365306  0.01111111       0.002
  -0.05554035  0.01365306  0.01111111       0.002
  -0.04165527  0.01365306  0.01111111       0.002
  -0.02777018  0.01365306  0.01111111       0.002
  -0.01388509  0.01365306  0.01111111       0.002
   0.00000000  0.02730612  0.01111111       0.002
   0.01388509  0.02730612  0.01111111       0.002
   0.02777018  0.02730612  0.01111111       0.002
   0.04165527  0.02730612  0.01111111       0.002
   0.05554035  0.02730612  0.01111111       0.002
   0.06942544  0.02730612  0.01111111       0.002
   0.08331053  0.02730612  0.01111111       0.002
   0.09719562  0.02730612  0.01111111       0.002
   0.11108071  0.02730612  0.01111111       0.002
   0.12496580  0.02730612  0.01111111       0.002
  -0.11108071  0.02730612  0.01111111       0.002
  -0.09719562  0.02730612  0.01111111       0.002
  -0.08331053  0.02730612  0.01111111       0.002
  -0.06942544  0.02730612  0.01111111       0.002
  -0.05554035  0.02730612  0.01111111       0.002
  -0.04165527  0.02730612  0.01111111       0.002
  -0.02777018  0.02730612  0.01111111       0.002
  -0.01388509  0.02730612  0.01111111       0.002
   0.00000000  0.04095918  0.01111111       0.002
   0.01388509  0.04095918  0.01111111       0.002
   0.02777018  0.04095918  0.01111111       0.002
   0.04165527  0.04095918  0.01111111       0.002
   0.05554035  0.04095918  0.01111111       0.002
   0.06942544  0.04095918  0.01111111       0.002
   0.08331053  0.04095918  0.01111111       0.002
   0.09719562  0.04095918  0.01111111       0.002
   0.11108071  0.04095918  0.01111111       0.002
   0.12496580  0.04095918  0.01111111       0.002
  -0.11108071  0.04095918  0.01111111       0.002
  -0.09719562  0.04095918  0.01111111       0.002
  -0.08331053  0.04095918  0.01111111       0.002
  -0.06942544  0.04095918  0.01111111       0.002
  -0.05554035  0.04095918  0.01111111       0.002
  -0.04165527  0.04095918  0.01111111       0.002
  -0.02777018  0.04095918  0.01111111       0.002
  -0.01388509  0.04095918  0.01111111       0.002
   0.00000000  0.05461223  0.01111111       0.002
   0.01388509  0.05461223  0.01111111       0.002
   0.02777018  0.05461223  0.01111111       0.002
   0.04165527  0.05461223  0.01111111       0.002
   0.05554035  0.05461223  0.01111111       0.002
   0.06942544  0.05461223  0.01111111       0.002
   0.08331053  0.05461223  0.01111111       0.002
   0.09719562  0.05461223  0.01111111       0.002
   0.11108071  0.05461223  0.01111111       0.002
   0.12496580  0.05461223  0.01111111       0.002
  -0.11108071  0.05461223  0.01111111       0.002
  -0.09719562  0.05461223  0.01111111       0.002
  -0.08331053  0.05461223  0.01111111       0.002
  -0.06942544  0.05461223  0.01111111       0.002
  -0.05554035  0.05461223  0.01111111       0.002
  -0.04165527  0.05461223  0.01111111       0.002
  -0.02777018  0.05461223  0.01111111       0.002
  -0.01388509  0.05461223  0.01111111       0.002
   0.00000000  0.06826529  0.01111111       0.002
   0.01388509  0.06826529  0.01111111       0.002
   0.02777018  0.06826529  0.01111111       0.002
   0.04165527  0.06826529  0.01111111       0.002
   0.05554035  0.06826529  0.01111111       0.002
   0.06942544  0.06826529  0.01111111       0.002
   0.08331053  0.06826529  0.01111111       0.002
   0.09719562  0.06826529  0.01111111       0.002
   0.11108071  0.06826529  0.01111111       0.002
   0.12496580  0.06826529  0.01111111       0.002
  -0.11108071  0.06826529  0.01111111       0.002
  -0.09719562  0.06826529  0.01111111       0.002
  -0.08331053  0.06826529  0.01111111       0.002
  -0.06942544  0.06826529  0.01111111       0.002
  -0.05554035  0.06826529  0.01111111       0.002
  -0.04165527  0.06826529  0.01111111       0.002
  -0.02777018  0.06826529  0.01111111       0.002
  -0.01388509  0.06826529  0.01111111       0.002
   0.00000000  0.08191835  0.01111111       0.002
   0.01388509  0.08191835  0.01111111       0.002
   0.02777018  0.08191835  0.01111111       0.002
   0.04165527  0.08191835  0.01111111       0.002
   0.05554035  0.08191835  0.01111111       0.002
   0.06942544  0.08191835  0.01111111       0.002
   0.08331053  0.08191835  0.01111111       0.002
   0.09719562  0.08191835  0.01111111       0.002
   0.11108071  0.08191835  0.01111111       0.002
   0.12496580  0.08191835  0.01111111       0.002
  -0.11108071  0.08191835  0.01111111       0.002
  -0.09719562  0.08191835  0.01111111       0.002
  -0.08331053  0.08191835  0.01111111       0.002
  -0.06942544  0.08191835  0.01111111       0.002
  -0.05554035  0.08191835  0.01111111       0.002
  -0.04165527  0.08191835  0.01111111       0.002
  -0.02777018  0.08191835  0.01111111       0.002
  -0.01388509  0.08191835  0.01111111       0.002
   0.00000000  0.09557141  0.01111111       0.002
   0.01388509  0.09557141  0.01111111       0.002
   0.02777018  0.09557141  0.01111111       0.002
   0.04165527  0.09557141  0.01111111       0.002
   0.05554035  0.09557141  0.01111111       0.002
   0.06942544  0.09557141  0.01111111       0.002
   0.08331053  0.09557141  0.01111111       0.002
   0.09719562  0.09557141  0.01111111       0.002
   0.11108071  0.09557141  0.01111111       0.002
   0.12496580  0.09557141  0.01111111       0.002
  -0.11108071  0.09557141  0.01111111       0.002
  -0.09719562  0.09557141  0.01111111       0.002
  -0.08331053  0.09557141  0.01111111       0.002
  -0.06942544  0.09557141  0.01111111       0.002
  -0.05554035  0.09557141  0.01111111       0.002
  -0.04165527  0.09557141  0.01111111       0.002
  -0.02777018  0.09557141  0.01111111       0.002
  -0.01388509  0.09557141  0.01111111       0.002
   0.00000000  0.10922447  0.01111111       0.002
   0.01388509  0.10922447  0.01111111       0.002
   0.02777018  0.10922447  0.01111111       0.002
   0.04165527  0.10922447  0.01111111       0.002
   0.05554035  0.10922447  0.01111111       0.002
   0.06942544  0.10922447  0.01111111       0.002
   0.08331053  0.10922447  0.01111111       0.002
   0.09719562  0.10922447  0.01111111       0.002
   0.11108071  0.10922447  0.01111111       0.002
   0.12496580  0.10922447  0.01111111       0.002
  -0.11108071  0.10922447  0.01111111       0.002
  -0.09719562  0.10922447  0.01111111       0.002
  -0.08331053  0.10922447  0.01111111       0.002
  -0.06942544  0.10922447  0.01111111       0.002
  -0.05554035  0.10922447  0.01111111       0.002
  -0.04165527  0.10922447  0.01111111       0.002
  -0.02777018  0.10922447  0.01111111       0.002
  -0.01388509  0.10922447  0.01111111       0.002
   0.00000000 -0.10922447  0.01111111       0.002
   0.01388509 -0.10922447  0.01111111       0.002
   0.02777018 -0.10922447  0.01111111       0.002
   0.04165527 -0.10922447  0.01111111       0.002
   0.05554035 -0.10922447  0.01111111       0.002
   0.06942544 -0.10922447  0.01111111       0.002
   0.08331053 -0.10922447  0.01111111       0.002
   0.09719562 -0.10922447  0.01111111       0.002
   0.11108071 -0.10922447  0.01111111       0.002
   0.12496580 -0.10922447  0.01111111       0.002
  -0.11108071 -0.10922447  0.01111111       0.002
  -0.09719562 -0.10922447  0.01111111       0.002
  -0.08331053 -0.10922447  0.01111111       0.002
  -0.06942544 -0.10922447  0.01111111       0.002
  -0.05554035 -0.10922447  0.01111111       0.002
  -0.04165527 -0.10922447  0.01111111       0.002
  -0.02777018 -0.10922447  0.01111111       0.002
  -0.01388509 -0.10922447  0.01111111       0.002
   0.00000000 -0.09557141  0.01111111       0.002
   0.01388509 -0.09557141  0.01111111       0.002
   0.02777018 -0.09557141  0.01111111       0.002
   0.04165527 -0.09557141  0.01111111       0.002
   0.05554035 -0.09557141  0.01111111       0.002
   0.06942544 -0.09557141  0.01111111       0.002
   0.08331053 -0.09557141  0.01111111       0.002
   0.09719562 -0.09557141  0.01111111       0.002
   0.11108071 -0.09557141  0.01111111       0.002
   0.12496580 -0.09557141  0.01111111       0.002
  -0.11108071 -0.09557141  0.01111111       0.002
  -0.09719562 -0.09557141  0.01111111       0.002
  -0.08331053 -0.09557141  0.01111111       0.002
  -0.06942544 -0.09557141  0.01111111       0.002
  -0.05554035 -0.09557141  0.01111111       0.002
  -0.04165527 -0.09557141  0.01111111       0.002
  -0.02777018 -0.09557141  0.01111111       0.002
  -0.01388509 -0.09557141  0.01111111       0.002
   0.00000000 -0.08191835  0.01111111       0.002
   0.01388509 -0.08191835  0.01111111       0.002
   0.02777018 -0.08191835  0.01111111       0.002
   0.04165527 -0.08191835  0.01111111       0.002
   0.05554035 -0.08191835  0.01111111       0.002
   0.06942544 -0.08191835  0.01111111       0.002
   0.08331053 -0.08191835  0.01111111       0.002
   0.09719562 -0.08191835  0.01111111       0.002
   0.11108071 -0.08191835  0.01111111       0.002
   0.12496580 -0.08191835  0.01111111       0.002
  -0.11108071 -0.08191835  0.01111111       0.002
  -0.09719562 -0.08191835  0.01111111       0.002
  -0.08331053 -0.08191835  0.01111111       0.002
  -0.06942544 -0.08191835  0.01111111       0.002
  -0.05554035 -0.08191835  0.01111111       0.002
  -0.04165527 -0.08191835  0.01111111       0.002
  -0.02777018 -0.08191835  0.01111111       0.002
  -0.01388509 -0.08191835  0.01111111       0.002
   0.00000000 -0.06826529  0.01111111       0.002
   0.01388509 -0.06826529  0.01111111       0.002
   0.02777018 -0.06826529  0.01111111       0.002
   0.04165527 -0.06826529  0.01111111       0.002
   0.05554035 -0.06826529  0.01111111       0.002
   0.06942544 -0.06826529  0.01111111       0.002
   0.08331053 -0.06826529  0.01111111       0.002
   0.09719562 -0.06826529  0.01111111       0.002
   0.11108071 -0.06826529  0.01111111       0.002
   0.12496580 -0.06826529  0.01111111       0.002
  -0.11108071 -0.06826529  0.01111111       0.002
  -0.09719562 -0.06826529  0.01111111       0.002
  -0.08331053 -0.06826529  0.01111111       0.002
  -0.06942544 -0.06826529  0.01111111       0.002
  -0.05554035 -0.06826529  0.01111111       0.002
  -0.04165527 -0.06826529  0.01111111       0.002
  -0.02777018 -0.06826529  0.01111111       0.002
  -0.01388509 -0.06826529  0.01111111       0.002
   0.00000000 -0.05461223  0.01111111       0.002
   0.01388509 -0.05461223  0.01111111       0.002
   0.02777018 -0.05461223  0.01111111       0.002
   0.04165527 -0.05461223  0.01111111       0.002
   0.05554035 -0.05461223  0.01111111       0.002
   0.06942544 -0.05461223  0.01111111       0.002
   0.08331053 -0.05461223  0.01111111       0.002
   0.09719562 -0.05461223  0.01111111       0.002
   0.11108071 -0.05461223  0.01111111       0.002
   0.12496580 -0.05461223  0.01111111       0.002
  -0.11108071 -0.05461223  0.01111111       0.002
  -0.09719562 -0.05461223  0.01111111       0.002
  -0.08331053 -0.05461223  0.01111111       0.002
  -0.06942544 -0.05461223  0.01111111       0.002
  -0.05554035 -0.05461223  0.01111111       0.002
  -0.04165527 -0.05461223  0.01111111       0.002
  -0.02777018 -0.05461223  0.01111111       0.002
  -0.01388509 -0.05461223  0.01111111       0.002
   0.00000000 -0.04095918  0.01111111       0.002
   0.01388509 -0.04095918  0.01111111       0.002
   0.02777018 -0.04095918  0.01111111       0.002
   0.04165527 -0.04095918  0.01111111       0.002
   0.05554035 -0.04095918  0.01111111       0.002
   0.06942544 -0.04095918  0.01111111       0.002
   0.08331053 -0.04095918  0.01111111       0.002
   0.09719562 -0.04095918  0.01111111       0.002
   0.11108071 -0.04095918  0.01111111       0.002
   0.12496580 -0.04095918  0.01111111       0.002
  -0.11108071 -0.04095918  0.01111111       0.002
  -0.09719562 -0.04095918  0.01111111       0.002
  -0.08331053 -0.04095918  0.01111111       0.002
  -0.06942544 -0.04095918  0.01111111       0.002
  -0.05554035 -0.04095918  0.01111111       0.002
  -0.04165527 -0.04095918  0.01111111       0.002
  -0.02777018 -0.04095918  0.01111111       0.002
  -0.01388509 -0.04095918  0.01111111       0.002
   0.00000000 -0.02730612  0.01111111       0.002
   0.01388509 -0.02730612  0.01111111       0.002
   0.02777018 -0.02730612  0.01111111       0.002
   0.04165527 -0.02730612  0.01111111       0.002
   0.05554035 -0.02730612  0.01111111       0.002
   0.06942544 -0.02730612  0.01111111       0.002
   0.08331053 -0.02730612  0.01111111       0.002
   0.09719562 -0.02730612  0.01111111       0.002
   0.11108071 -0.02730612  0.01111111       0.002
   0.12496580 -0.02730612  0.01111111       0.002
  -0.11108071 -0.02730612  0.01111111       0.002
  -0.09719562 -0.02730612  0.01111111       0.002
  -0.08331053 -0.02730612  0.01111111       0.002
  -0.06942544 -0.02730612  0.01111111       0.002
  -0.05554035 -0.02730612  0.01111111       0.002
  -0.04165527 -0.02730612  0.01111111       0.002
  -0.02777018 -0.02730612  0.01111111       0.002
  -0.01388509 -0.02730612  0.01111111       0.002
   0.00000000 -0.01365306  0.01111111       0.002
   0.01388509 -0.01365306  0.01111111       0.002
   0.02777018 -0.01365306  0.01111111       0.002
   0.04165527 -0.01365306  0.01111111       0.002
   0.05554035 -0.01365306  0.01111111       0.002
   0.06942544 -0.01365306  0.01111111       0.002
   0.08331053 -0.01365306  0.01111111       0.002
   0.09719562 -0.01365306  0.01111111       0.002
   0.11108071 -0.01365306  0.01111111       0.002
   0.12496580 -0.01365306  0.01111111       0.002
  -0.11108071 -0.01365306  0.01111111       0.002
  -0.09719562 -0.01365306  0.01111111       0.002
  -0.08331053 -0.01365306  0.01111111       0.002
  -0.06942544 -0.01365306  0.01111111       0.002
  -0.05554035 -0.01365306  0.01111111       0.002
  -0.04165527 -0.01365306  0.01111111       0.002
  -0.02777018 -0.01365306  0.01111111       0.002
  -0.01388509 -0.01365306  0.01111111       0.002
 
 k-points in reciprocal lattice and weights: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.001
   0.05555556  0.00000000  0.00000000       0.002
   0.11111111  0.00000000  0.00000000       0.002
   0.16666667  0.00000000  0.00000000       0.002
   0.22222222  0.00000000  0.00000000       0.002
   0.27777778  0.00000000  0.00000000       0.002
   0.33333333  0.00000000  0.00000000       0.002
   0.38888889  0.00000000  0.00000000       0.002
   0.44444444  0.00000000  0.00000000       0.002
   0.50000000  0.00000000  0.00000000       0.001
   0.00000000  0.05882353  0.00000000       0.002
   0.05555556  0.05882353  0.00000000       0.002
   0.11111111  0.05882353  0.00000000       0.002
   0.16666667  0.05882353  0.00000000       0.002
   0.22222222  0.05882353  0.00000000       0.002
   0.27777778  0.05882353  0.00000000       0.002
   0.33333333  0.05882353  0.00000000       0.002
   0.38888889  0.05882353  0.00000000       0.002
   0.44444444  0.05882353  0.00000000       0.002
   0.50000000  0.05882353  0.00000000       0.002
  -0.44444444  0.05882353  0.00000000       0.002
  -0.38888889  0.05882353  0.00000000       0.002
  -0.33333333  0.05882353  0.00000000       0.002
  -0.27777778  0.05882353  0.00000000       0.002
  -0.22222222  0.05882353  0.00000000       0.002
  -0.16666667  0.05882353  0.00000000       0.002
  -0.11111111  0.05882353  0.00000000       0.002
  -0.05555556  0.05882353  0.00000000       0.002
   0.00000000  0.11764706  0.00000000       0.002
   0.05555556  0.11764706  0.00000000       0.002
   0.11111111  0.11764706  0.00000000       0.002
   0.16666667  0.11764706  0.00000000       0.002
   0.22222222  0.11764706  0.00000000       0.002
   0.27777778  0.11764706  0.00000000       0.002
   0.33333333  0.11764706  0.00000000       0.002
   0.38888889  0.11764706  0.00000000       0.002
   0.44444444  0.11764706  0.00000000       0.002
   0.50000000  0.11764706  0.00000000       0.002
  -0.44444444  0.11764706  0.00000000       0.002
  -0.38888889  0.11764706  0.00000000       0.002
  -0.33333333  0.11764706  0.00000000       0.002
  -0.27777778  0.11764706  0.00000000       0.002
  -0.22222222  0.11764706  0.00000000       0.002
  -0.16666667  0.11764706  0.00000000       0.002
  -0.11111111  0.11764706  0.00000000       0.002
  -0.05555556  0.11764706  0.00000000       0.002
   0.00000000  0.17647059  0.00000000       0.002
   0.05555556  0.17647059  0.00000000       0.002
   0.11111111  0.17647059  0.00000000       0.002
   0.16666667  0.17647059  0.00000000       0.002
   0.22222222  0.17647059  0.00000000       0.002
   0.27777778  0.17647059  0.00000000       0.002
   0.33333333  0.17647059  0.00000000       0.002
   0.38888889  0.17647059  0.00000000       0.002
   0.44444444  0.17647059  0.00000000       0.002
   0.50000000  0.17647059  0.00000000       0.002
  -0.44444444  0.17647059  0.00000000       0.002
  -0.38888889  0.17647059  0.00000000       0.002
  -0.33333333  0.17647059  0.00000000       0.002
  -0.27777778  0.17647059  0.00000000       0.002
  -0.22222222  0.17647059  0.00000000       0.002
  -0.16666667  0.17647059  0.00000000       0.002
  -0.11111111  0.17647059  0.00000000       0.002
  -0.05555556  0.17647059  0.00000000       0.002
   0.00000000  0.23529412  0.00000000       0.002
   0.05555556  0.23529412  0.00000000       0.002
   0.11111111  0.23529412  0.00000000       0.002
   0.16666667  0.23529412  0.00000000       0.002
   0.22222222  0.23529412  0.00000000       0.002
   0.27777778  0.23529412  0.00000000       0.002
   0.33333333  0.23529412  0.00000000       0.002
   0.38888889  0.23529412  0.00000000       0.002
   0.44444444  0.23529412  0.00000000       0.002
   0.50000000  0.23529412  0.00000000       0.002
  -0.44444444  0.23529412  0.00000000       0.002
  -0.38888889  0.23529412  0.00000000       0.002
  -0.33333333  0.23529412  0.00000000       0.002
  -0.27777778  0.23529412  0.00000000       0.002
  -0.22222222  0.23529412  0.00000000       0.002
  -0.16666667  0.23529412  0.00000000       0.002
  -0.11111111  0.23529412  0.00000000       0.002
  -0.05555556  0.23529412  0.00000000       0.002
   0.00000000  0.29411765  0.00000000       0.002
   0.05555556  0.29411765  0.00000000       0.002
   0.11111111  0.29411765  0.00000000       0.002
   0.16666667  0.29411765  0.00000000       0.002
   0.22222222  0.29411765  0.00000000       0.002
   0.27777778  0.29411765  0.00000000       0.002
   0.33333333  0.29411765  0.00000000       0.002
   0.38888889  0.29411765  0.00000000       0.002
   0.44444444  0.29411765  0.00000000       0.002
   0.50000000  0.29411765  0.00000000       0.002
  -0.44444444  0.29411765  0.00000000       0.002
  -0.38888889  0.29411765  0.00000000       0.002
  -0.33333333  0.29411765  0.00000000       0.002
  -0.27777778  0.29411765  0.00000000       0.002
  -0.22222222  0.29411765  0.00000000       0.002
  -0.16666667  0.29411765  0.00000000       0.002
  -0.11111111  0.29411765  0.00000000       0.002
  -0.05555556  0.29411765  0.00000000       0.002
   0.00000000  0.35294118  0.00000000       0.002
   0.05555556  0.35294118  0.00000000       0.002
   0.11111111  0.35294118  0.00000000       0.002
   0.16666667  0.35294118  0.00000000       0.002
   0.22222222  0.35294118  0.00000000       0.002
   0.27777778  0.35294118  0.00000000       0.002
   0.33333333  0.35294118  0.00000000       0.002
   0.38888889  0.35294118  0.00000000       0.002
   0.44444444  0.35294118  0.00000000       0.002
   0.50000000  0.35294118  0.00000000       0.002
  -0.44444444  0.35294118  0.00000000       0.002
  -0.38888889  0.35294118  0.00000000       0.002
  -0.33333333  0.35294118  0.00000000       0.002
  -0.27777778  0.35294118  0.00000000       0.002
  -0.22222222  0.35294118  0.00000000       0.002
  -0.16666667  0.35294118  0.00000000       0.002
  -0.11111111  0.35294118  0.00000000       0.002
  -0.05555556  0.35294118  0.00000000       0.002
   0.00000000  0.41176471  0.00000000       0.002
   0.05555556  0.41176471  0.00000000       0.002
   0.11111111  0.41176471  0.00000000       0.002
   0.16666667  0.41176471  0.00000000       0.002
   0.22222222  0.41176471  0.00000000       0.002
   0.27777778  0.41176471  0.00000000       0.002
   0.33333333  0.41176471  0.00000000       0.002
   0.38888889  0.41176471  0.00000000       0.002
   0.44444444  0.41176471  0.00000000       0.002
   0.50000000  0.41176471  0.00000000       0.002
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  -0.38888889  0.41176471  0.00000000       0.002
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  -0.27777778  0.41176471  0.00000000       0.002
  -0.22222222  0.41176471  0.00000000       0.002
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  -0.05555556  0.41176471  0.00000000       0.002
   0.00000000  0.47058824  0.00000000       0.002
   0.05555556  0.47058824  0.00000000       0.002
   0.11111111  0.47058824  0.00000000       0.002
   0.16666667  0.47058824  0.00000000       0.002
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   0.27777778  0.47058824  0.00000000       0.002
   0.33333333  0.47058824  0.00000000       0.002
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   0.50000000  0.47058824  0.00000000       0.002
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   0.16666667  0.00000000  0.33333333       0.002
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   0.27777778  0.00000000  0.33333333       0.002
   0.33333333  0.00000000  0.33333333       0.002
   0.38888889  0.00000000  0.33333333       0.002
   0.44444444  0.00000000  0.33333333       0.002
   0.50000000  0.00000000  0.33333333       0.002
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  -0.22222222  0.00000000  0.33333333       0.002
  -0.16666667  0.00000000  0.33333333       0.002
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   0.05555556  0.05882353  0.33333333       0.002
   0.11111111  0.05882353  0.33333333       0.002
   0.16666667  0.05882353  0.33333333       0.002
   0.22222222  0.05882353  0.33333333       0.002
   0.27777778  0.05882353  0.33333333       0.002
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   0.38888889  0.05882353  0.33333333       0.002
   0.44444444  0.05882353  0.33333333       0.002
   0.50000000  0.05882353  0.33333333       0.002
  -0.44444444  0.05882353  0.33333333       0.002
  -0.38888889  0.05882353  0.33333333       0.002
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  -0.27777778  0.05882353  0.33333333       0.002
  -0.22222222  0.05882353  0.33333333       0.002
  -0.16666667  0.05882353  0.33333333       0.002
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  -0.05555556  0.05882353  0.33333333       0.002
   0.00000000  0.11764706  0.33333333       0.002
   0.05555556  0.11764706  0.33333333       0.002
   0.11111111  0.11764706  0.33333333       0.002
   0.16666667  0.11764706  0.33333333       0.002
   0.22222222  0.11764706  0.33333333       0.002
   0.27777778  0.11764706  0.33333333       0.002
   0.33333333  0.11764706  0.33333333       0.002
   0.38888889  0.11764706  0.33333333       0.002
   0.44444444  0.11764706  0.33333333       0.002
   0.50000000  0.11764706  0.33333333       0.002
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  -0.38888889  0.11764706  0.33333333       0.002
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  -0.11111111  0.11764706  0.33333333       0.002
  -0.05555556  0.11764706  0.33333333       0.002
   0.00000000  0.17647059  0.33333333       0.002
   0.05555556  0.17647059  0.33333333       0.002
   0.11111111  0.17647059  0.33333333       0.002
   0.16666667  0.17647059  0.33333333       0.002
   0.22222222  0.17647059  0.33333333       0.002
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   0.38888889  0.17647059  0.33333333       0.002
   0.44444444  0.17647059  0.33333333       0.002
   0.50000000  0.17647059  0.33333333       0.002
  -0.44444444  0.17647059  0.33333333       0.002
  -0.38888889  0.17647059  0.33333333       0.002
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  -0.22222222  0.17647059  0.33333333       0.002
  -0.16666667  0.17647059  0.33333333       0.002
  -0.11111111  0.17647059  0.33333333       0.002
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   0.05555556  0.23529412  0.33333333       0.002
   0.11111111  0.23529412  0.33333333       0.002
   0.16666667  0.23529412  0.33333333       0.002
   0.22222222  0.23529412  0.33333333       0.002
   0.27777778  0.23529412  0.33333333       0.002
   0.33333333  0.23529412  0.33333333       0.002
   0.38888889  0.23529412  0.33333333       0.002
   0.44444444  0.23529412  0.33333333       0.002
   0.50000000  0.23529412  0.33333333       0.002
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  -0.38888889  0.23529412  0.33333333       0.002
  -0.33333333  0.23529412  0.33333333       0.002
  -0.27777778  0.23529412  0.33333333       0.002
  -0.22222222  0.23529412  0.33333333       0.002
  -0.16666667  0.23529412  0.33333333       0.002
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   0.11111111  0.29411765  0.33333333       0.002
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   0.50000000  0.29411765  0.33333333       0.002
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   0.05555556  0.35294118  0.33333333       0.002
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   0.38888889  0.35294118  0.33333333       0.002
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   0.50000000  0.35294118  0.33333333       0.002
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   0.05555556  0.41176471  0.33333333       0.002
   0.11111111  0.41176471  0.33333333       0.002
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   0.33333333  0.41176471  0.33333333       0.002
   0.38888889  0.41176471  0.33333333       0.002
   0.44444444  0.41176471  0.33333333       0.002
   0.50000000  0.41176471  0.33333333       0.002
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   0.00000000  0.47058824  0.33333333       0.002
   0.05555556  0.47058824  0.33333333       0.002
   0.11111111  0.47058824  0.33333333       0.002
   0.16666667  0.47058824  0.33333333       0.002
   0.22222222  0.47058824  0.33333333       0.002
   0.27777778  0.47058824  0.33333333       0.002
   0.33333333  0.47058824  0.33333333       0.002
   0.38888889  0.47058824  0.33333333       0.002
   0.44444444  0.47058824  0.33333333       0.002
   0.50000000  0.47058824  0.33333333       0.002
  -0.44444444  0.47058824  0.33333333       0.002
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  -0.33333333  0.47058824  0.33333333       0.002
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   0.05555556 -0.47058824  0.33333333       0.002
   0.11111111 -0.47058824  0.33333333       0.002
   0.16666667 -0.47058824  0.33333333       0.002
   0.22222222 -0.47058824  0.33333333       0.002
   0.27777778 -0.47058824  0.33333333       0.002
   0.33333333 -0.47058824  0.33333333       0.002
   0.38888889 -0.47058824  0.33333333       0.002
   0.44444444 -0.47058824  0.33333333       0.002
   0.50000000 -0.47058824  0.33333333       0.002
  -0.44444444 -0.47058824  0.33333333       0.002
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  -0.33333333 -0.47058824  0.33333333       0.002
  -0.27777778 -0.47058824  0.33333333       0.002
  -0.22222222 -0.47058824  0.33333333       0.002
  -0.16666667 -0.47058824  0.33333333       0.002
  -0.11111111 -0.47058824  0.33333333       0.002
  -0.05555556 -0.47058824  0.33333333       0.002
   0.00000000 -0.41176471  0.33333333       0.002
   0.05555556 -0.41176471  0.33333333       0.002
   0.11111111 -0.41176471  0.33333333       0.002
   0.16666667 -0.41176471  0.33333333       0.002
   0.22222222 -0.41176471  0.33333333       0.002
   0.27777778 -0.41176471  0.33333333       0.002
   0.33333333 -0.41176471  0.33333333       0.002
   0.38888889 -0.41176471  0.33333333       0.002
   0.44444444 -0.41176471  0.33333333       0.002
   0.50000000 -0.41176471  0.33333333       0.002
  -0.44444444 -0.41176471  0.33333333       0.002
  -0.38888889 -0.41176471  0.33333333       0.002
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   0.00000000 -0.35294118  0.33333333       0.002
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   0.11111111 -0.35294118  0.33333333       0.002
   0.16666667 -0.35294118  0.33333333       0.002
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   0.00000000 -0.29411765  0.33333333       0.002
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   0.11111111 -0.29411765  0.33333333       0.002
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   0.38888889 -0.29411765  0.33333333       0.002
   0.44444444 -0.29411765  0.33333333       0.002
   0.50000000 -0.29411765  0.33333333       0.002
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  -0.27777778 -0.29411765  0.33333333       0.002
  -0.22222222 -0.29411765  0.33333333       0.002
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  -0.11111111 -0.29411765  0.33333333       0.002
  -0.05555556 -0.29411765  0.33333333       0.002
   0.00000000 -0.23529412  0.33333333       0.002
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  -0.44444444 -0.23529412  0.33333333       0.002
  -0.38888889 -0.23529412  0.33333333       0.002
  -0.33333333 -0.23529412  0.33333333       0.002
  -0.27777778 -0.23529412  0.33333333       0.002
  -0.22222222 -0.23529412  0.33333333       0.002
  -0.16666667 -0.23529412  0.33333333       0.002
  -0.11111111 -0.23529412  0.33333333       0.002
  -0.05555556 -0.23529412  0.33333333       0.002
   0.00000000 -0.17647059  0.33333333       0.002
   0.05555556 -0.17647059  0.33333333       0.002
   0.11111111 -0.17647059  0.33333333       0.002
   0.16666667 -0.17647059  0.33333333       0.002
   0.22222222 -0.17647059  0.33333333       0.002
   0.27777778 -0.17647059  0.33333333       0.002
   0.33333333 -0.17647059  0.33333333       0.002
   0.38888889 -0.17647059  0.33333333       0.002
   0.44444444 -0.17647059  0.33333333       0.002
   0.50000000 -0.17647059  0.33333333       0.002
  -0.44444444 -0.17647059  0.33333333       0.002
  -0.38888889 -0.17647059  0.33333333       0.002
  -0.33333333 -0.17647059  0.33333333       0.002
  -0.27777778 -0.17647059  0.33333333       0.002
  -0.22222222 -0.17647059  0.33333333       0.002
  -0.16666667 -0.17647059  0.33333333       0.002
  -0.11111111 -0.17647059  0.33333333       0.002
  -0.05555556 -0.17647059  0.33333333       0.002
   0.00000000 -0.11764706  0.33333333       0.002
   0.05555556 -0.11764706  0.33333333       0.002
   0.11111111 -0.11764706  0.33333333       0.002
   0.16666667 -0.11764706  0.33333333       0.002
   0.22222222 -0.11764706  0.33333333       0.002
   0.27777778 -0.11764706  0.33333333       0.002
   0.33333333 -0.11764706  0.33333333       0.002
   0.38888889 -0.11764706  0.33333333       0.002
   0.44444444 -0.11764706  0.33333333       0.002
   0.50000000 -0.11764706  0.33333333       0.002
  -0.44444444 -0.11764706  0.33333333       0.002
  -0.38888889 -0.11764706  0.33333333       0.002
  -0.33333333 -0.11764706  0.33333333       0.002
  -0.27777778 -0.11764706  0.33333333       0.002
  -0.22222222 -0.11764706  0.33333333       0.002
  -0.16666667 -0.11764706  0.33333333       0.002
  -0.11111111 -0.11764706  0.33333333       0.002
  -0.05555556 -0.11764706  0.33333333       0.002
   0.00000000 -0.05882353  0.33333333       0.002
   0.05555556 -0.05882353  0.33333333       0.002
   0.11111111 -0.05882353  0.33333333       0.002
   0.16666667 -0.05882353  0.33333333       0.002
   0.22222222 -0.05882353  0.33333333       0.002
   0.27777778 -0.05882353  0.33333333       0.002
   0.33333333 -0.05882353  0.33333333       0.002
   0.38888889 -0.05882353  0.33333333       0.002
   0.44444444 -0.05882353  0.33333333       0.002
   0.50000000 -0.05882353  0.33333333       0.002
  -0.44444444 -0.05882353  0.33333333       0.002
  -0.38888889 -0.05882353  0.33333333       0.002
  -0.33333333 -0.05882353  0.33333333       0.002
  -0.27777778 -0.05882353  0.33333333       0.002
  -0.22222222 -0.05882353  0.33333333       0.002
  -0.16666667 -0.05882353  0.33333333       0.002
  -0.11111111 -0.05882353  0.33333333       0.002
  -0.05555556 -0.05882353  0.33333333       0.002
 
 position of ions in fractional coordinates (direct lattice) 
   0.57638799  0.89975267  0.98413050
   0.07647857  0.07627614  0.02432077
   0.57643398  0.39973604  0.02431133
   0.07637035  0.57629277  0.98409597
   0.65264712  0.99912273  0.95117790
   0.15310085  0.97729601  0.05730163
   0.65288155  0.49900118  0.05727493
   0.15244607  0.47729268  0.95110257
   0.20865589  0.88985398  0.98681207
   0.70874626  0.08612980  0.02164707
   0.20872537  0.38984478  0.02160153
   0.70864354  0.58614898  0.98679793
 
 position of ions in cartesian coordinates  (Angst):
   2.30618300  3.87654000 29.52391500
   0.30599800  0.32863200  0.72962300
   2.30636700  1.72224300  0.72934000
   0.30556500  2.48292900 29.52287900
   2.61130300  4.30467100 28.53533700
   0.61257100  4.21063170  1.71904900
   2.61224100  2.14992200  1.71824800
   0.60995118  2.05639200 28.53307700
   0.83485200  3.83389200 29.60436200
   2.83576100  0.37108600  0.64941200
   0.83513000  1.67962700  0.64804600
   2.83535000  2.52539400 29.60393800
 


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


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 k-point ** :   0.0556 0.4706 0.3333  plane waves:   26562
 k-point ** :   0.1111 0.4706 0.3333  plane waves:   26575
 k-point ** :   0.1667 0.4706 0.3333  plane waves:   26573
 k-point ** :   0.2222 0.4706 0.3333  plane waves:   26562
 k-point ** :   0.2778 0.4706 0.3333  plane waves:   26580
 k-point ** :   0.3333 0.4706 0.3333  plane waves:   26609
 k-point ** :   0.3889 0.4706 0.3333  plane waves:   26660
 k-point ** :   0.4444 0.4706 0.3333  plane waves:   26685
 k-point ** :   0.5000 0.4706 0.3333  plane waves:   26700
 k-point ** :  -0.4444 0.4706 0.3333  plane waves:   26685
 k-point ** :  -0.3889 0.4706 0.3333  plane waves:   26660
 k-point ** :  -0.3333 0.4706 0.3333  plane waves:   26609
 k-point ** :  -0.2778 0.4706 0.3333  plane waves:   26580
 k-point ** :  -0.2222 0.4706 0.3333  plane waves:   26562
 k-point ** :  -0.1667 0.4706 0.3333  plane waves:   26573
 k-point ** :  -0.1111 0.4706 0.3333  plane waves:   26575
 k-point ** :  -0.0556 0.4706 0.3333  plane waves:   26562
 k-point ** :   0.0000-0.4706 0.3333  plane waves:   26558
 k-point ** :   0.0556-0.4706 0.3333  plane waves:   26562
 k-point ** :   0.1111-0.4706 0.3333  plane waves:   26575
 k-point ** :   0.1667-0.4706 0.3333  plane waves:   26573
 k-point ** :   0.2222-0.4706 0.3333  plane waves:   26562
 k-point ** :   0.2778-0.4706 0.3333  plane waves:   26580
 k-point ** :   0.3333-0.4706 0.3333  plane waves:   26609
 k-point ** :   0.3889-0.4706 0.3333  plane waves:   26660
 k-point ** :   0.4444-0.4706 0.3333  plane waves:   26685
 k-point ** :   0.5000-0.4706 0.3333  plane waves:   26700
 k-point ** :  -0.4444-0.4706 0.3333  plane waves:   26685
 k-point ** :  -0.3889-0.4706 0.3333  plane waves:   26660
 k-point ** :  -0.3333-0.4706 0.3333  plane waves:   26609
 k-point ** :  -0.2778-0.4706 0.3333  plane waves:   26580
 k-point ** :  -0.2222-0.4706 0.3333  plane waves:   26562
 k-point ** :  -0.1667-0.4706 0.3333  plane waves:   26573
 k-point ** :  -0.1111-0.4706 0.3333  plane waves:   26575
 k-point ** :  -0.0556-0.4706 0.3333  plane waves:   26562
 k-point ** :   0.0000-0.4118 0.3333  plane waves:   26560
 k-point ** :   0.0556-0.4118 0.3333  plane waves:   26570
 k-point ** :   0.1111-0.4118 0.3333  plane waves:   26584
 k-point ** :   0.1667-0.4118 0.3333  plane waves:   26592
 k-point ** :   0.2222-0.4118 0.3333  plane waves:   26575
 k-point ** :   0.2778-0.4118 0.3333  plane waves:   26580
 k-point ** :   0.3333-0.4118 0.3333  plane waves:   26604
 k-point ** :   0.3889-0.4118 0.3333  plane waves:   26638
 k-point ** :   0.4444-0.4118 0.3333  plane waves:   26665
 k-point ** :   0.5000-0.4118 0.3333  plane waves:   26660
 k-point ** :  -0.4444-0.4118 0.3333  plane waves:   26665
 k-point ** :  -0.3889-0.4118 0.3333  plane waves:   26638
 k-point ** :  -0.3333-0.4118 0.3333  plane waves:   26604
 k-point ** :  -0.2778-0.4118 0.3333  plane waves:   26580
 k-point ** :  -0.2222-0.4118 0.3333  plane waves:   26575
 k-point ** :  -0.1667-0.4118 0.3333  plane waves:   26592
 k-point ** :  -0.1111-0.4118 0.3333  plane waves:   26584
 k-point ** :  -0.0556-0.4118 0.3333  plane waves:   26570
 k-point ** :   0.0000-0.3529 0.3333  plane waves:   26579
 k-point ** :   0.0556-0.3529 0.3333  plane waves:   26594
 k-point ** :   0.1111-0.3529 0.3333  plane waves:   26577
 k-point ** :   0.1667-0.3529 0.3333  plane waves:   26567
 k-point ** :   0.2222-0.3529 0.3333  plane waves:   26559
 k-point ** :   0.2778-0.3529 0.3333  plane waves:   26574
 k-point ** :   0.3333-0.3529 0.3333  plane waves:   26605
 k-point ** :   0.3889-0.3529 0.3333  plane waves:   26620
 k-point ** :   0.4444-0.3529 0.3333  plane waves:   26629
 k-point ** :   0.5000-0.3529 0.3333  plane waves:   26636
 k-point ** :  -0.4444-0.3529 0.3333  plane waves:   26629
 k-point ** :  -0.3889-0.3529 0.3333  plane waves:   26620
 k-point ** :  -0.3333-0.3529 0.3333  plane waves:   26605
 k-point ** :  -0.2778-0.3529 0.3333  plane waves:   26574
 k-point ** :  -0.2222-0.3529 0.3333  plane waves:   26559
 k-point ** :  -0.1667-0.3529 0.3333  plane waves:   26567
 k-point ** :  -0.1111-0.3529 0.3333  plane waves:   26577
 k-point ** :  -0.0556-0.3529 0.3333  plane waves:   26594
 k-point ** :   0.0000-0.2941 0.3333  plane waves:   26590
 k-point ** :   0.0556-0.2941 0.3333  plane waves:   26606
 k-point ** :   0.1111-0.2941 0.3333  plane waves:   26582
 k-point ** :   0.1667-0.2941 0.3333  plane waves:   26550
 k-point ** :   0.2222-0.2941 0.3333  plane waves:   26568
 k-point ** :   0.2778-0.2941 0.3333  plane waves:   26572
 k-point ** :   0.3333-0.2941 0.3333  plane waves:   26582
 k-point ** :   0.3889-0.2941 0.3333  plane waves:   26604
 k-point ** :   0.4444-0.2941 0.3333  plane waves:   26587
 k-point ** :   0.5000-0.2941 0.3333  plane waves:   26612
 k-point ** :  -0.4444-0.2941 0.3333  plane waves:   26587
 k-point ** :  -0.3889-0.2941 0.3333  plane waves:   26604
 k-point ** :  -0.3333-0.2941 0.3333  plane waves:   26582
 k-point ** :  -0.2778-0.2941 0.3333  plane waves:   26572
 k-point ** :  -0.2222-0.2941 0.3333  plane waves:   26568
 k-point ** :  -0.1667-0.2941 0.3333  plane waves:   26550
 k-point ** :  -0.1111-0.2941 0.3333  plane waves:   26582
 k-point ** :  -0.0556-0.2941 0.3333  plane waves:   26606
 k-point ** :   0.0000-0.2353 0.3333  plane waves:   26615
 k-point ** :   0.0556-0.2353 0.3333  plane waves:   26602
 k-point ** :   0.1111-0.2353 0.3333  plane waves:   26585
 k-point ** :   0.1667-0.2353 0.3333  plane waves:   26576
 k-point ** :   0.2222-0.2353 0.3333  plane waves:   26550
 k-point ** :   0.2778-0.2353 0.3333  plane waves:   26563
 k-point ** :   0.3333-0.2353 0.3333  plane waves:   26563
 k-point ** :   0.3889-0.2353 0.3333  plane waves:   26570
 k-point ** :   0.4444-0.2353 0.3333  plane waves:   26569
 k-point ** :   0.5000-0.2353 0.3333  plane waves:   26580
 k-point ** :  -0.4444-0.2353 0.3333  plane waves:   26569
 k-point ** :  -0.3889-0.2353 0.3333  plane waves:   26570
 k-point ** :  -0.3333-0.2353 0.3333  plane waves:   26563
 k-point ** :  -0.2778-0.2353 0.3333  plane waves:   26563
 k-point ** :  -0.2222-0.2353 0.3333  plane waves:   26550
 k-point ** :  -0.1667-0.2353 0.3333  plane waves:   26576
 k-point ** :  -0.1111-0.2353 0.3333  plane waves:   26585
 k-point ** :  -0.0556-0.2353 0.3333  plane waves:   26602
 k-point ** :   0.0000-0.1765 0.3333  plane waves:   26597
 k-point ** :   0.0556-0.1765 0.3333  plane waves:   26600
 k-point ** :   0.1111-0.1765 0.3333  plane waves:   26586
 k-point ** :   0.1667-0.1765 0.3333  plane waves:   26575
 k-point ** :   0.2222-0.1765 0.3333  plane waves:   26535
 k-point ** :   0.2778-0.1765 0.3333  plane waves:   26538
 k-point ** :   0.3333-0.1765 0.3333  plane waves:   26554
 k-point ** :   0.3889-0.1765 0.3333  plane waves:   26538
 k-point ** :   0.4444-0.1765 0.3333  plane waves:   26546
 k-point ** :   0.5000-0.1765 0.3333  plane waves:   26544
 k-point ** :  -0.4444-0.1765 0.3333  plane waves:   26546
 k-point ** :  -0.3889-0.1765 0.3333  plane waves:   26538
 k-point ** :  -0.3333-0.1765 0.3333  plane waves:   26554
 k-point ** :  -0.2778-0.1765 0.3333  plane waves:   26538
 k-point ** :  -0.2222-0.1765 0.3333  plane waves:   26535
 k-point ** :  -0.1667-0.1765 0.3333  plane waves:   26575
 k-point ** :  -0.1111-0.1765 0.3333  plane waves:   26586
 k-point ** :  -0.0556-0.1765 0.3333  plane waves:   26600
 k-point ** :   0.0000-0.1176 0.3333  plane waves:   26573
 k-point ** :   0.0556-0.1176 0.3333  plane waves:   26556
 k-point ** :   0.1111-0.1176 0.3333  plane waves:   26563
 k-point ** :   0.1667-0.1176 0.3333  plane waves:   26554
 k-point ** :   0.2222-0.1176 0.3333  plane waves:   26536
 k-point ** :   0.2778-0.1176 0.3333  plane waves:   26545
 k-point ** :   0.3333-0.1176 0.3333  plane waves:   26534
 k-point ** :   0.3889-0.1176 0.3333  plane waves:   26548
 k-point ** :   0.4444-0.1176 0.3333  plane waves:   26522
 k-point ** :   0.5000-0.1176 0.3333  plane waves:   26502
 k-point ** :  -0.4444-0.1176 0.3333  plane waves:   26522
 k-point ** :  -0.3889-0.1176 0.3333  plane waves:   26548
 k-point ** :  -0.3333-0.1176 0.3333  plane waves:   26534
 k-point ** :  -0.2778-0.1176 0.3333  plane waves:   26545
 k-point ** :  -0.2222-0.1176 0.3333  plane waves:   26536
 k-point ** :  -0.1667-0.1176 0.3333  plane waves:   26554
 k-point ** :  -0.1111-0.1176 0.3333  plane waves:   26563
 k-point ** :  -0.0556-0.1176 0.3333  plane waves:   26556
 k-point ** :   0.0000-0.0588 0.3333  plane waves:   26547
 k-point ** :   0.0556-0.0588 0.3333  plane waves:   26529
 k-point ** :   0.1111-0.0588 0.3333  plane waves:   26540
 k-point ** :   0.1667-0.0588 0.3333  plane waves:   26535
 k-point ** :   0.2222-0.0588 0.3333  plane waves:   26533
 k-point ** :   0.2778-0.0588 0.3333  plane waves:   26548
 k-point ** :   0.3333-0.0588 0.3333  plane waves:   26533
 k-point ** :   0.3889-0.0588 0.3333  plane waves:   26511
 k-point ** :   0.4444-0.0588 0.3333  plane waves:   26495
 k-point ** :   0.5000-0.0588 0.3333  plane waves:   26484
 k-point ** :  -0.4444-0.0588 0.3333  plane waves:   26495
 k-point ** :  -0.3889-0.0588 0.3333  plane waves:   26511
 k-point ** :  -0.3333-0.0588 0.3333  plane waves:   26533
 k-point ** :  -0.2778-0.0588 0.3333  plane waves:   26548
 k-point ** :  -0.2222-0.0588 0.3333  plane waves:   26533
 k-point ** :  -0.1667-0.0588 0.3333  plane waves:   26535
 k-point ** :  -0.1111-0.0588 0.3333  plane waves:   26540
 k-point ** :  -0.0556-0.0588 0.3333  plane waves:   26529

 maximum and minimum number of plane-waves per node :      3398     3268

 maximum number of plane-waves:     26700
 maximum index in each direction: 
   IXMAX=    9   IYMAX=   10   IZMAX=   69
   IXMIN=   -9   IYMIN=  -10   IZMIN=  -69


 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   702294. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     297931. kBytes
   fftplans  :       9259. kBytes
   grid      :      16617. kBytes
   one-center:          6. kBytes
   wavefun   :     348481. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0002
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 19   NGY = 19   NGZ =139
  (NGX  = 80   NGY  = 80   NGZ  =560)
  gives a total of  50179 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          748 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.221
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x 9

    FEWALD:  cpu time    0.0015: real time    0.0015


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


    POTLOK:  cpu time    0.1302: real time    0.1390
    SETDIJ:  cpu time    0.0009: real time    0.0010
     EDDAV:  cpu time   27.5414: real time   27.6244
       DOS:  cpu time    0.0067: real time    0.0067
    --------------------------------------------
      LOOP:  cpu time   27.6792: real time   27.7711

 eigenvalue-minimisations  : 25968
 total energy-change (2. order) : 0.4485744E+03  (-0.1695661E+04)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00021103
  eigenvalues    EBANDS =      -109.42427146
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       448.57439209 eV

  energy without entropy =      448.57460312  energy(sigma->0) =      448.57449760


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




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


     EDDAV:  cpu time   39.4711: real time   39.5793
       DOS:  cpu time    0.0031: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time   39.4741: real time   39.5824

 eigenvalue-minimisations  : 41884
 total energy-change (2. order) :-0.4453889E+03  (-0.4276647E+03)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -554.81339371
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         3.18548087 eV

  energy without entropy =        3.18548087  energy(sigma->0) =        3.18548087


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




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


     EDDAV:  cpu time   30.3527: real time   30.4368
       DOS:  cpu time    0.0022: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time   30.3550: real time   30.4390

 eigenvalue-minimisations  : 29624
 total energy-change (2. order) :-0.8622552E+02  (-0.8599765E+02)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -641.03891603
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -83.04004145 eV

  energy without entropy =      -83.04004145  energy(sigma->0) =      -83.04004145


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




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


     EDDAV:  cpu time   35.9833: real time   36.0856
       DOS:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time   35.9854: real time   36.0878

 eigenvalue-minimisations  : 37160
 total energy-change (2. order) :-0.3210029E+01  (-0.3199945E+01)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -644.24894538
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -86.25007080 eV

  energy without entropy =      -86.25007080  energy(sigma->0) =      -86.25007080


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




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


     EDDAV:  cpu time   37.3947: real time   37.4995
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4313: real time    1.4351
    MIXING:  cpu time    0.0058: real time    0.0062
    --------------------------------------------
      LOOP:  cpu time   38.8339: real time   38.9429

 eigenvalue-minimisations  : 39156
 total energy-change (2. order) :-0.6528633E-01  (-0.6516989E-01)
 number of electron      40.0000000 magnetization 
 augmentation part        1.5581514 magnetization 

 Broyden mixing:
  rms(total) = 0.14705E+01    rms(broyden)= 0.14704E+01
  rms(prec ) = 0.15080E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -644.31423171
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -86.31535713 eV

  energy without entropy =      -86.31535713  energy(sigma->0) =      -86.31535713


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




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


    POTLOK:  cpu time    0.1105: real time    0.1109
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time   35.0107: real time   35.1060
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4209: real time    1.4248
    MIXING:  cpu time    0.0058: real time    0.0061
    --------------------------------------------
      LOOP:  cpu time   36.5513: real time   36.6511

 eigenvalue-minimisations  : 36016
 total energy-change (2. order) : 0.3371561E+01  (-0.6232023E+00)
 number of electron      40.0000000 magnetization 
 augmentation part        1.4291434 magnetization 

 Broyden mixing:
  rms(total) = 0.77771E+00    rms(broyden)= 0.77771E+00
  rms(prec ) = 0.79337E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6531
  1.6531

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17190.08432425
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       147.21706129
  PAW double counting   =      1984.80080663    -1992.66064747
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -589.40965927
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.94379658 eV

  energy without entropy =      -82.94379658  energy(sigma->0) =      -82.94379658


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




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


    POTLOK:  cpu time    0.1087: real time    0.1093
    SETDIJ:  cpu time    0.0021: real time    0.0021
     EDDAV:  cpu time   33.7437: real time   33.8360
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4385: real time    1.4421
    MIXING:  cpu time    0.0058: real time    0.0058
    --------------------------------------------
      LOOP:  cpu time   35.3009: real time   35.3974

 eigenvalue-minimisations  : 34328
 total energy-change (2. order) : 0.7989341E+00  (-0.1524514E+00)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3943579 magnetization 

 Broyden mixing:
  rms(total) = 0.30446E+00    rms(broyden)= 0.30446E+00
  rms(prec ) = 0.30939E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8104
  1.2228  2.3981

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17232.46059075
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.22143251
  PAW double counting   =      2900.55339733    -2908.96535229
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -547.68671578
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.14486249 eV

  energy without entropy =      -82.14486249  energy(sigma->0) =      -82.14486249


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




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


    POTLOK:  cpu time    0.1099: real time    0.1103
    SETDIJ:  cpu time    0.0010: real time    0.0010
     EDDAV:  cpu time   34.9375: real time   35.0322
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4313: real time    1.4352
    MIXING:  cpu time    0.0056: real time    0.0056
    --------------------------------------------
      LOOP:  cpu time   36.4875: real time   36.5865

 eigenvalue-minimisations  : 35824
 total energy-change (2. order) : 0.7770073E-01  (-0.2356855E-01)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3958878 magnetization 

 Broyden mixing:
  rms(total) = 0.77022E-01    rms(broyden)= 0.77022E-01
  rms(prec ) = 0.80890E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7417
  1.1672  2.3209  1.7370

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17252.86015691
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.96257898
  PAW double counting   =      3466.72143343    -3475.31323595
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -527.77074781
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.06716177 eV

  energy without entropy =      -82.06716177  energy(sigma->0) =      -82.06716177


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




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


    POTLOK:  cpu time    0.1089: real time    0.1095
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   34.4025: real time   34.4973
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4269: real time    1.4307
    MIXING:  cpu time    0.0060: real time    0.0060
    --------------------------------------------
      LOOP:  cpu time   35.9473: real time   36.0465

 eigenvalue-minimisations  : 35168
 total energy-change (2. order) : 0.1069306E-01  (-0.3192798E-02)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3941809 magnetization 

 Broyden mixing:
  rms(total) = 0.20351E-01    rms(broyden)= 0.20351E-01
  rms(prec ) = 0.26305E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6591
  2.4715  1.1094  1.1094  1.9462

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17258.45129815
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.95105762
  PAW double counting   =      3508.56409438    -3517.12455553
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -522.18873351
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05646871 eV

  energy without entropy =      -82.05646871  energy(sigma->0) =      -82.05646871


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




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


    POTLOK:  cpu time    0.1105: real time    0.1109
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   36.2531: real time   36.3572
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4290: real time    1.4358
    MIXING:  cpu time    0.0058: real time    0.0058
    --------------------------------------------
      LOOP:  cpu time   37.8014: real time   37.9128

 eigenvalue-minimisations  : 37212
 total energy-change (2. order) : 0.3861577E-02  (-0.2740478E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3938335 magnetization 

 Broyden mixing:
  rms(total) = 0.11250E-01    rms(broyden)= 0.11250E-01
  rms(prec ) = 0.17263E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6855
  2.3178  2.3178  1.0461  1.3729  1.3729

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17263.46550133
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.99359206
  PAW double counting   =      3533.60461204    -3542.16160866
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -517.21666772
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05260713 eV

  energy without entropy =      -82.05260713  energy(sigma->0) =      -82.05260713


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




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


    POTLOK:  cpu time    0.1096: real time    0.1104
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   33.2671: real time   33.3625
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4397: real time    1.4447
    MIXING:  cpu time    0.0064: real time    0.0065
    --------------------------------------------
      LOOP:  cpu time   34.8258: real time   34.9271

 eigenvalue-minimisations  : 33616
 total energy-change (2. order) : 0.1964603E-02  (-0.3593325E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3942998 magnetization 

 Broyden mixing:
  rms(total) = 0.87330E-02    rms(broyden)= 0.87329E-02
  rms(prec ) = 0.12134E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7582
  3.1316  2.5518  1.7188  1.0451  1.0510  1.0510

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17270.42063181
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.01893813
  PAW double counting   =      3520.07193040    -3528.62312105
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -510.29072470
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05064253 eV

  energy without entropy =      -82.05064253  energy(sigma->0) =      -82.05064253


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




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


    POTLOK:  cpu time    0.1111: real time    0.1116
    SETDIJ:  cpu time    0.0010: real time    0.0010
     EDDAV:  cpu time   33.4559: real time   33.5497
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4437: real time    1.4473
    MIXING:  cpu time    0.0059: real time    0.0059
    --------------------------------------------
      LOOP:  cpu time   35.0197: real time   35.1176

 eigenvalue-minimisations  : 33768
 total energy-change (2. order) : 0.2559058E-03  (-0.1770317E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3928992 magnetization 

 Broyden mixing:
  rms(total) = 0.44381E-02    rms(broyden)= 0.44381E-02
  rms(prec ) = 0.64996E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9448
  3.9173  2.6846  1.9025  1.9025  0.9506  1.1280  1.1280

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17276.32491304
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06080928
  PAW double counting   =      3524.42154867    -3532.97221672
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -504.42858129
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05038662 eV

  energy without entropy =      -82.05038662  energy(sigma->0) =      -82.05038662


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




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


    POTLOK:  cpu time    0.1102: real time    0.1107
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   31.8084: real time   31.8949
       DOS:  cpu time    0.0024: real time    0.0024
    CHARGE:  cpu time    1.4279: real time    1.4317
    MIXING:  cpu time    0.0074: real time    0.0074
    --------------------------------------------
      LOOP:  cpu time   33.3572: real time   33.4481

 eigenvalue-minimisations  : 31316
 total energy-change (2. order) :-0.1453730E-02  (-0.5708673E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926276 magnetization 

 Broyden mixing:
  rms(total) = 0.33332E-02    rms(broyden)= 0.33332E-02
  rms(prec ) = 0.40891E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0413
  5.3881  2.4507  2.4507  1.7124  0.9382  1.1682  1.1110  1.1110

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17280.36563772
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06491045
  PAW double counting   =      3520.25908606    -3528.80666290
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -500.39650273
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05184035 eV

  energy without entropy =      -82.05184035  energy(sigma->0) =      -82.05184035


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




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


    POTLOK:  cpu time    0.1105: real time    0.1110
    SETDIJ:  cpu time    0.0021: real time    0.0021
     EDDAV:  cpu time   32.0898: real time   32.1768
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4312: real time    1.4351
    MIXING:  cpu time    0.0067: real time    0.0067
    --------------------------------------------
      LOOP:  cpu time   33.6425: real time   33.7339

 eigenvalue-minimisations  : 32044
 total energy-change (2. order) :-0.6952388E-03  (-0.1639013E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926901 magnetization 

 Broyden mixing:
  rms(total) = 0.14786E-02    rms(broyden)= 0.14786E-02
  rms(prec ) = 0.19981E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2254
  6.5763  3.0457  2.3567  2.1929  1.4854  1.1603  1.1603  0.9554  1.0959

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17282.26048325
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.07046607
  PAW double counting   =      3520.59354919    -3529.14241564
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -498.50661843
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05253559 eV

  energy without entropy =      -82.05253559  energy(sigma->0) =      -82.05253559


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




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


    POTLOK:  cpu time    0.1105: real time    0.1109
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   30.3114: real time   30.3930
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4291: real time    1.4330
    MIXING:  cpu time    0.0061: real time    0.0062
    --------------------------------------------
      LOOP:  cpu time   31.8601: real time   31.9461

 eigenvalue-minimisations  : 29708
 total energy-change (2. order) :-0.8594746E-03  (-0.1022803E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3927222 magnetization 

 Broyden mixing:
  rms(total) = 0.84412E-03    rms(broyden)= 0.84412E-03
  rms(prec ) = 0.10415E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2314
  7.2157  3.3632  2.5062  2.0416  1.7176  1.1533  1.1533  1.2232  0.9560  0.9836

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.27976037
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06722624
  PAW double counting   =      3520.35933599    -3528.90878987
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.48437354
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05339506 eV

  energy without entropy =      -82.05339506  energy(sigma->0) =      -82.05339506


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




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


    POTLOK:  cpu time    0.1089: real time    0.1095
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   31.1612: real time   31.2462
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4331: real time    1.4367
    MIXING:  cpu time    0.0072: real time    0.0073
    --------------------------------------------
      LOOP:  cpu time   32.7135: real time   32.8027

 eigenvalue-minimisations  : 30792
 total energy-change (2. order) :-0.3586356E-03  (-0.2291534E-05)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926839 magnetization 

 Broyden mixing:
  rms(total) = 0.65076E-03    rms(broyden)= 0.65076E-03
  rms(prec ) = 0.76369E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4009
  7.8343  4.3848  2.6111  2.6111  2.0603  1.5830  1.1519  1.1519  1.0982  1.0023
  0.9209

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.55235138
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06816026
  PAW double counting   =      3520.80192659    -3529.35142115
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.21303451
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05375370 eV

  energy without entropy =      -82.05375370  energy(sigma->0) =      -82.05375370


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




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


    POTLOK:  cpu time    0.1089: real time    0.1093
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   29.2504: real time   29.3296
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4320: real time    1.4360
    MIXING:  cpu time    0.0065: real time    0.0065
    --------------------------------------------
      LOOP:  cpu time   30.8008: real time   30.8843

 eigenvalue-minimisations  : 28248
 total energy-change (2. order) :-0.3477087E-03  (-0.6552697E-05)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926171 magnetization 

 Broyden mixing:
  rms(total) = 0.46831E-03    rms(broyden)= 0.46830E-03
  rms(prec ) = 0.50382E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3995
  7.9214  5.0572  2.7990  2.5710  1.7522  1.6905  1.6905  1.1626  1.1626  0.9401
  1.0237  1.0237

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.69516167
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06785656
  PAW double counting   =      3520.80319799    -3529.35193821
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.07102257
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05410141 eV

  energy without entropy =      -82.05410141  energy(sigma->0) =      -82.05410141


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




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


    POTLOK:  cpu time    0.1080: real time    0.1085
    SETDIJ:  cpu time    0.0010: real time    0.0010
     EDDAV:  cpu time   32.1326: real time   32.2199
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4339: real time    1.4379
    MIXING:  cpu time    0.0081: real time    0.0081
    --------------------------------------------
      LOOP:  cpu time   33.6858: real time   33.7776

 eigenvalue-minimisations  : 32284
 total energy-change (2. order) :-0.5422554E-04  (-0.6652901E-06)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926667 magnetization 

 Broyden mixing:
  rms(total) = 0.16181E-03    rms(broyden)= 0.16181E-03
  rms(prec ) = 0.19862E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3963
  8.1860  5.3268  2.9399  2.5998  2.1174  2.1174  1.4095  1.1878  1.1878  0.9600
  0.9600  1.0796  1.0796

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.75747786
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06759089
  PAW double counting   =      3520.70240133    -3529.25139824
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.00823824
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05415563 eV

  energy without entropy =      -82.05415563  energy(sigma->0) =      -82.05415563


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




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


    POTLOK:  cpu time    0.1096: real time    0.1101
    SETDIJ:  cpu time    0.0016: real time    0.0016
     EDDAV:  cpu time   29.8395: real time   29.9587
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4372: real time    1.4408
    MIXING:  cpu time    0.0078: real time    0.0078
    --------------------------------------------
      LOOP:  cpu time   31.3980: real time   31.5213

 eigenvalue-minimisations  : 29016
 total energy-change (2. order) :-0.4332720E-04  (-0.3834591E-06)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926549 magnetization 

 Broyden mixing:
  rms(total) = 0.70497E-04    rms(broyden)= 0.70497E-04
  rms(prec ) = 0.98057E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3957
  8.0254  5.9752  3.0991  2.7717  2.5781  1.8587  1.6163  1.2020  1.2020  0.9462
  1.1041  1.0122  1.0742  1.0742

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.77225035
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06725721
  PAW double counting   =      3520.68674981    -3529.23575186
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.99317025
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05419896 eV

  energy without entropy =      -82.05419896  energy(sigma->0) =      -82.05419896


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




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


    POTLOK:  cpu time    0.1106: real time    0.1111
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   29.5492: real time   29.6294
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.5704: real time    1.5750
    MIXING:  cpu time    0.0067: real time    0.0068
    --------------------------------------------
      LOOP:  cpu time   31.2401: real time   31.3253

 eigenvalue-minimisations  : 28592
 total energy-change (2. order) :-0.1784112E-04  (-0.9508005E-07)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926538 magnetization 

 Broyden mixing:
  rms(total) = 0.49759E-04    rms(broyden)= 0.49759E-04
  rms(prec ) = 0.65655E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4448
  8.1356  6.4488  3.9102  2.8284  2.3900  2.0339  2.0339  1.4354  1.1922  1.1922
  1.0908  1.0908  0.9469  0.9719  0.9719

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.80169127
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736777
  PAW double counting   =      3520.69302140    -3529.24208400
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.96379719
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05421680 eV

  energy without entropy =      -82.05421680  energy(sigma->0) =      -82.05421680


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




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


    POTLOK:  cpu time    0.1097: real time    0.1102
    SETDIJ:  cpu time    0.0007: real time    0.0007
     EDDAV:  cpu time   27.5814: real time   27.6566
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4351: real time    1.4387
    MIXING:  cpu time    0.0084: real time    0.0084
    --------------------------------------------
      LOOP:  cpu time   29.1375: real time   29.2169

 eigenvalue-minimisations  : 25884
 total energy-change (2. order) :-0.1112191E-04  (-0.4794982E-07)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926510 magnetization 

 Broyden mixing:
  rms(total) = 0.25400E-04    rms(broyden)= 0.25400E-04
  rms(prec ) = 0.32991E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4850
  8.0837  7.1503  4.5203  2.8683  2.5205  2.5205  1.7232  1.7028  1.2042  1.2042
  1.1744  1.1744  1.0408  0.9766  0.9766  0.9185

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.82196750
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06734172
  PAW double counting   =      3520.66737632    -3529.21637694
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.94356802
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05422792 eV

  energy without entropy =      -82.05422792  energy(sigma->0) =      -82.05422792


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




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


    POTLOK:  cpu time    0.1110: real time    0.1116
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   26.1076: real time   26.1781
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4306: real time    1.4343
    MIXING:  cpu time    0.0070: real time    0.0071
    --------------------------------------------
      LOOP:  cpu time   27.6592: real time   27.7341

 eigenvalue-minimisations  : 23812
 total energy-change (2. order) :-0.3955322E-05  (-0.4503528E-08)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926500 magnetization 

 Broyden mixing:
  rms(total) = 0.27235E-04    rms(broyden)= 0.27235E-04
  rms(prec ) = 0.29700E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5953
  8.0372  8.0372  5.1361  3.4667  2.7038  2.5426  2.2802  1.8596  1.5229  1.1918
  1.1918  1.1581  1.1581  0.9800  0.9718  0.9718  0.9112

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83249063
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06734365
  PAW double counting   =      3520.71575216    -3529.26474526
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.93305829
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423188 eV

  energy without entropy =      -82.05423188  energy(sigma->0) =      -82.05423188


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




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


    POTLOK:  cpu time    0.1106: real time    0.1111
    SETDIJ:  cpu time    0.0007: real time    0.0007
     EDDAV:  cpu time   24.9105: real time   24.9790
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4284: real time    1.4323
    MIXING:  cpu time    0.0075: real time    0.0075
    --------------------------------------------
      LOOP:  cpu time   26.4598: real time   26.5327

 eigenvalue-minimisations  : 22184
 total energy-change (2. order) :-0.2277940E-05  (-0.3234703E-08)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926520 magnetization 

 Broyden mixing:
  rms(total) = 0.82476E-05    rms(broyden)= 0.82471E-05
  rms(prec ) = 0.90276E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5444
  8.2388  8.2388  5.4176  3.5563  2.6964  2.5125  2.3213  1.8565  1.5501  1.1989
  1.1989  1.1663  1.1663  1.0249  0.9694  0.9694  0.8584  0.8584

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83971662
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06737473
  PAW double counting   =      3520.69506468    -3529.24407474
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92584869
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423416 eV

  energy without entropy =      -82.05423416  energy(sigma->0) =      -82.05423416


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




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


    POTLOK:  cpu time    0.1104: real time    0.1109
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   27.6757: real time   27.7504
       DOS:  cpu time    0.0022: real time    0.0022
    CHARGE:  cpu time    1.4302: real time    1.4341
    MIXING:  cpu time    0.0092: real time    0.0092
    --------------------------------------------
      LOOP:  cpu time   29.2285: real time   29.3077

 eigenvalue-minimisations  : 25892
 total energy-change (2. order) :-0.2466800E-06  (-0.2611900E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926514 magnetization 

 Broyden mixing:
  rms(total) = 0.79299E-05    rms(broyden)= 0.79298E-05
  rms(prec ) = 0.84328E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5654
  8.9475  8.2318  5.6685  3.8611  2.8147  2.4218  2.3061  1.8864  1.7606  1.3182
  1.3182  1.1800  1.1800  1.1555  0.9447  0.9447  0.9815  0.9452  0.8767

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.84024651
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06737015
  PAW double counting   =      3520.69404581    -3529.24305739
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92531295
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423440 eV

  energy without entropy =      -82.05423440  energy(sigma->0) =      -82.05423440


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




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


    POTLOK:  cpu time    0.1118: real time    0.1122
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   25.0233: real time   25.0918
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4300: real time    1.4336
    MIXING:  cpu time    0.0080: real time    0.0080
    --------------------------------------------
      LOOP:  cpu time   26.5761: real time   26.6486

 eigenvalue-minimisations  : 22316
 total energy-change (2. order) :-0.2269726E-06  (-0.1556307E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926516 magnetization 

 Broyden mixing:
  rms(total) = 0.40551E-05    rms(broyden)= 0.40551E-05
  rms(prec ) = 0.42796E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5696
  9.2377  8.3003  5.7950  4.1272  2.7654  2.7033  2.5281  1.9648  1.9648  1.4612
  1.1858  1.1858  1.2041  1.2041  1.1226  0.9741  0.9741  0.9484  0.8724  0.8724

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.84007468
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736526
  PAW double counting   =      3520.69599840    -3529.24500593
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92548417
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423463 eV

  energy without entropy =      -82.05423463  energy(sigma->0) =      -82.05423463


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




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


    POTLOK:  cpu time    0.1109: real time    0.1117
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   26.1809: real time   26.2526
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4392: real time    1.4429
    MIXING:  cpu time    0.0118: real time    0.0119
    --------------------------------------------
      LOOP:  cpu time   27.7458: real time   27.8221

 eigenvalue-minimisations  : 23840
 total energy-change (2. order) :-0.8323559E-07  (-0.1032082E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926511 magnetization 

 Broyden mixing:
  rms(total) = 0.14810E-05    rms(broyden)= 0.14809E-05
  rms(prec ) = 0.15445E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5527
  9.3191  8.2813  5.8370  4.1384  3.0022  2.5966  2.3263  2.1257  2.1257  1.9627
  1.5375  1.1888  1.1888  1.1617  1.1617  1.0206  1.0206  0.9349  0.9526  0.9526
  0.7723

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83980803
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736249
  PAW double counting   =      3520.69479913    -3529.24380557
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92574922
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423471 eV

  energy without entropy =      -82.05423471  energy(sigma->0) =      -82.05423471


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




--------------------------------------- Iteration      1(  27)  ---------------------------------------


    POTLOK:  cpu time    0.1119: real time    0.1124
    SETDIJ:  cpu time    0.0014: real time    0.0014
     EDDAV:  cpu time   27.2440: real time   27.3175
       DOS:  cpu time    0.0021: real time    0.0021
    CHARGE:  cpu time    1.4364: real time    1.4402
    MIXING:  cpu time    0.0095: real time    0.0096
    --------------------------------------------
      LOOP:  cpu time   28.8053: real time   28.8831

 eigenvalue-minimisations  : 25016
 total energy-change (2. order) :-0.1786702E-07  (-0.1587627E-10)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926513 magnetization 

 Broyden mixing:
  rms(total) = 0.98046E-06    rms(broyden)= 0.98042E-06
  rms(prec ) = 0.10144E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5293
  9.4323  8.2623  5.9201  4.3737  3.2572  2.7784  2.4321  2.4321  1.8967  1.8967
  1.3928  1.3928  1.1835  1.1835  1.1042  1.1042  1.0305  1.0305  0.9457  0.9194
  0.9194  0.7568

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83995644
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736251
  PAW double counting   =      3520.69455940    -3529.24356672
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92559996
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423473 eV

  energy without entropy =      -82.05423473  energy(sigma->0) =      -82.05423473


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




--------------------------------------- Iteration      1(  28)  ---------------------------------------


    POTLOK:  cpu time    0.1150: real time    0.1155
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   24.7698: real time   24.8369
       DOS:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time   24.8877: real time   24.9553

 eigenvalue-minimisations  : 22184
 total energy-change (2. order) :-0.6758455E-08  (-0.4908099E-11)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926513 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83984477
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736147
  PAW double counting   =      3520.69498800    -3529.24399480
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92571112
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423474 eV

  energy without entropy =      -82.05423474  energy(sigma->0) =      -82.05423474


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




 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 -59.7779       2 -59.7785       3 -59.7783       4 -59.7788       5 -40.6243
       6 -40.6203       7 -40.6212       8 -40.6226       9 -72.5511      10 -72.5513
      11 -72.5512      12 -72.5513
 
 
 
 E-fermi :  -3.1168     XC(G=0):  -1.9598     alpha+bet : -1.6608


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.7165      2.00000
      2     -21.3816      2.00000
      3     -20.6296      2.00000
      4     -20.4253      2.00000
      5     -17.2649      2.00000
      6     -15.5161      2.00000
      7     -14.8875      2.00000
      8     -13.4850      2.00000
      9     -12.6372      2.00000
     10     -12.2239      2.00000
     11     -11.0312      2.00000
     12     -11.0289      2.00000
     13      -9.9204      2.00000
     14      -9.3140      2.00000
     15      -8.4783      2.00000
     16      -7.6971      2.00000
     17      -5.1007      2.00000
     18      -4.0455      2.00000
     19      -3.7239      2.00000
     20      -3.1672      2.00000
     21       0.4817      0.00000
     22       0.5559      0.00000
     23       1.3728      0.00000
     24       1.5921      0.00000
     25       1.9579      0.00000
     26       2.3833      0.00000
     27       2.4707      0.00000
     28       2.6970      0.00000

 k-point     2 :       0.0556    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.6953      2.00000
      2     -21.3660      2.00000
      3     -20.6191      2.00000
      4     -20.5597      2.00000
      5     -17.1075      2.00000
      6     -15.6081      2.00000
      7     -14.9891      2.00000
      8     -13.4327      2.00000
      9     -12.6195      2.00000
     10     -12.1151      2.00000
     11     -11.0114      2.00000
     12     -10.9499      2.00000
     13      -9.9342      2.00000
     14      -9.3520      2.00000
     15      -8.5193      2.00000
     16      -7.7289      2.00000
     17      -5.0894      2.00000
     18      -4.0648      2.00000
     19      -3.7611      2.00000
     20      -3.1860      2.00000
     21       0.4995      0.00000
     22       0.5795      0.00000
     23       1.4015      0.00000
     24       1.6196      0.00000
     25       1.9850      0.00000
     26       2.4080      0.00000
     27       2.5351      0.00000
     28       2.7662      0.00000

 k-point     3 :       0.1111    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.6317      2.00000
      2     -21.3195      2.00000
      3     -20.9006      2.00000
      4     -20.5885      2.00000
      5     -16.6986      2.00000
      6     -15.8482      2.00000
      7     -15.2472      2.00000
      8     -13.3061      2.00000
      9     -12.5673      2.00000
     10     -11.8273      2.00000
     11     -10.9596      2.00000
     12     -10.7250      2.00000
     13      -9.9787      2.00000
     14      -9.4610      2.00000
     15      -8.6370      2.00000
     16      -7.8179      2.00000
     17      -5.0545      2.00000
     18      -4.1279      2.00000
     19      -3.8679      2.00000
     20      -3.2417      2.00000
     21       0.5544      0.00000
     22       0.6511      0.00000
     23       1.4876      0.00000
     24       1.7026      0.00000
     25       2.0663      0.00000
     26       2.4827      0.00000
     27       2.7212      0.00000
     28       2.9026      0.00000

 k-point     4 :       0.1667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.5260      2.00000
      2     -21.3452      2.00000
      3     -21.2436      2.00000
      4     -20.5414      2.00000
      5     -16.1660      2.00000
      6     -16.1442      2.00000
      7     -15.5854      2.00000
      8     -13.1441      2.00000
      9     -12.4825      2.00000
     10     -11.4408      2.00000
     11     -10.8766      2.00000
     12     -10.4007      2.00000
     13     -10.0620      2.00000
     14      -9.6237      2.00000
     15      -8.8158      2.00000
     16      -7.9481      2.00000
     17      -4.9935      2.00000
     18      -4.2440      2.00000
     19      -4.0317      2.00000
     20      -3.3318      2.00000
     21       0.6505      0.00000
     22       0.7727      0.00000
     23       1.6313      0.00000
     24       1.8416      0.00000
     25       2.2024      0.00000
     26       2.6090      0.00000
     27       3.0079      0.00000
     28       3.0180      0.00000

 k-point     5 :       0.2222    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.3784      2.00000
      2     -21.8271      2.00000
      3     -21.1410      2.00000
      4     -20.4841      2.00000
      5     -16.5025      2.00000
      6     -15.9511      2.00000
      7     -15.5164      2.00000
      8     -12.9589      2.00000
      9     -12.3699      2.00000
     10     -11.0460      2.00000
     11     -10.7703      2.00000
     12     -10.1942      2.00000
     13     -10.0292      2.00000
     14      -9.7992      2.00000
     15      -9.0313      2.00000
     16      -8.1017      2.00000
     17      -4.9051      2.00000
     18      -4.4147      2.00000
     19      -4.2344      2.00000
     20      -3.4512      2.00000
     21       0.7925      0.00000
     22       0.9472      0.00000
     23       1.8326      0.00000
     24       2.0373      0.00000
     25       2.3945      0.00000
     26       2.7864      0.00000
     27       3.1600      0.00000
     28       3.3406      0.00000

 k-point     6 :       0.2778    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.1893      2.00000
      2     -22.3124      2.00000
      3     -21.0161      2.00000
      4     -20.4265      2.00000
      5     -16.8157      2.00000
      6     -16.3120      2.00000
      7     -14.8575      2.00000
      8     -12.7505      2.00000
      9     -12.2387      2.00000
     10     -10.7897      2.00000
     11     -10.6586      2.00000
     12     -10.3802      2.00000
     13      -9.8711      2.00000
     14      -9.6596      2.00000
     15      -9.2474      2.00000
     16      -8.2680      2.00000
     17      -4.7910      2.00000
     18      -4.6228      2.00000
     19      -4.4556      2.00000
     20      -3.5920      2.00000
     21       0.9840      0.00000
     22       1.1770      0.00000
     23       2.0918      0.00000
     24       2.2897      0.00000
     25       2.6437      0.00000
     26       3.0046      0.00000
     27       3.3053      0.00000
     28       3.5618      0.00000

 k-point     7 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -24.9591      2.00000
      2     -22.7835      2.00000
      3     -20.8754      2.00000
      4     -20.3823      2.00000
      5     -17.0736      2.00000
      6     -16.6454      2.00000
      7     -14.1968      2.00000
      8     -12.5173      2.00000
      9     -12.1108      2.00000
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     25       2.9505      0.00000
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     27       3.3184      0.00000
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 k-point     8 :       0.3889    0.0000    0.0000
  band No.  band energies     occupation 
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     23       2.7841      0.00000
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     25       2.9458      0.00000
     26       3.2186      0.00000
     27       3.3143      0.00000
     28       3.6134      0.00000

 k-point     9 :       0.4444    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -23.6479      2.00000
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     21       1.8411      0.00000
     22       2.1934      0.00000
     23       2.5514      0.00000
     24       3.0981      0.00000
     25       3.1098      0.00000
     26       3.2168      0.00000
     27       3.3636      0.00000
     28       3.4325      0.00000

 k-point    10 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
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     12     -10.8664      2.00000
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     17      -5.1002      2.00000
     18      -5.0955      2.00000
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     20      -4.2034      2.00000
     21       2.1903      0.00000
     22       2.1907      0.00000
     23       2.6306      0.00000
     24       2.6323      0.00000
     25       3.1519      0.00000
     26       3.1522      0.00000
     27       3.7068      0.00000
     28       3.7069      0.00000

 k-point    11 :       0.0000    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.6974      2.00000
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     11     -11.0122      2.00000
     12     -10.9263      2.00000
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     16      -7.6849      2.00000
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     18      -4.0527      2.00000
     19      -3.7364      2.00000
     20      -3.1846      2.00000
     21       0.4980      0.00000
     22       0.5714      0.00000
     23       1.4000      0.00000
     24       1.6187      0.00000
     25       1.9785      0.00000
     26       2.4090      0.00000
     27       2.4923      0.00000
     28       2.6236      0.00000

 k-point    12 :       0.0556    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.6762      2.00000
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     10     -12.2009      2.00000
     11     -10.9969      2.00000
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     14      -9.3328      2.00000
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     19      -3.7732      2.00000
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     21       0.5159      0.00000
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     23       1.4286      0.00000
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     25       2.0054      0.00000
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     27       2.5521      0.00000
     28       2.6814      0.00000

 k-point    13 :       0.1111    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.6127      2.00000
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     27       2.7225      0.00000
     28       2.8301      0.00000

 k-point    14 :       0.1667    0.0588    0.0000
  band No.  band energies     occupation 
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 k-point    15 :       0.2222    0.0588    0.0000
  band No.  band energies     occupation 
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     26       2.8121      0.00000
     27       3.1656      0.00000
     28       3.2347      0.00000

 k-point    16 :       0.2778    0.0588    0.0000
  band No.  band energies     occupation 
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     20      -3.6160      2.00000
     21       1.0025      0.00000
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     26       3.0258      0.00000
     27       3.2977      0.00000
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 k-point    17 :       0.3333    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.9404      2.00000
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     26       3.1426      0.00000
     27       3.3691      0.00000
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 k-point    18 :       0.3889    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.6702      2.00000
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     21       1.5339      0.00000
     22       1.8098      0.00000
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     26       3.2682      0.00000
     27       3.3262      0.00000
     28       3.6045      0.00000

 k-point    19 :       0.4444    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.3607      2.00000
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     17      -5.0957      2.00000
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     21       1.8603      0.00000
     22       2.1987      0.00000
     23       2.5595      0.00000
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     26       3.2430      0.00000
     27       3.3836      0.00000
     28       3.4631      0.00000

 k-point    20 :       0.5000    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.0138      2.00000
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     14      -9.1011      2.00000
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     17      -5.1020      2.00000
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     19      -4.2386      2.00000
     20      -4.2357      2.00000
     21       2.2077      0.00000
     22       2.2081      0.00000
     23       2.6331      0.00000
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     25       3.1693      0.00000
     26       3.1697      0.00000
     27       3.7324      0.00000
     28       3.7325      0.00000

 k-point    21 :      -0.4444    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.3607      2.00000
      2     -23.6298      2.00000
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     10     -11.3449      2.00000
     11     -10.9951      2.00000
     12     -10.6293      2.00000
     13      -9.3052      2.00000
     14      -9.1836      2.00000
     15      -8.9669      2.00000
     16      -8.8710      2.00000
     17      -5.0958      2.00000
     18      -5.0194      2.00000
     19      -4.3904      2.00000
     20      -4.0835      2.00000
     21       1.8602      0.00000
     22       2.1987      0.00000
     23       2.5594      0.00000
     24       3.1081      0.00000
     25       3.1179      0.00000
     26       3.2430      0.00000
     27       3.3833      0.00000
     28       3.4632      0.00000

 k-point    22 :      -0.3889    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.6702      2.00000
      2     -23.2128      2.00000
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     10     -11.0560      2.00000
     11     -10.9919      2.00000
     12     -10.4430      2.00000
     13      -9.4540      2.00000
     14      -9.4230      2.00000
     15      -9.0569      2.00000
     16      -8.6475      2.00000
     17      -5.0024      2.00000
     18      -4.8723      2.00000
     19      -4.5424      2.00000
     20      -3.9279      2.00000
     21       1.5338      0.00000
     22       1.8098      0.00000
     23       2.8105      0.00000
     24       2.8917      0.00000
     25       2.9897      0.00000
     26       3.2686      0.00000
     27       3.3262      0.00000
     28       3.6045      0.00000

 k-point    23 :      -0.3333    0.0588    0.0000
  band No.  band energies     occupation 
      1     -24.9404      2.00000
      2     -22.7660      2.00000
      3     -21.0318      2.00000
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     10     -10.8702      2.00000
     11     -10.8329      2.00000
     12     -10.3400      2.00000
     13      -9.7515      2.00000
     14      -9.3945      2.00000
     15      -9.2669      2.00000
     16      -8.4454      2.00000
     17      -4.8341      2.00000
     18      -4.6886      2.00000
     19      -4.6791      2.00000
     20      -3.7703      2.00000
     21       1.2448      0.00000
     22       1.4719      0.00000
     23       2.4356      0.00000
     24       2.6239      0.00000
     25       2.9648      0.00000
     26       3.1419      0.00000
     27       3.3691      0.00000
     28       3.5270      0.00000

 k-point    24 :      -0.2778    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.1704      2.00000
      2     -22.2953      2.00000
      3     -21.1861      2.00000
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     10     -10.8282      2.00000
     11     -10.7923      2.00000
     12     -10.2644      2.00000
     13      -9.9076      2.00000
     14      -9.5627      2.00000
     15      -9.2408      2.00000
     16      -8.2624      2.00000
     17      -4.8208      2.00000
     18      -4.6254      2.00000
     19      -4.4619      2.00000
     20      -3.6158      2.00000
     21       1.0025      0.00000
     22       1.1881      0.00000
     23       2.1186      0.00000
     24       2.3166      0.00000
     25       2.6598      0.00000
     26       3.0256      0.00000
     27       3.2972      0.00000
     28       3.4863      0.00000

 k-point    25 :      -0.2222    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.3595      2.00000
      2     -21.8104      2.00000
      3     -21.3203      2.00000
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     10     -11.1242      2.00000
     11     -10.8183      2.00000
     12     -10.1526      2.00000
     13      -9.9651      2.00000
     14      -9.7596      2.00000
     15      -9.0396      2.00000
     16      -8.0916      2.00000
     17      -4.9320      2.00000
     18      -4.4190      2.00000
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     20      -3.4731      2.00000
     21       0.8103      0.00000
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     23       1.8595      0.00000
     24       2.0642      0.00000
     25       2.4121      0.00000
     26       2.8119      0.00000
     27       3.1655      0.00000
     28       3.2347      0.00000

 k-point    26 :      -0.1667    0.0588    0.0000
  band No.  band energies     occupation 
      1     -25.5071      2.00000
      2     -21.4291      2.00000
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     10     -11.5312      2.00000
     11     -10.8875      2.00000
     12     -10.3042      2.00000
     13     -10.0430      2.00000
     14      -9.6004      2.00000
     15      -8.8417      2.00000
     16      -7.9346      2.00000
     17      -5.0173      2.00000
     18      -4.2499      2.00000
     19      -4.0411      2.00000
     20      -3.3520      2.00000
     21       0.6676      0.00000
     22       0.7868      0.00000
     23       1.6582      0.00000
     24       1.8684      0.00000
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  band No.  band energies     occupation 
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 k-point    28 :      -0.0556    0.0588    0.0000
  band No.  band energies     occupation 
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 k-point    29 :       0.0000    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    30 :       0.0556    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    31 :       0.1111    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    32 :       0.1667    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    33 :       0.2222    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    34 :       0.2778    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    35 :       0.3333    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    36 :       0.3889    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    37 :       0.4444    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    38 :       0.5000    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    39 :      -0.4444    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    40 :      -0.3889    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    41 :      -0.3333    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    42 :      -0.2778    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    43 :      -0.2222    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    44 :      -0.1667    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    45 :      -0.1111    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    46 :      -0.0556    0.1176    0.0000
  band No.  band energies     occupation 
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 k-point    47 :       0.0000    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    48 :       0.0556    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    49 :       0.1111    0.1765    0.0000
  band No.  band energies     occupation 
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     28       2.8229      0.00000

 k-point    50 :       0.1667    0.1765    0.0000
  band No.  band energies     occupation 
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     27       2.9142      0.00000
     28       3.0282      0.00000

 k-point    51 :       0.2222    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    52 :       0.2778    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    53 :       0.3333    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    54 :       0.3889    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    55 :       0.4444    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    56 :       0.5000    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    57 :      -0.4444    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    58 :      -0.3889    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    59 :      -0.3333    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    60 :      -0.2778    0.1765    0.0000
  band No.  band energies     occupation 
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 k-point    61 :      -0.2222    0.1765    0.0000
  band No.  band energies     occupation 
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     27       3.0991      0.00000
     28       3.1997      0.00000

 k-point    62 :      -0.1667    0.1765    0.0000
  band No.  band energies     occupation 
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     23       1.8737      0.00000
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 k-point    63 :      -0.1111    0.1765    0.0000
  band No.  band energies     occupation 
      1     -25.4611      2.00000
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     11     -10.9685      2.00000
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 k-point    64 :      -0.0556    0.1765    0.0000
  band No.  band energies     occupation 
      1     -25.5244      2.00000
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 k-point    65 :       0.0000    0.2353    0.0000
  band No.  band energies     occupation 
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     11     -10.9598      2.00000
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     21       0.7632      0.00000
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     27       2.7719      0.00000
     28       2.7984      0.00000

 k-point    66 :       0.0556    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.3924      2.00000
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     25       2.2888      0.00000
     26       2.7187      0.00000
     27       2.7970      0.00000
     28       2.8268      0.00000

 k-point    67 :       0.1111    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.3293      2.00000
      2     -22.6778      2.00000
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     16      -7.7060      2.00000
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     18      -4.2333      2.00000
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     20      -3.5293      2.00000
     21       0.8426      0.00000
     22       0.9007      0.00000
     23       1.9201      0.00000
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     25       2.3594      0.00000
     26       2.8496      0.00000
     27       2.8691      0.00000
     28       2.9209      0.00000

 k-point    68 :       0.1667    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.2242      2.00000
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     11     -11.1674      2.00000
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     16      -7.8232      2.00000
     17      -5.2632      2.00000
     18      -4.3346      2.00000
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     20      -3.6374      2.00000
     21       0.9463      0.00000
     22       1.0094      0.00000
     23       2.0618      0.00000
     24       2.2732      0.00000
     25       2.4765      0.00000
     26       2.9818      0.00000
     27       2.9993      0.00000
     28       3.0811      0.00000

 k-point    69 :       0.2222    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.0776      2.00000
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     10     -11.6600      2.00000
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     17      -5.2241      2.00000
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     21       1.0972      0.00000
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     25       2.6419      0.00000
     26       3.1190      0.00000
     27       3.1380      0.00000
     28       3.2553      0.00000

 k-point    70 :       0.2778    0.2353    0.0000
  band No.  band energies     occupation 
      1     -24.8897      2.00000
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     12      -9.8035      2.00000
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     17      -5.1591      2.00000
     18      -4.6776      2.00000
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     21       1.2972      0.00000
     22       1.3687      0.00000
     23       2.5151      0.00000
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     25       2.8608      0.00000
     26       3.0820      0.00000
     27       3.3511      0.00000
     28       3.5426      0.00000

 k-point    71 :       0.3333    0.2353    0.0000
  band No.  band energies     occupation 
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     11     -10.8960      2.00000
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     17      -5.0678      2.00000
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     25       3.0602      0.00000
     26       3.1362      0.00000
     27       3.5931      0.00000
     28       3.7763      0.00000

 k-point    72 :       0.3889    0.2353    0.0000
  band No.  band energies     occupation 
      1     -24.3929      2.00000
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     10     -11.4869      2.00000
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     26       3.4241      0.00000
     27       3.5585      0.00000
     28       3.6541      0.00000

 k-point    73 :       0.4444    0.2353    0.0000
  band No.  band energies     occupation 
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 k-point    74 :       0.5000    0.2353    0.0000
  band No.  band energies     occupation 
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     25       3.4193      0.00000
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     27       4.0575      0.00000
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 k-point    75 :      -0.4444    0.2353    0.0000
  band No.  band energies     occupation 
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 k-point    76 :      -0.3889    0.2353    0.0000
  band No.  band energies     occupation 
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 k-point    77 :      -0.3333    0.2353    0.0000
  band No.  band energies     occupation 
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 k-point    78 :      -0.2778    0.2353    0.0000
  band No.  band energies     occupation 
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     26       3.0816      0.00000
     27       3.3515      0.00000
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 k-point    79 :      -0.2222    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.0776      2.00000
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     27       3.1383      0.00000
     28       3.2988      0.00000

 k-point    80 :      -0.1667    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.2242      2.00000
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     11     -11.1680      2.00000
     12      -9.8750      2.00000
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     14      -9.2036      2.00000
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     17      -5.2642      2.00000
     18      -4.3351      2.00000
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     21       0.9461      0.00000
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     25       2.4764      0.00000
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     27       2.9990      0.00000
     28       3.0808      0.00000

 k-point    81 :      -0.1111    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.3293      2.00000
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     10     -12.2481      2.00000
     11     -11.0433      2.00000
     12      -9.8682      2.00000
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     16      -7.7062      2.00000
     17      -5.2817      2.00000
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     20      -3.5289      2.00000
     21       0.8425      0.00000
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     25       2.3593      0.00000
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     27       2.8693      0.00000
     28       2.9196      0.00000

 k-point    82 :      -0.0556    0.2353    0.0000
  band No.  band energies     occupation 
      1     -25.3924      2.00000
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      3     -20.3215      2.00000
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     10     -12.4057      2.00000
     11     -10.9789      2.00000
     12     -10.0216      2.00000
     13      -9.8499      2.00000
     14      -9.0831      2.00000
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     16      -7.6405      2.00000
     17      -5.2862      2.00000
     18      -4.1782      2.00000
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     20      -3.4609      2.00000
     21       0.7826      0.00000
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     25       2.2888      0.00000
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     27       2.7971      0.00000
     28       2.8266      0.00000

 k-point    83 :       0.0000    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.2447      2.00000
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      8     -13.5799      2.00000
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     10     -12.2077      2.00000
     11     -11.0295      2.00000
     12      -9.8770      2.00000
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     14      -9.3046      2.00000
     15      -8.8642      2.00000
     16      -7.6326      2.00000
     17      -5.3090      2.00000
     18      -4.2285      2.00000
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     20      -3.5772      2.00000
     21       0.9360      0.00000
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     27       2.9325      0.00000
     28       3.0899      0.00000

 k-point    84 :       0.0556    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.2237      2.00000
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      3     -20.1940      2.00000
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     10     -12.1549      2.00000
     11     -11.0681      2.00000
     12      -9.8776      2.00000
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     14      -9.3012      2.00000
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     16      -7.6479      2.00000
     17      -5.3139      2.00000
     18      -4.2452      2.00000
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     20      -3.6020      2.00000
     21       0.9564      0.00000
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     25       2.4594      0.00000
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     27       2.9559      0.00000
     28       3.0925      0.00000

 k-point    85 :       0.1111    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.1608      2.00000
      2     -23.0739      2.00000
      3     -20.5213      2.00000
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     10     -12.0279      2.00000
     11     -11.1858      2.00000
     12      -9.8707      2.00000
     13      -9.6380      2.00000
     14      -9.2909      2.00000
     15      -8.9179      2.00000
     16      -7.7004      2.00000
     17      -5.3245      2.00000
     18      -4.2982      2.00000
     19      -4.2378      2.00000
     20      -3.6742      2.00000
     21       1.0187      0.00000
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     23       2.1632      0.00000
     24       2.3762      0.00000
     25       2.5266      0.00000
     26       2.9150      0.00000
     27       3.0106      0.00000
     28       3.1091      0.00000

 k-point    86 :       0.1667    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.0562      2.00000
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     12      -9.8425      2.00000
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     14      -9.2744      2.00000
     15      -8.9487      2.00000
     16      -7.8028      2.00000
     17      -5.3299      2.00000
     18      -4.4033      2.00000
     19      -4.3712      2.00000
     20      -3.7876      2.00000
     21       1.1256      0.00000
     22       1.1690      0.00000
     23       2.3032      0.00000
     24       2.5171      0.00000
     25       2.6358      0.00000
     26       3.0512      0.00000
     27       3.0533      0.00000
     28       3.2112      0.00000

 k-point    87 :       0.2222    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.9101      2.00000
      2     -22.8428      2.00000
      3     -21.4189      2.00000
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      9     -12.4351      2.00000
     10     -11.6318      2.00000
     11     -11.6231      2.00000
     12      -9.7887      2.00000
     13      -9.4677      2.00000
     14      -9.2573      2.00000
     15      -8.9057      2.00000
     16      -7.9628      2.00000
     17      -5.3189      2.00000
     18      -4.5756      2.00000
     19      -4.5157      2.00000
     20      -3.9332      2.00000
     21       1.2802      0.00000
     22       1.3159      0.00000
     23       2.4977      0.00000
     24       2.7140      0.00000
     25       2.7858      0.00000
     26       3.0957      0.00000
     27       3.1359      0.00000
     28       3.3903      0.00000

 k-point    88 :       0.2778    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.7231      2.00000
      2     -22.6715      2.00000
      3     -21.8923      2.00000
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      8     -12.6526      2.00000
      9     -12.0411      2.00000
     10     -11.8918      2.00000
     11     -11.3146      2.00000
     12      -9.7219      2.00000
     13      -9.5654      2.00000
     14      -9.2481      2.00000
     15      -8.8079      2.00000
     16      -8.1746      2.00000
     17      -5.2839      2.00000
     18      -4.7692      2.00000
     19      -4.6919      2.00000
     20      -4.1009      2.00000
     21       1.4831      0.00000
     22       1.5095      0.00000
     23       2.7457      0.00000
     24       2.9456      0.00000
     25       2.9865      0.00000
     26       3.0310      0.00000
     27       3.3035      0.00000
     28       3.6232      0.00000

 k-point    89 :       0.3333    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.4956      2.00000
      2     -22.4647      2.00000
      3     -22.3533      2.00000
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      8     -12.5331      2.00000
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     10     -11.7126      2.00000
     11     -10.9618      2.00000
     12      -9.6911      2.00000
     13      -9.6872      2.00000
     14      -9.2437      2.00000
     15      -8.7516      2.00000
     16      -8.4136      2.00000
     17      -5.2209      2.00000
     18      -4.9556      2.00000
     19      -4.8853      2.00000
     20      -4.2818      2.00000
     21       1.7324      0.00000
     22       1.7548      0.00000
     23       2.8888      0.00000
     24       3.0460      0.00000
     25       3.2488      0.00000
     26       3.2894      0.00000
     27       3.5305      0.00000
     28       3.8863      0.00000

 k-point    90 :       0.3889    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.2285      2.00000
      2     -22.7920      2.00000
      3     -22.2241      2.00000
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      8     -12.7962      2.00000
      9     -11.5040      2.00000
     10     -11.4277      2.00000
     11     -10.7167      2.00000
     12      -9.7856      2.00000
     13      -9.7083      2.00000
     14      -9.2014      2.00000
     15      -8.7922      2.00000
     16      -8.6380      2.00000
     17      -5.1264      2.00000
     18      -5.1114      2.00000
     19      -5.0625      2.00000
     20      -4.4700      2.00000
     21       2.0223      0.00000
     22       2.0527      0.00000
     23       2.8567      0.00000
     24       3.3697      0.00000
     25       3.4921      0.00000
     26       3.6459      0.00000
     27       3.6791      0.00000
     28       3.8078      0.00000

 k-point    91 :       0.4444    0.2941    0.0000
  band No.  band energies     occupation 
      1     -23.9229      2.00000
      2     -23.2023      2.00000
      3     -21.9525      2.00000
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      8     -13.1488      2.00000
      9     -11.1632      2.00000
     10     -10.9994      2.00000
     11     -10.7340      2.00000
     12     -10.0742      2.00000
     13      -9.5035      2.00000
     14      -9.1000      2.00000
     15      -8.9472      2.00000
     16      -8.8192      2.00000
     17      -5.2137      2.00000
     18      -5.1886      2.00000
     19      -4.9979      2.00000
     20      -4.6592      2.00000
     21       2.3434      0.00000
     22       2.3982      0.00000
     23       2.8658      0.00000
     24       3.1669      0.00000
     25       3.4865      0.00000
     26       3.8096      0.00000
     27       3.8862      0.00000
     28       4.0102      0.00000

 k-point    92 :       0.5000    0.2941    0.0000
  band No.  band energies     occupation 
      1     -23.5805      2.00000
      2     -23.5797      2.00000
      3     -21.6535      2.00000
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      8     -13.5221      2.00000
      9     -10.9207      2.00000
     10     -10.9194      2.00000
     11     -10.5024      2.00000
     12     -10.5012      2.00000
     13      -9.2041      2.00000
     14      -9.2025      2.00000
     15      -8.9692      2.00000
     16      -8.9680      2.00000
     17      -5.2435      2.00000
     18      -5.2400      2.00000
     19      -4.8399      2.00000
     20      -4.8383      2.00000
     21       2.6694      0.00000
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     23       2.7784      0.00000
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     25       3.5517      0.00000
     26       3.5524      0.00000
     27       4.1715      0.00000
     28       4.1722      0.00000

 k-point    93 :      -0.4444    0.2941    0.0000
  band No.  band energies     occupation 
      1     -23.9229      2.00000
      2     -23.2023      2.00000
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     10     -10.9995      2.00000
     11     -10.7340      2.00000
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     13      -9.5021      2.00000
     14      -9.0996      2.00000
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     17      -5.2110      2.00000
     18      -5.1912      2.00000
     19      -4.9992      2.00000
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     21       2.3432      0.00000
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     24       3.1672      0.00000
     25       3.4866      0.00000
     26       3.8094      0.00000
     27       3.8863      0.00000
     28       4.0100      0.00000

 k-point    94 :      -0.3889    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.2285      2.00000
      2     -22.7920      2.00000
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     10     -11.4279      2.00000
     11     -10.7162      2.00000
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     17      -5.1278      2.00000
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     20      -4.4689      2.00000
     21       2.0220      0.00000
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     24       3.3695      0.00000
     25       3.4923      0.00000
     26       3.6459      0.00000
     27       3.6795      0.00000
     28       3.8076      0.00000

 k-point    95 :      -0.3333    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.4956      2.00000
      2     -22.4646      2.00000
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     10     -11.7131      2.00000
     11     -10.9605      2.00000
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     17      -5.2223      2.00000
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     25       3.2487      0.00000
     26       3.2894      0.00000
     27       3.5303      0.00000
     28       3.8852      0.00000

 k-point    96 :      -0.2778    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.7231      2.00000
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     10     -11.8918      2.00000
     11     -11.3127      2.00000
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     17      -5.2852      2.00000
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     20      -4.0999      2.00000
     21       1.4828      0.00000
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     23       2.7457      0.00000
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     25       2.9865      0.00000
     26       3.0309      0.00000
     27       3.3032      0.00000
     28       3.6221      0.00000

 k-point    97 :      -0.2222    0.2941    0.0000
  band No.  band energies     occupation 
      1     -24.9101      2.00000
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     10     -11.6321      2.00000
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     12      -9.7868      2.00000
     13      -9.4683      2.00000
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     17      -5.3201      2.00000
     18      -4.5743      2.00000
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     20      -3.9325      2.00000
     21       1.2799      0.00000
     22       1.3158      0.00000
     23       2.4977      0.00000
     24       2.7139      0.00000
     25       2.7858      0.00000
     26       3.0954      0.00000
     27       3.1360      0.00000
     28       3.3892      0.00000

 k-point    98 :      -0.1667    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.0562      2.00000
      2     -22.9773      2.00000
      3     -20.9508      2.00000
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     10     -11.8518      2.00000
     11     -11.3800      2.00000
     12      -9.8408      2.00000
     13      -9.4974      2.00000
     14      -9.2756      2.00000
     15      -8.9481      2.00000
     16      -7.8030      2.00000
     17      -5.3310      2.00000
     18      -4.4025      2.00000
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     20      -3.7870      2.00000
     21       1.1254      0.00000
     22       1.1690      0.00000
     23       2.3032      0.00000
     24       2.5171      0.00000
     25       2.6357      0.00000
     26       3.0512      0.00000
     27       3.0537      0.00000
     28       3.2102      0.00000

 k-point    99 :      -0.1111    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.1608      2.00000
      2     -23.0739      2.00000
      3     -20.5213      2.00000
      4     -19.5689      2.00000
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      7     -13.4830      2.00000
      8     -13.4297      2.00000
      9     -13.2512      2.00000
     10     -12.0259      2.00000
     11     -11.1862      2.00000
     12      -9.8692      2.00000
     13      -9.6390      2.00000
     14      -9.2918      2.00000
     15      -8.9173      2.00000
     16      -7.7006      2.00000
     17      -5.3253      2.00000
     18      -4.2983      2.00000
     19      -4.2376      2.00000
     20      -3.6737      2.00000
     21       1.0185      0.00000
     22       1.0648      0.00000
     23       2.1632      0.00000
     24       2.3762      0.00000
     25       2.5265      0.00000
     26       2.9151      0.00000
     27       3.0112      0.00000
     28       3.1084      0.00000

 k-point   100 :      -0.0556    0.2941    0.0000
  band No.  band energies     occupation 
      1     -25.2237      2.00000
      2     -23.1322      2.00000
      3     -20.1940      2.00000
      4     -19.4555      2.00000
      5     -16.9632      2.00000
      6     -16.8693      2.00000
      7     -13.5427      2.00000
      8     -13.5309      2.00000
      9     -13.2161      2.00000
     10     -12.1536      2.00000
     11     -11.0684      2.00000
     12      -9.8767      2.00000
     13      -9.7778      2.00000
     14      -9.3017      2.00000
     15      -8.8790      2.00000
     16      -7.6480      2.00000
     17      -5.3143      2.00000
     18      -4.2453      2.00000
     19      -4.1432      2.00000
     20      -3.6018      2.00000
     21       0.9563      0.00000
     22       1.0020      0.00000
     23       2.0789      0.00000
     24       2.2917      0.00000
     25       2.4593      0.00000
     26       2.7949      0.00000
     27       2.9560      0.00000
     28       3.0924      0.00000

 k-point   101 :       0.0000    0.3529    0.0000
  band No.  band energies     occupation 
      1     -25.0401      2.00000
      2     -23.5328      2.00000
      3     -19.9207      2.00000
      4     -19.3444      2.00000
      5     -17.0588      2.00000
      6     -16.9682      2.00000
      7     -13.8085      2.00000
      8     -13.7875      2.00000
      9     -12.7141      2.00000
     10     -11.8666      2.00000
     11     -11.1714      2.00000
     12     -10.0169      2.00000
     13      -9.6478      2.00000
     14      -9.4679      2.00000
     15      -8.6617      2.00000
     16      -7.6878      2.00000
     17      -5.2779      2.00000
     18      -4.3777      2.00000
     19      -4.1894      2.00000
     20      -3.7304      2.00000
     21       1.1542      0.00000
     22       1.2073      0.00000
     23       2.3460      0.00000
     24       2.5564      0.00000
     25       2.6173      0.00000
     26       2.7838      0.00000
     27       3.0331      0.00000
     28       3.2534      0.00000

 k-point   102 :       0.0556    0.3529    0.0000
  band No.  band energies     occupation 
      1     -25.0192      2.00000
      2     -23.5129      2.00000
      3     -20.0457      2.00000
      4     -19.4048      2.00000
      5     -16.9685      2.00000
      6     -16.9346      2.00000
      7     -13.7415      2.00000
      8     -13.7089      2.00000
      9     -12.8205      2.00000
     10     -11.8149      2.00000
     11     -11.2305      2.00000
     12     -10.0018      2.00000
     13      -9.6055      2.00000
     14      -9.4581      2.00000
     15      -8.6655      2.00000
     16      -7.6971      2.00000
     17      -5.2885      2.00000
     18      -4.4008      2.00000
     19      -4.2155      2.00000
     20      -3.7562      2.00000
     21       1.1754      0.00000
     22       1.2281      0.00000
     23       2.3737      0.00000
     24       2.5851      0.00000
     25       2.6393      0.00000
     26       2.8184      0.00000
     27       3.0431      0.00000
     28       3.2617      0.00000

 k-point   103 :       0.1111    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.9566      2.00000
      2     -23.4535      2.00000
      3     -20.3652      2.00000
      4     -19.5786      2.00000
      5     -16.9570      2.00000
      6     -16.6203      2.00000
      7     -13.6020      2.00000
      8     -13.4326      2.00000
      9     -13.0837      2.00000
     10     -11.6965      2.00000
     11     -11.3972      2.00000
     12      -9.9583      2.00000
     13      -9.5041      2.00000
     14      -9.4306      2.00000
     15      -8.6732      2.00000
     16      -7.7334      2.00000
     17      -5.3159      2.00000
     18      -4.4722      2.00000
     19      -4.2883      2.00000
     20      -3.8309      2.00000
     21       1.2399      0.00000
     22       1.2899      0.00000
     23       2.4561      0.00000
     24       2.6709      0.00000
     25       2.7039      0.00000
     26       2.9067      0.00000
     27       3.0551      0.00000
     28       3.2901      0.00000

 k-point   104 :       0.1667    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.8525      2.00000
      2     -23.3548      2.00000
      3     -20.7862      2.00000
      4     -19.8443      2.00000
      5     -16.9121      2.00000
      6     -16.2157      2.00000
      7     -13.4342      2.00000
      8     -13.3671      2.00000
      9     -13.0233      2.00000
     10     -11.6454      2.00000
     11     -11.5478      2.00000
     12      -9.8929      2.00000
     13      -9.4047      2.00000
     14      -9.3884      2.00000
     15      -8.6736      2.00000
     16      -7.8151      2.00000
     17      -5.3476      2.00000
     18      -4.5932      2.00000
     19      -4.3969      2.00000
     20      -3.9476      2.00000
     21       1.3501      0.00000
     22       1.3912      0.00000
     23       2.5911      0.00000
     24       2.8041      0.00000
     25       2.8129      0.00000
     26       2.9963      0.00000
     27       3.0544      0.00000
     28       3.3766      0.00000

 k-point   105 :       0.2222    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.7072      2.00000
      2     -23.2173      2.00000
      3     -21.2467      2.00000
      4     -20.1731      2.00000
      5     -16.8211      2.00000
      6     -15.7896      2.00000
      7     -13.8186      2.00000
      8     -13.0435      2.00000
      9     -12.5449      2.00000
     10     -11.9406      2.00000
     11     -11.3718      2.00000
     12      -9.8141      2.00000
     13      -9.3707      2.00000
     14      -9.3371      2.00000
     15      -8.6549      2.00000
     16      -7.9573      2.00000
     17      -5.3701      2.00000
     18      -4.7536      2.00000
     19      -4.5376      2.00000
     20      -4.0965      2.00000
     21       1.5078      0.00000
     22       1.5319      0.00000
     23       2.7693      0.00000
     24       2.9251      0.00000
     25       2.9849      0.00000
     26       3.0286      0.00000
     27       3.1189      0.00000
     28       3.5324      0.00000

 k-point   106 :       0.2778    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.5212      2.00000
      2     -23.0418      2.00000
      3     -21.7137      2.00000
      4     -20.5372      2.00000
      5     -16.6813      2.00000
      6     -15.3751      2.00000
      7     -14.2175      2.00000
      8     -12.7055      2.00000
      9     -12.1940      2.00000
     10     -12.0451      2.00000
     11     -11.1609      2.00000
     12      -9.7373      2.00000
     13      -9.4220      2.00000
     14      -9.2824      2.00000
     15      -8.6346      2.00000
     16      -8.1625      2.00000
     17      -5.3726      2.00000
     18      -4.9311      2.00000
     19      -4.7100      2.00000
     20      -4.2676      2.00000
     21       1.7129      0.00000
     22       1.7156      0.00000
     23       2.9141      0.00000
     24       2.9637      0.00000
     25       3.1081      0.00000
     26       3.2720      0.00000
     27       3.2962      0.00000
     28       3.7337      0.00000

 k-point   107 :       0.3333    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.2950      2.00000
      2     -22.8293      2.00000
      3     -22.1694      2.00000
      4     -20.9143      2.00000
      5     -16.4951      2.00000
      6     -14.9812      2.00000
      7     -14.6139      2.00000
      8     -12.7875      2.00000
      9     -11.9743      2.00000
     10     -11.5811      2.00000
     11     -10.9096      2.00000
     12      -9.6960      2.00000
     13      -9.5228      2.00000
     14      -9.2274      2.00000
     15      -8.6594      2.00000
     16      -8.4125      2.00000
     17      -5.3464      2.00000
     18      -5.0995      2.00000
     19      -4.9021      2.00000
     20      -4.4536      2.00000
     21       1.9492      0.00000
     22       1.9622      0.00000
     23       2.8544      0.00000
     24       3.1876      0.00000
     25       3.3856      0.00000
     26       3.5454      0.00000
     27       3.5838      0.00000
     28       3.9093      0.00000

 k-point   108 :       0.3889    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.0295      2.00000
      2     -22.6038      2.00000
      3     -22.5814      2.00000
      4     -21.2887      2.00000
      5     -16.2661      2.00000
      6     -14.9970      2.00000
      7     -14.6032      2.00000
      8     -13.1265      2.00000
      9     -11.4637      2.00000
     10     -11.1991      2.00000
     11     -10.6596      2.00000
     12      -9.7592      2.00000
     13      -9.5935      2.00000
     14      -9.1639      2.00000
     15      -8.7686      2.00000
     16      -8.6612      2.00000
     17      -5.2823      2.00000
     18      -5.2334      2.00000
     19      -5.0870      2.00000
     20      -4.6483      2.00000
     21       2.2364      0.00000
     22       2.2493      0.00000
     23       2.8995      0.00000
     24       3.4182      0.00000
     25       3.6814      0.00000
     26       3.8034      0.00000
     27       3.9243      0.00000
     28       3.9597      0.00000

 k-point   109 :       0.4444    0.3529    0.0000
  band No.  band energies     occupation 
      1     -23.7258      2.00000
      2     -23.0105      2.00000
      3     -22.3001      2.00000
      4     -21.6491      2.00000
      5     -15.9979      2.00000
      6     -15.3589      2.00000
      7     -14.2329      2.00000
      8     -13.4936      2.00000
      9     -10.9208      2.00000
     10     -10.9001      2.00000
     11     -10.5606      2.00000
     12     -10.0014      2.00000
     13      -9.5039      2.00000
     14      -9.0817      2.00000
     15      -8.9734      2.00000
     16      -8.8514      2.00000
     17      -5.3094      2.00000
     18      -5.2316      2.00000
     19      -5.1737      2.00000
     20      -4.8433      2.00000
     21       2.5675      0.00000
     22       2.5717      0.00000
     23       3.0144      0.00000
     24       3.2915      0.00000
     25       3.6305      0.00000
     26       3.9314      0.00000
     27       4.0448      0.00000
     28       4.1184      0.00000

 k-point   110 :       0.5000    0.3529    0.0000
  band No.  band energies     occupation 
      1     -23.3859      2.00000
      2     -23.3851      2.00000
      3     -21.9882      2.00000
      4     -21.9879      2.00000
      5     -15.6945      2.00000
      6     -15.6939      2.00000
      7     -13.8644      2.00000
      8     -13.8633      2.00000
      9     -10.6738      2.00000
     10     -10.6723      2.00000
     11     -10.4126      2.00000
     12     -10.4115      2.00000
     13      -9.2488      2.00000
     14      -9.2471      2.00000
     15      -8.9815      2.00000
     16      -8.9804      2.00000
     17      -5.3115      2.00000
     18      -5.3084      2.00000
     19      -5.0244      2.00000
     20      -5.0230      2.00000
     21       2.8885      0.00000
     22       2.8903      0.00000
     23       2.9379      0.00000
     24       2.9384      0.00000
     25       3.6817      0.00000
     26       3.6822      0.00000
     27       4.1978      0.00000
     28       4.1994      0.00000

 k-point   111 :      -0.4444    0.3529    0.0000
  band No.  band energies     occupation 
      1     -23.7258      2.00000
      2     -23.0105      2.00000
      3     -22.3001      2.00000
      4     -21.6491      2.00000
      5     -15.9976      2.00000
      6     -15.3593      2.00000
      7     -14.2328      2.00000
      8     -13.4938      2.00000
      9     -10.9208      2.00000
     10     -10.9007      2.00000
     11     -10.5599      2.00000
     12     -10.0011      2.00000
     13      -9.5027      2.00000
     14      -9.0811      2.00000
     15      -8.9745      2.00000
     16      -8.8522      2.00000
     17      -5.3076      2.00000
     18      -5.2333      2.00000
     19      -5.1751      2.00000
     20      -4.8421      2.00000
     21       2.5674      0.00000
     22       2.5717      0.00000
     23       3.0142      0.00000
     24       3.2917      0.00000
     25       3.6304      0.00000
     26       3.9315      0.00000
     27       4.0451      0.00000
     28       4.1176      0.00000

 k-point   112 :      -0.3889    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.0295      2.00000
      2     -22.6038      2.00000
      3     -22.5814      2.00000
      4     -21.2887      2.00000
      5     -16.2658      2.00000
      6     -14.9974      2.00000
      7     -14.6031      2.00000
      8     -13.1268      2.00000
      9     -11.4636      2.00000
     10     -11.1999      2.00000
     11     -10.6582      2.00000
     12      -9.7587      2.00000
     13      -9.5928      2.00000
     14      -9.1638      2.00000
     15      -8.7695      2.00000
     16      -8.6619      2.00000
     17      -5.2837      2.00000
     18      -5.2317      2.00000
     19      -5.0885      2.00000
     20      -4.6472      2.00000
     21       2.2364      0.00000
     22       2.2491      0.00000
     23       2.8992      0.00000
     24       3.4183      0.00000
     25       3.6811      0.00000
     26       3.8032      0.00000
     27       3.9244      0.00000
     28       3.9594      0.00000

 k-point   113 :      -0.3333    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.2950      2.00000
      2     -22.8293      2.00000
      3     -22.1694      2.00000
      4     -20.9144      2.00000
      5     -16.4948      2.00000
      6     -14.9811      2.00000
      7     -14.6144      2.00000
      8     -12.7880      2.00000
      9     -11.9741      2.00000
     10     -11.5821      2.00000
     11     -10.9077      2.00000
     12      -9.6951      2.00000
     13      -9.5227      2.00000
     14      -9.2277      2.00000
     15      -8.6600      2.00000
     16      -8.4130      2.00000
     17      -5.3479      2.00000
     18      -5.0979      2.00000
     19      -4.9034      2.00000
     20      -4.4525      2.00000
     21       1.9492      0.00000
     22       1.9619      0.00000
     23       2.8541      0.00000
     24       3.1878      0.00000
     25       3.3852      0.00000
     26       3.5443      0.00000
     27       3.5838      0.00000
     28       3.9101      0.00000

 k-point   114 :      -0.2778    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.5212      2.00000
      2     -23.0418      2.00000
      3     -21.7137      2.00000
      4     -20.5372      2.00000
      5     -16.6810      2.00000
      6     -15.3751      2.00000
      7     -14.2181      2.00000
      8     -12.7060      2.00000
      9     -12.1937      2.00000
     10     -12.0460      2.00000
     11     -11.1588      2.00000
     12      -9.7361      2.00000
     13      -9.4223      2.00000
     14      -9.2832      2.00000
     15      -8.6347      2.00000
     16      -8.1629      2.00000
     17      -5.3740      2.00000
     18      -4.9297      2.00000
     19      -4.7110      2.00000
     20      -4.2667      2.00000
     21       1.7126      0.00000
     22       1.7157      0.00000
     23       2.9138      0.00000
     24       2.9640      0.00000
     25       3.1081      0.00000
     26       3.2720      0.00000
     27       3.2950      0.00000
     28       3.7338      0.00000

 k-point   115 :      -0.2222    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.7072      2.00000
      2     -23.2173      2.00000
      3     -21.2467      2.00000
      4     -20.1732      2.00000
      5     -16.8208      2.00000
      6     -15.7896      2.00000
      7     -13.8193      2.00000
      8     -13.0438      2.00000
      9     -12.5455      2.00000
     10     -11.9407      2.00000
     11     -11.3699      2.00000
     12      -9.8128      2.00000
     13      -9.3714      2.00000
     14      -9.3380      2.00000
     15      -8.6547      2.00000
     16      -7.9576      2.00000
     17      -5.3714      2.00000
     18      -4.7525      2.00000
     19      -4.5385      2.00000
     20      -4.0957      2.00000
     21       1.5075      0.00000
     22       1.5319      0.00000
     23       2.7693      0.00000
     24       2.9255      0.00000
     25       2.9843      0.00000
     26       3.0288      0.00000
     27       3.1178      0.00000
     28       3.5321      0.00000

 k-point   116 :      -0.1667    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.8526      2.00000
      2     -23.3548      2.00000
      3     -20.7862      2.00000
      4     -19.8443      2.00000
      5     -16.9119      2.00000
      6     -16.2157      2.00000
      7     -13.4350      2.00000
      8     -13.3672      2.00000
      9     -13.0238      2.00000
     10     -11.6456      2.00000
     11     -11.5458      2.00000
     12      -9.8916      2.00000
     13      -9.4057      2.00000
     14      -9.3894      2.00000
     15      -8.6731      2.00000
     16      -7.8152      2.00000
     17      -5.3487      2.00000
     18      -4.5924      2.00000
     19      -4.3975      2.00000
     20      -3.9470      2.00000
     21       1.3499      0.00000
     22       1.3912      0.00000
     23       2.5911      0.00000
     24       2.8042      0.00000
     25       2.8129      0.00000
     26       2.9962      0.00000
     27       3.0541      0.00000
     28       3.3759      0.00000

 k-point   117 :      -0.1111    0.3529    0.0000
  band No.  band energies     occupation 
      1     -24.9566      2.00000
      2     -23.4535      2.00000
      3     -20.3651      2.00000
      4     -19.5786      2.00000
      5     -16.9568      2.00000
      6     -16.6203      2.00000
      7     -13.6021      2.00000
      8     -13.4329      2.00000
      9     -13.0847      2.00000
     10     -11.6948      2.00000
     11     -11.3974      2.00000
     12      -9.9572      2.00000
     13      -9.5050      2.00000
     14      -9.4314      2.00000
     15      -8.6727      2.00000
     16      -7.7335      2.00000
     17      -5.3166      2.00000
     18      -4.4716      2.00000
     19      -4.2887      2.00000
     20      -3.8305      2.00000
     21       1.2398      0.00000
     22       1.2898      0.00000
     23       2.4561      0.00000
     24       2.6709      0.00000
     25       2.7038      0.00000
     26       2.9067      0.00000
     27       3.0554      0.00000
     28       3.2893      0.00000

 k-point   118 :      -0.0556    0.3529    0.0000
  band No.  band energies     occupation 
      1     -25.0192      2.00000
      2     -23.5129      2.00000
      3     -20.0456      2.00000
      4     -19.4048      2.00000
      5     -16.9684      2.00000
      6     -16.9346      2.00000
      7     -13.7415      2.00000
      8     -13.7090      2.00000
      9     -12.8212      2.00000
     10     -11.8136      2.00000
     11     -11.2306      2.00000
     12     -10.0011      2.00000
     13      -9.6060      2.00000
     14      -9.4586      2.00000
     15      -8.6652      2.00000
     16      -7.6972      2.00000
     17      -5.2889      2.00000
     18      -4.4006      2.00000
     19      -4.2157      2.00000
     20      -3.7560      2.00000
     21       1.1753      0.00000
     22       1.2281      0.00000
     23       2.3736      0.00000
     24       2.5851      0.00000
     25       2.6392      0.00000
     26       2.8184      0.00000
     27       3.0433      0.00000
     28       3.2614      0.00000

 k-point   119 :       0.0000    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.8009      2.00000
      2     -23.8917      2.00000
      3     -19.7635      2.00000
      4     -19.3672      2.00000
      5     -17.0336      2.00000
      6     -17.0234      2.00000
      7     -13.9457      2.00000
      8     -13.9395      2.00000
      9     -12.3329      2.00000
     10     -11.4816      2.00000
     11     -11.3843      2.00000
     12     -10.3026      2.00000
     13      -9.5433      2.00000
     14      -9.5152      2.00000
     15      -8.4278      2.00000
     16      -7.7996      2.00000
     17      -5.1820      2.00000
     18      -4.5944      2.00000
     19      -4.1860      2.00000
     20      -3.8838      2.00000
     21       1.4117      0.00000
     22       1.4864      0.00000
     23       2.4998      0.00000
     24       2.6414      0.00000
     25       2.7446      0.00000
     26       2.9294      0.00000
     27       3.1632      0.00000
     28       3.4235      0.00000

 k-point   120 :       0.0556    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.7801      2.00000
      2     -23.8715      2.00000
      3     -19.8832      2.00000
      4     -19.4499      2.00000
      5     -16.9916      2.00000
      6     -16.9259      2.00000
      7     -13.8826      2.00000
      8     -13.8534      2.00000
      9     -12.4375      2.00000
     10     -11.4612      2.00000
     11     -11.4305      2.00000
     12     -10.2715      2.00000
     13      -9.5128      2.00000
     14      -9.5021      2.00000
     15      -8.4239      2.00000
     16      -7.8025      2.00000
     17      -5.1980      2.00000
     18      -4.6190      2.00000
     19      -4.2104      2.00000
     20      -3.9100      2.00000
     21       1.4337      0.00000
     22       1.5076      0.00000
     23       2.5198      0.00000
     24       2.6673      0.00000
     25       2.7717      0.00000
     26       2.9566      0.00000
     27       3.1761      0.00000
     28       3.4220      0.00000

 k-point   121 :       0.1111    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.7179      2.00000
      2     -23.8112      2.00000
      3     -20.1913      2.00000
      4     -19.6764      2.00000
      5     -16.9040      2.00000
      6     -16.6557      2.00000
      7     -13.7114      2.00000
      8     -13.5922      2.00000
      9     -12.6965      2.00000
     10     -11.6665      2.00000
     11     -11.3160      2.00000
     12     -10.1949      2.00000
     13      -9.4656      2.00000
     14      -9.4381      2.00000
     15      -8.4150      2.00000
     16      -7.8209      2.00000
     17      -5.2414      2.00000
     18      -4.6908      2.00000
     19      -4.2804      2.00000
     20      -3.9855      2.00000
     21       1.5004      0.00000
     22       1.5702      0.00000
     23       2.5784      0.00000
     24       2.7354      0.00000
     25       2.8522      0.00000
     26       3.0374      0.00000
     27       3.1886      0.00000
     28       3.4110      0.00000

 k-point   122 :       0.1667    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.6145      2.00000
      2     -23.7109      2.00000
      3     -20.6002      2.00000
      4     -20.0009      2.00000
      5     -16.7745      2.00000
      6     -16.3129      2.00000
      7     -13.4290      2.00000
      8     -13.2168      2.00000
      9     -13.0179      2.00000
     10     -11.9530      2.00000
     11     -11.1777      2.00000
     12     -10.0980      2.00000
     13      -9.4104      2.00000
     14      -9.3588      2.00000
     15      -8.4102      2.00000
     16      -7.8771      2.00000
     17      -5.2997      2.00000
     18      -4.8047      2.00000
     19      -4.3884      2.00000
     20      -4.1028      2.00000
     21       1.6134      0.00000
     22       1.6716      0.00000
     23       2.6698      0.00000
     24       2.8130      0.00000
     25       2.9771      0.00000
     26       3.1587      0.00000
     27       3.1702      0.00000
     28       3.4802      0.00000

 k-point   123 :       0.2222    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.4701      2.00000
      2     -23.5710      2.00000
      3     -21.0501      2.00000
      4     -20.3802      2.00000
      5     -16.6111      2.00000
      6     -15.9550      2.00000
      7     -13.4330      2.00000
      8     -13.0563      2.00000
      9     -12.6967      2.00000
     10     -12.2730      2.00000
     11     -11.0235      2.00000
     12      -9.9952      2.00000
     13      -9.3438      2.00000
     14      -9.3109      2.00000
     15      -8.4241      2.00000
     16      -7.9930      2.00000
     17      -5.3584      2.00000
     18      -4.9492      2.00000
     19      -4.5289      2.00000
     20      -4.2519      2.00000
     21       1.7738      0.00000
     22       1.8091      0.00000
     23       2.7766      0.00000
     24       2.8394      0.00000
     25       3.0854      0.00000
     26       3.2387      0.00000
     27       3.3527      0.00000
     28       3.5928      0.00000

 k-point   124 :       0.2778    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.2853      2.00000
      2     -23.3923      2.00000
      3     -21.5084      2.00000
      4     -20.7832      2.00000
      5     -16.4160      2.00000
      6     -15.6040      2.00000
      7     -13.8272      2.00000
      8     -12.8175      2.00000
      9     -12.3982      2.00000
     10     -12.1650      2.00000
     11     -10.8533      2.00000
     12      -9.8979      2.00000
     13      -9.3145      2.00000
     14      -9.2737      2.00000
     15      -8.4749      2.00000
     16      -8.1786      2.00000
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     25       3.2179      0.00000
     26       3.4732      0.00000
     27       3.5767      0.00000
     28       3.7154      0.00000

 k-point   125 :       0.3333    0.4118    0.0000
  band No.  band energies     occupation 
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     25       3.4228      0.00000
     26       3.7735      0.00000
     27       3.8015      0.00000
     28       3.9643      0.00000

 k-point   126 :       0.3889    0.4118    0.0000
  band No.  band energies     occupation 
      1     -23.7973      2.00000
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     18      -5.3511      2.00000
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     21       2.4817      0.00000
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     24       3.3387      0.00000
     25       3.6112      0.00000
     26       3.9116      0.00000
     27       4.0807      0.00000
     28       4.2896      0.00000

 k-point   127 :       0.4444    0.4118    0.0000
  band No.  band energies     occupation 
      1     -23.4961      2.00000
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     11     -10.3911      2.00000
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     17      -5.3919      2.00000
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     20      -5.0086      2.00000
     21       2.8101      0.00000
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     23       3.1590      0.00000
     24       3.4569      0.00000
     25       3.7391      0.00000
     26       3.7511      0.00000
     27       4.1173      0.00000
     28       4.1824      0.00000

 k-point   128 :       0.5000    0.4118    0.0000
  band No.  band energies     occupation 
      1     -23.1592      2.00000
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     10     -10.4646      2.00000
     11     -10.3408      2.00000
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     13      -9.2579      2.00000
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     15      -9.0362      2.00000
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     17      -5.3578      2.00000
     18      -5.3551      2.00000
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     21       3.1399      0.00000
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     23       3.1638      0.00000
     24       3.1641      0.00000
     25       3.7608      0.00000
     26       3.7613      0.00000
     27       4.0400      0.00000
     28       4.0425      0.00000

 k-point   129 :      -0.4444    0.4118    0.0000
  band No.  band energies     occupation 
      1     -23.4961      2.00000
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     10     -10.7244      2.00000
     11     -10.3896      2.00000
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     17      -5.3902      2.00000
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     21       2.8102      0.00000
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     23       3.1587      0.00000
     24       3.4570      0.00000
     25       3.7387      0.00000
     26       3.7510      0.00000
     27       4.1177      0.00000
     28       4.1823      0.00000

 k-point   130 :      -0.3889    0.4118    0.0000
  band No.  band energies     occupation 
      1     -23.7973      2.00000
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     17      -5.3972      2.00000
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     25       3.6109      0.00000
     26       3.9115      0.00000
     27       4.0810      0.00000
     28       4.2895      0.00000

 k-point   131 :      -0.3333    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.0607      2.00000
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     25       3.4223      0.00000
     26       3.7736      0.00000
     27       3.8016      0.00000
     28       3.9642      0.00000

 k-point   132 :      -0.2778    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.2853      2.00000
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     11     -10.8517      2.00000
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     21       1.9799      0.00000
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     25       3.2173      0.00000
     26       3.4732      0.00000
     27       3.5768      0.00000
     28       3.7167      0.00000

 k-point   133 :      -0.2222    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.4701      2.00000
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     21       1.7735      0.00000
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     25       3.0849      0.00000
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     27       3.3527      0.00000
     28       3.5932      0.00000

 k-point   134 :      -0.1667    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.6145      2.00000
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     25       2.9770      0.00000
     26       3.1583      0.00000
     27       3.1701      0.00000
     28       3.4808      0.00000

 k-point   135 :      -0.1111    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.7179      2.00000
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     20      -3.9851      2.00000
     21       1.5002      0.00000
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     25       2.8522      0.00000
     26       3.0374      0.00000
     27       3.1883      0.00000
     28       3.4112      0.00000

 k-point   136 :      -0.0556    0.4118    0.0000
  band No.  band energies     occupation 
      1     -24.7801      2.00000
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     21       1.4336      0.00000
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     27       3.1761      0.00000
     28       3.4218      0.00000

 k-point   137 :       0.0000    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.5284      2.00000
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     20      -4.0216      2.00000
     21       1.6772      0.00000
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     25       3.1455      0.00000
     26       3.3267      0.00000
     27       3.4401      0.00000
     28       3.5766      0.00000

 k-point   138 :       0.0556    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.5078      2.00000
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     10     -11.7478      2.00000
     11     -11.0280      2.00000
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     17      -5.0444      2.00000
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     20      -4.0475      2.00000
     21       1.7001      0.00000
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     25       3.1726      0.00000
     26       3.3528      0.00000
     27       3.4353      0.00000
     28       3.5830      0.00000

 k-point   139 :       0.1111    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.4461      2.00000
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     10     -11.9801      2.00000
     11     -10.9193      2.00000
     12     -10.5336      2.00000
     13      -9.4452      2.00000
     14      -9.4251      2.00000
     15      -8.1727      2.00000
     16      -7.9692      2.00000
     17      -5.1011      2.00000
     18      -4.9101      2.00000
     19      -4.2238      2.00000
     20      -4.1219      2.00000
     21       1.7691      0.00000
     22       1.8348      0.00000
     23       2.3570      0.00000
     24       2.4594      0.00000
     25       3.2477      0.00000
     26       3.3834      0.00000
     27       3.4194      0.00000
     28       3.5231      0.00000

 k-point   140 :       0.1667    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.3435      2.00000
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      3     -20.3995      2.00000
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     10     -12.2914      2.00000
     11     -10.7897      2.00000
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     13      -9.3812      2.00000
     14      -9.3547      2.00000
     15      -8.1801      2.00000
     16      -7.9989      2.00000
     17      -5.1832      2.00000
     18      -5.0111      2.00000
     19      -4.3350      2.00000
     20      -4.2371      2.00000
     21       1.8851      0.00000
     22       1.9443      0.00000
     23       2.4425      0.00000
     24       2.5372      0.00000
     25       3.2375      0.00000
     26       3.3775      0.00000
     27       3.4200      0.00000
     28       3.5969      0.00000

 k-point   141 :       0.2222    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.2003      2.00000
      2     -23.8998      2.00000
      3     -20.8343      2.00000
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     10     -12.6103      2.00000
     11     -10.6502      2.00000
     12     -10.2931      2.00000
     13      -9.3131      2.00000
     14      -9.2939      2.00000
     15      -8.2288      2.00000
     16      -8.0825      2.00000
     17      -5.2765      2.00000
     18      -5.1336      2.00000
     19      -4.4781      2.00000
     20      -4.3838      2.00000
     21       2.0482      0.00000
     22       2.0906      0.00000
     23       2.5470      0.00000
     24       2.6051      0.00000
     25       3.1742      0.00000
     26       3.3076      0.00000
     27       3.6109      0.00000
     28       3.7880      0.00000

 k-point   142 :       0.2778    0.4706    0.0000
  band No.  band energies     occupation 
      1     -24.0171      2.00000
      2     -23.7185      2.00000
      3     -21.2804      2.00000
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      5     -16.1378      2.00000
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     10     -12.3000      2.00000
     11     -10.5041      2.00000
     12     -10.1703      2.00000
     13      -9.2589      2.00000
     14      -9.2522      2.00000
     15      -8.3377      2.00000
     16      -8.2360      2.00000
     17      -5.3649      2.00000
     18      -5.2602      2.00000
     19      -4.6482      2.00000
     20      -4.5553      2.00000
     21       2.2563      0.00000
     22       2.2661      0.00000
     23       2.6511      0.00000
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     25       3.2279      0.00000
     26       3.3605      0.00000
     27       3.8633      0.00000
     28       4.0395      0.00000

 k-point   143 :       0.3333    0.4706    0.0000
  band No.  band energies     occupation 
      1     -23.7945      2.00000
      2     -23.4986      2.00000
      3     -21.7194      2.00000
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      9     -11.8554      2.00000
     10     -11.7390      2.00000
     11     -10.3592      2.00000
     12     -10.0606      2.00000
     13      -9.2568      2.00000
     14      -9.2089      2.00000
     15      -8.5138      2.00000
     16      -8.4591      2.00000
     17      -5.4290      2.00000
     18      -5.3678      2.00000
     19      -4.8393      2.00000
     20      -4.7459      2.00000
     21       2.4739      0.00000
     22       2.5020      0.00000
     23       2.7408      0.00000
     24       2.8521      0.00000
     25       3.3943      0.00000
     26       3.5234      0.00000
     27       4.1660      0.00000
     28       4.3455      0.00000

 k-point   144 :       0.3889    0.4706    0.0000
  band No.  band energies     occupation 
      1     -23.5337      2.00000
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 k-point   145 :       0.4444    0.4706    0.0000
  band No.  band energies     occupation 
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     25       3.6629      0.00000
     26       3.7520      0.00000
     27       4.1165      0.00000
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 k-point   146 :       0.5000    0.4706    0.0000
  band No.  band energies     occupation 
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     21       3.3931      0.00000
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     25       3.7259      0.00000
     26       3.7267      0.00000
     27       3.7950      0.00000
     28       3.7975      0.00000

 k-point   147 :      -0.4444    0.4706    0.0000
  band No.  band energies     occupation 
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     21       3.0623      0.00000
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     25       3.6632      0.00000
     26       3.7518      0.00000
     27       4.1166      0.00000
     28       4.1461      0.00000

 k-point   148 :      -0.3889    0.4706    0.0000
  band No.  band energies     occupation 
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     23       2.9415      0.00000
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     25       3.5934      0.00000
     26       3.7063      0.00000
     27       4.4041      0.00000
     28       4.5544      0.00000

 k-point   149 :      -0.3333    0.4706    0.0000
  band No.  band energies     occupation 
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     25       3.3944      0.00000
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     27       4.1661      0.00000
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 k-point   150 :      -0.2778    0.4706    0.0000
  band No.  band energies     occupation 
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     27       3.8633      0.00000
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 k-point   151 :      -0.2222    0.4706    0.0000
  band No.  band energies     occupation 
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     27       3.6109      0.00000
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 k-point   152 :      -0.1667    0.4706    0.0000
  band No.  band energies     occupation 
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     27       3.4200      0.00000
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 k-point   153 :      -0.1111    0.4706    0.0000
  band No.  band energies     occupation 
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 k-point   154 :      -0.0556    0.4706    0.0000
  band No.  band energies     occupation 
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 k-point   155 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
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 k-point   156 :       0.0556    0.0000    0.3333
  band No.  band energies     occupation 
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 k-point   157 :       0.1111    0.0000    0.3333
  band No.  band energies     occupation 
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     25       2.0493      0.00000
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     27       2.7212      0.00000
     28       2.8679      0.00000

 k-point   158 :       0.1667    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5260      2.00000
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     10     -11.4408      2.00000
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     14      -9.6237      2.00000
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     20      -3.3318      2.00000
     21       0.6504      0.00000
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     23       1.6274      0.00000
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     25       2.1840      0.00000
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     27       2.9684      0.00000
     28       3.0079      0.00000

 k-point   159 :       0.2222    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.3784      2.00000
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     10     -11.0460      2.00000
     11     -10.7703      2.00000
     12     -10.1942      2.00000
     13     -10.0292      2.00000
     14      -9.7992      2.00000
     15      -9.0313      2.00000
     16      -8.1017      2.00000
     17      -4.9051      2.00000
     18      -4.4146      2.00000
     19      -4.2344      2.00000
     20      -3.4512      2.00000
     21       0.7924      0.00000
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     23       1.8283      0.00000
     24       2.0501      0.00000
     25       2.3741      0.00000
     26       2.8166      0.00000
     27       3.1026      0.00000
     28       3.3609      0.00000

 k-point   160 :       0.2778    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.1893      2.00000
      2     -22.3124      2.00000
      3     -21.0161      2.00000
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     10     -10.7897      2.00000
     11     -10.6586      2.00000
     12     -10.3802      2.00000
     13      -9.8711      2.00000
     14      -9.6596      2.00000
     15      -9.2475      2.00000
     16      -8.2680      2.00000
     17      -4.7910      2.00000
     18      -4.6228      2.00000
     19      -4.4556      2.00000
     20      -3.5920      2.00000
     21       0.9840      0.00000
     22       1.1770      0.00000
     23       2.0869      0.00000
     24       2.3044      0.00000
     25       2.6192      0.00000
     26       3.0491      0.00000
     27       3.2407      0.00000
     28       3.5776      0.00000

 k-point   161 :       0.3333    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.9591      2.00000
      2     -22.7835      2.00000
      3     -20.8754      2.00000
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     10     -10.8408      2.00000
     11     -10.6083      2.00000
     12     -10.5822      2.00000
     13      -9.6921      2.00000
     14      -9.4075      2.00000
     15      -9.3368      2.00000
     16      -8.4483      2.00000
     17      -4.8329      2.00000
     18      -4.6741      2.00000
     19      -4.6562      2.00000
     20      -3.7447      2.00000
     21       1.2258      0.00000
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     23       2.4031      0.00000
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     25       2.9128      0.00000
     26       3.2589      0.00000
     27       3.3184      0.00000
     28       3.4024      0.00000

 k-point   162 :       0.3889    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.6888      2.00000
      2     -23.2306      2.00000
      3     -20.7287      2.00000
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     10     -11.0811      2.00000
     11     -10.8286      2.00000
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     13      -9.4378      2.00000
     14      -9.4000      2.00000
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     16      -8.6507      2.00000
     17      -5.0018      2.00000
     18      -4.8682      2.00000
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     20      -3.9002      2.00000
     21       1.5145      0.00000
     22       1.8023      0.00000
     23       2.7753      0.00000
     24       2.9319      0.00000
     25       2.9788      0.00000
     26       3.1532      0.00000
     27       3.3679      0.00000
     28       3.6134      0.00000

 k-point   163 :       0.4444    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.3791      2.00000
      2     -23.6479      2.00000
      3     -20.5892      2.00000
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     10     -11.3764      2.00000
     11     -10.9325      2.00000
     12     -10.7214      2.00000
     13      -9.3201      2.00000
     14      -9.1488      2.00000
     15      -8.9835      2.00000
     16      -8.8775      2.00000
     17      -5.0949      2.00000
     18      -5.0166      2.00000
     19      -4.3565      2.00000
     20      -4.0536      2.00000
     21       1.8411      0.00000
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     23       2.5514      0.00000
     24       3.0929      0.00000
     25       3.1098      0.00000
     26       3.2283      0.00000
     27       3.3636      0.00000
     28       3.4232      0.00000

 k-point   164 :       0.5000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.0320      2.00000
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     13      -9.1139      2.00000
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     15      -9.0015      2.00000
     16      -9.0002      2.00000
     17      -5.1003      2.00000
     18      -5.0955      2.00000
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     20      -4.2034      2.00000
     21       2.1903      0.00000
     22       2.1907      0.00000
     23       2.6306      0.00000
     24       2.6323      0.00000
     25       3.1518      0.00000
     26       3.1521      0.00000
     27       3.7065      0.00000
     28       3.7066      0.00000

 k-point   165 :      -0.4444    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.3791      2.00000
      2     -23.6479      2.00000
      3     -20.5892      2.00000
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     10     -11.3764      2.00000
     11     -10.9325      2.00000
     12     -10.7214      2.00000
     13      -9.3201      2.00000
     14      -9.1488      2.00000
     15      -8.9835      2.00000
     16      -8.8775      2.00000
     17      -5.0949      2.00000
     18      -5.0166      2.00000
     19      -4.3565      2.00000
     20      -4.0536      2.00000
     21       1.8411      0.00000
     22       2.1934      0.00000
     23       2.5514      0.00000
     24       3.0928      0.00000
     25       3.1098      0.00000
     26       3.2284      0.00000
     27       3.3636      0.00000
     28       3.4231      0.00000

 k-point   166 :      -0.3889    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.6888      2.00000
      2     -23.2306      2.00000
      3     -20.7287      2.00000
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     10     -11.0811      2.00000
     11     -10.8286      2.00000
     12     -10.6010      2.00000
     13      -9.4378      2.00000
     14      -9.4000      2.00000
     15      -9.1009      2.00000
     16      -8.6507      2.00000
     17      -5.0018      2.00000
     18      -4.8682      2.00000
     19      -4.5087      2.00000
     20      -3.9002      2.00000
     21       1.5145      0.00000
     22       1.8023      0.00000
     23       2.7752      0.00000
     24       2.9319      0.00000
     25       2.9789      0.00000
     26       3.1529      0.00000
     27       3.3681      0.00000
     28       3.6134      0.00000

 k-point   167 :      -0.3333    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.9591      2.00000
      2     -22.7835      2.00000
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     10     -10.8408      2.00000
     11     -10.6083      2.00000
     12     -10.5822      2.00000
     13      -9.6921      2.00000
     14      -9.4075      2.00000
     15      -9.3368      2.00000
     16      -8.4483      2.00000
     17      -4.8329      2.00000
     18      -4.6741      2.00000
     19      -4.6562      2.00000
     20      -3.7447      2.00000
     21       1.2258      0.00000
     22       1.4625      0.00000
     23       2.4031      0.00000
     24       2.6158      0.00000
     25       2.9127      0.00000
     26       3.2591      0.00000
     27       3.3184      0.00000
     28       3.4021      0.00000

 k-point   168 :      -0.2778    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.1893      2.00000
      2     -22.3124      2.00000
      3     -21.0161      2.00000
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     10     -10.7897      2.00000
     11     -10.6586      2.00000
     12     -10.3802      2.00000
     13      -9.8711      2.00000
     14      -9.6596      2.00000
     15      -9.2475      2.00000
     16      -8.2680      2.00000
     17      -4.7910      2.00000
     18      -4.6228      2.00000
     19      -4.4556      2.00000
     20      -3.5920      2.00000
     21       0.9840      0.00000
     22       1.1770      0.00000
     23       2.0869      0.00000
     24       2.3045      0.00000
     25       2.6191      0.00000
     26       3.0492      0.00000
     27       3.2406      0.00000
     28       3.5775      0.00000

 k-point   169 :      -0.2222    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.3784      2.00000
      2     -21.8271      2.00000
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     10     -11.0460      2.00000
     11     -10.7703      2.00000
     12     -10.1942      2.00000
     13     -10.0292      2.00000
     14      -9.7992      2.00000
     15      -9.0313      2.00000
     16      -8.1017      2.00000
     17      -4.9051      2.00000
     18      -4.4146      2.00000
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     20      -3.4512      2.00000
     21       0.7924      0.00000
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     23       1.8283      0.00000
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     25       2.3740      0.00000
     26       2.8166      0.00000
     27       3.1026      0.00000
     28       3.3609      0.00000

 k-point   170 :      -0.1667    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5260      2.00000
      2     -21.3452      2.00000
      3     -21.2436      2.00000
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     10     -11.4408      2.00000
     11     -10.8766      2.00000
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     13     -10.0620      2.00000
     14      -9.6237      2.00000
     15      -8.8158      2.00000
     16      -7.9481      2.00000
     17      -4.9935      2.00000
     18      -4.2440      2.00000
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     20      -3.3318      2.00000
     21       0.6504      0.00000
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     23       1.6274      0.00000
     24       1.8532      0.00000
     25       2.1840      0.00000
     26       2.6343      0.00000
     27       2.9683      0.00000
     28       3.0079      0.00000

 k-point   171 :      -0.1111    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.6317      2.00000
      2     -21.3195      2.00000
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      8     -13.3061      2.00000
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     10     -11.8273      2.00000
     11     -10.9596      2.00000
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     13      -9.9787      2.00000
     14      -9.4610      2.00000
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     17      -5.0545      2.00000
     18      -4.1278      2.00000
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     20      -3.2417      2.00000
     21       0.5543      0.00000
     22       0.6512      0.00000
     23       1.4841      0.00000
     24       1.7131      0.00000
     25       2.0493      0.00000
     26       2.5052      0.00000
     27       2.7212      0.00000
     28       2.8667      0.00000

 k-point   172 :      -0.0556    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.6953      2.00000
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     10     -12.1151      2.00000
     11     -11.0114      2.00000
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     14      -9.3520      2.00000
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     17      -5.0894      2.00000
     18      -4.0648      2.00000
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     20      -3.1860      2.00000
     21       0.4994      0.00000
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     23       1.3983      0.00000
     24       1.6294      0.00000
     25       1.9692      0.00000
     26       2.4284      0.00000
     27       2.5351      0.00000
     28       2.7662      0.00000

 k-point   173 :       0.0000    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6974      2.00000
      2     -21.5739      2.00000
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     10     -12.3068      2.00000
     11     -11.0122      2.00000
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     13      -9.9076      2.00000
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     21       0.4979      0.00000
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     24       1.6268      0.00000
     25       1.9671      0.00000
     26       2.4093      0.00000
     27       2.5061      0.00000
     28       2.6216      0.00000

 k-point   174 :       0.0556    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6762      2.00000
      2     -21.5575      2.00000
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     10     -12.2009      2.00000
     11     -10.9969      2.00000
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     20      -3.2038      2.00000
     21       0.5158      0.00000
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     25       1.9937      0.00000
     26       2.4365      0.00000
     27       2.5648      0.00000
     28       2.6772      0.00000

 k-point   175 :       0.1111    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6127      2.00000
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     10     -11.9180      2.00000
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     15      -8.6764      2.00000
     16      -7.8035      2.00000
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     19      -3.8790      2.00000
     20      -3.2605      2.00000
     21       0.5710      0.00000
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     23       1.5116      0.00000
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     25       2.0738      0.00000
     26       2.5149      0.00000
     27       2.7362      0.00000
     28       2.8160      0.00000

 k-point   176 :       0.1667    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.5071      2.00000
      2     -21.4291      2.00000
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     10     -11.5318      2.00000
     11     -10.8872      2.00000
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     13     -10.0435      2.00000
     14      -9.6005      2.00000
     15      -8.8418      2.00000
     16      -7.9344      2.00000
     17      -5.0170      2.00000
     18      -4.2497      2.00000
     19      -4.0413      2.00000
     20      -3.3522      2.00000
     21       0.6676      0.00000
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     23       1.6549      0.00000
     24       1.8780      0.00000
     25       2.2083      0.00000
     26       2.6439      0.00000
     27       2.9610      0.00000
     28       3.0087      0.00000

 k-point   177 :       0.2222    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.3595      2.00000
      2     -21.8104      2.00000
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     10     -11.1246      2.00000
     11     -10.8179      2.00000
     12     -10.1532      2.00000
     13      -9.9649      2.00000
     14      -9.7595      2.00000
     15      -9.0396      2.00000
     16      -8.0914      2.00000
     17      -4.9316      2.00000
     18      -4.4189      2.00000
     19      -4.2424      2.00000
     20      -3.4733      2.00000
     21       0.8103      0.00000
     22       0.9600      0.00000
     23       1.8558      0.00000
     24       2.0747      0.00000
     25       2.3982      0.00000
     26       2.8251      0.00000
     27       3.1114      0.00000
     28       3.3146      0.00000

 k-point   178 :       0.2778    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.1704      2.00000
      2     -22.2953      2.00000
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     10     -10.8283      2.00000
     11     -10.7918      2.00000
     12     -10.2654      2.00000
     13      -9.9085      2.00000
     14      -9.5619      2.00000
     15      -9.2408      2.00000
     16      -8.2621      2.00000
     17      -4.8204      2.00000
     18      -4.6253      2.00000
     19      -4.4622      2.00000
     20      -3.6160      2.00000
     21       1.0025      0.00000
     22       1.1882      0.00000
     23       2.1144      0.00000
     24       2.3286      0.00000
     25       2.6428      0.00000
     26       3.0552      0.00000
     27       3.2330      0.00000
     28       3.5864      0.00000

 k-point   179 :       0.3333    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.9404      2.00000
      2     -22.7660      2.00000
      3     -21.0318      2.00000
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     10     -10.8700      2.00000
     11     -10.8328      2.00000
     12     -10.3408      2.00000
     13      -9.7524      2.00000
     14      -9.3945      2.00000
     15      -9.2661      2.00000
     16      -8.4451      2.00000
     17      -4.8340      2.00000
     18      -4.6882      2.00000
     19      -4.6792      2.00000
     20      -3.7706      2.00000
     21       1.2449      0.00000
     22       1.4719      0.00000
     23       2.4305      0.00000
     24       2.6394      0.00000
     25       2.9326      0.00000
     26       3.1829      0.00000
     27       3.3645      0.00000
     28       3.4681      0.00000

 k-point   180 :       0.3889    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.6702      2.00000
      2     -23.2128      2.00000
      3     -20.8651      2.00000
      4     -20.3394      2.00000
      5     -17.2814      2.00000
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      8     -12.2212      2.00000
      9     -12.0655      2.00000
     10     -11.0559      2.00000
     11     -10.9920      2.00000
     12     -10.4433      2.00000
     13      -9.4549      2.00000
     14      -9.4231      2.00000
     15      -9.0561      2.00000
     16      -8.6472      2.00000
     17      -5.0022      2.00000
     18      -4.8725      2.00000
     19      -4.5420      2.00000
     20      -3.9282      2.00000
     21       1.5339      0.00000
     22       1.8098      0.00000
     23       2.8013      0.00000
     24       2.9005      0.00000
     25       3.0070      0.00000
     26       3.2029      0.00000
     27       3.3931      0.00000
     28       3.6032      0.00000

 k-point   181 :       0.4444    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.3607      2.00000
      2     -23.6298      2.00000
      3     -20.6972      2.00000
      4     -20.4191      2.00000
      5     -17.3026      2.00000
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      7     -13.0198      2.00000
      8     -12.1906      2.00000
      9     -11.9422      2.00000
     10     -11.3448      2.00000
     11     -10.9955      2.00000
     12     -10.6293      2.00000
     13      -9.3054      2.00000
     14      -9.1845      2.00000
     15      -8.9660      2.00000
     16      -8.8707      2.00000
     17      -5.0957      2.00000
     18      -5.0196      2.00000
     19      -4.3900      2.00000
     20      -4.0839      2.00000
     21       1.8603      0.00000
     22       2.1987      0.00000
     23       2.5595      0.00000
     24       3.1081      0.00000
     25       3.1131      0.00000
     26       3.2536      0.00000
     27       3.3868      0.00000
     28       3.4464      0.00000

 k-point   182 :       0.5000    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.0138      2.00000
      2     -24.0128      2.00000
      3     -20.5436      2.00000
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      5     -17.2197      2.00000
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      8     -12.5335      2.00000
      9     -11.6475      2.00000
     10     -11.6460      2.00000
     11     -10.8439      2.00000
     12     -10.8427      2.00000
     13      -9.1026      2.00000
     14      -9.1011      2.00000
     15      -9.0118      2.00000
     16      -9.0105      2.00000
     17      -5.1020      2.00000
     18      -5.0973      2.00000
     19      -4.2386      2.00000
     20      -4.2357      2.00000
     21       2.2077      0.00000
     22       2.2081      0.00000
     23       2.6331      0.00000
     24       2.6348      0.00000
     25       3.1692      0.00000
     26       3.1696      0.00000
     27       3.7338      0.00000
     28       3.7338      0.00000

 k-point   183 :      -0.4444    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.3607      2.00000
      2     -23.6298      2.00000
      3     -20.6972      2.00000
      4     -20.4191      2.00000
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     27       3.3866      0.00000
     28       3.4463      0.00000

 k-point   184 :      -0.3889    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.6702      2.00000
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     25       3.0071      0.00000
     26       3.2028      0.00000
     27       3.3937      0.00000
     28       3.6034      0.00000

 k-point   185 :      -0.3333    0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.9404      2.00000
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     21       1.2448      0.00000
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     23       2.4305      0.00000
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     25       2.9323      0.00000
     26       3.1824      0.00000
     27       3.3646      0.00000
     28       3.4687      0.00000

 k-point   186 :      -0.2778    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.1704      2.00000
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     11     -10.7923      2.00000
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     17      -4.8208      2.00000
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     21       1.0024      0.00000
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     23       2.1144      0.00000
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     25       2.6427      0.00000
     26       3.0553      0.00000
     27       3.2324      0.00000
     28       3.5861      0.00000

 k-point   187 :      -0.2222    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.3595      2.00000
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     21       0.8102      0.00000
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     23       1.8558      0.00000
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     25       2.3981      0.00000
     26       2.8251      0.00000
     27       3.1111      0.00000
     28       3.3146      0.00000

 k-point   188 :      -0.1667    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.5071      2.00000
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     10     -11.5312      2.00000
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     17      -5.0173      2.00000
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     21       0.6676      0.00000
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     23       1.6549      0.00000
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     25       2.2083      0.00000
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     27       2.9609      0.00000
     28       3.0090      0.00000

 k-point   189 :      -0.1111    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6127      2.00000
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     27       2.7363      0.00000
     28       2.8164      0.00000

 k-point   190 :      -0.0556    0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6762      2.00000
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     26       2.4365      0.00000
     27       2.5648      0.00000
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 k-point   191 :       0.0000    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6404      2.00000
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     11     -10.9761      2.00000
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     25       2.0403      0.00000
     26       2.4365      0.00000
     27       2.5815      0.00000
     28       2.6009      0.00000

 k-point   192 :       0.0556    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6192      2.00000
      2     -21.9240      2.00000
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     25       2.0667      0.00000
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     27       2.6364      0.00000
     28       2.6517      0.00000

 k-point   193 :       0.1111    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.5558      2.00000
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     25       2.1465      0.00000
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     27       2.7798      0.00000
     28       2.8021      0.00000

 k-point   194 :       0.1667    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.4502      2.00000
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     25       2.2805      0.00000
     26       2.6658      0.00000
     27       2.9677      0.00000
     28       3.0209      0.00000

 k-point   195 :       0.2222    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.3028      2.00000
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     18      -4.4321      2.00000
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     21       0.8650      0.00000
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     25       2.4694      0.00000
     26       2.8422      0.00000
     27       3.1320      0.00000
     28       3.2758      0.00000

 k-point   196 :       0.2778    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.1140      2.00000
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     10     -11.0250      2.00000
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     17      -4.9033      2.00000
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     20      -3.6861      2.00000
     21       1.0591      0.00000
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     23       2.1968      0.00000
     24       2.3999      0.00000
     25       2.7122      0.00000
     26       3.0648      0.00000
     27       3.2100      0.00000
     28       3.5412      0.00000

 k-point   197 :       0.3333    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.8843      2.00000
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     10     -11.1574      2.00000
     11     -10.8208      2.00000
     12     -10.1140      2.00000
     13      -9.8456      2.00000
     14      -9.3589      2.00000
     15      -9.1306      2.00000
     16      -8.4373      2.00000
     17      -4.8387      2.00000
     18      -4.7784      2.00000
     19      -4.6998      2.00000
     20      -3.8458      2.00000
     21       1.3030      0.00000
     22       1.4997      0.00000
     23       2.5127      0.00000
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     25       2.9790      0.00000
     26       3.1195      0.00000
     27       3.3691      0.00000
     28       3.6276      0.00000

 k-point   198 :       0.3889    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.6144      2.00000
      2     -23.1595      2.00000
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     10     -11.2147      2.00000
     11     -10.9850      2.00000
     12     -10.2285      2.00000
     13      -9.5636      2.00000
     14      -9.3818      2.00000
     15      -8.9733      2.00000
     16      -8.6388      2.00000
     17      -5.0059      2.00000
     18      -4.8892      2.00000
     19      -4.6373      2.00000
     20      -4.0091      2.00000
     21       1.5927      0.00000
     22       1.8317      0.00000
     23       2.8439      0.00000
     24       2.8964      0.00000
     25       3.0764      0.00000
     26       3.3086      0.00000
     27       3.4607      0.00000
     28       3.5728      0.00000

 k-point   199 :       0.4444    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.3054      2.00000
      2     -23.5757      2.00000
      3     -20.9438      2.00000
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      9     -11.8334      2.00000
     10     -11.2525      2.00000
     11     -11.0639      2.00000
     12     -10.4741      2.00000
     13      -9.2647      2.00000
     14      -9.2626      2.00000
     15      -8.9402      2.00000
     16      -8.8531      2.00000
     17      -5.1009      2.00000
     18      -5.0324      2.00000
     19      -4.4863      2.00000
     20      -4.1711      2.00000
     21       1.9186      0.00000
     22       2.2138      0.00000
     23       2.5885      0.00000
     24       3.1020      0.00000
     25       3.1691      0.00000
     26       3.3300      0.00000
     27       3.4557      0.00000
     28       3.5129      0.00000

 k-point   200 :       0.5000    0.1176    0.3333
  band No.  band energies     occupation 
      1     -23.9590      2.00000
      2     -23.9581      2.00000
      3     -20.7336      2.00000
      4     -20.7326      2.00000
      5     -17.0249      2.00000
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      7     -12.6912      2.00000
      8     -12.6888      2.00000
      9     -11.5448      2.00000
     10     -11.5434      2.00000
     11     -10.7808      2.00000
     12     -10.7796      2.00000
     13      -9.0718      2.00000
     14      -9.0703      2.00000
     15      -9.0419      2.00000
     16      -9.0405      2.00000
     17      -5.1106      2.00000
     18      -5.1061      2.00000
     19      -4.3315      2.00000
     20      -4.3289      2.00000
     21       2.2615      0.00000
     22       2.2620      0.00000
     23       2.6397      0.00000
     24       2.6413      0.00000
     25       3.2210      0.00000
     26       3.2217      0.00000
     27       3.8148      0.00000
     28       3.8149      0.00000

 k-point   201 :      -0.4444    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.3054      2.00000
      2     -23.5757      2.00000
      3     -20.9437      2.00000
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      5     -17.1832      2.00000
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      8     -12.3296      2.00000
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     10     -11.2527      2.00000
     11     -11.0636      2.00000
     12     -10.4739      2.00000
     13      -9.2644      2.00000
     14      -9.2614      2.00000
     15      -8.9413      2.00000
     16      -8.8536      2.00000
     17      -5.1012      2.00000
     18      -5.0321      2.00000
     19      -4.4870      2.00000
     20      -4.1704      2.00000
     21       1.9184      0.00000
     22       2.2138      0.00000
     23       2.5883      0.00000
     24       3.1021      0.00000
     25       3.1695      0.00000
     26       3.3300      0.00000
     27       3.4554      0.00000
     28       3.5126      0.00000

 k-point   202 :      -0.3889    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.6144      2.00000
      2     -23.1595      2.00000
      3     -21.1520      2.00000
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     10     -11.2144      2.00000
     11     -10.9852      2.00000
     12     -10.2278      2.00000
     13      -9.5624      2.00000
     14      -9.3817      2.00000
     15      -8.9743      2.00000
     16      -8.6393      2.00000
     17      -5.0061      2.00000
     18      -4.8889      2.00000
     19      -4.6381      2.00000
     20      -4.0084      2.00000
     21       1.5926      0.00000
     22       1.8316      0.00000
     23       2.8435      0.00000
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     25       3.0764      0.00000
     26       3.3084      0.00000
     27       3.4616      0.00000
     28       3.5730      0.00000

 k-point   203 :      -0.3333    0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.8843      2.00000
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     21       1.3028      0.00000
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     25       2.9785      0.00000
     26       3.1193      0.00000
     27       3.3690      0.00000
     28       3.6280      0.00000

 k-point   204 :      -0.2778    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.1140      2.00000
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     17      -4.9040      2.00000
     18      -4.6340      2.00000
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     20      -3.6856      2.00000
     21       1.0590      0.00000
     22       1.2213      0.00000
     23       2.1968      0.00000
     24       2.3999      0.00000
     25       2.7120      0.00000
     26       3.0647      0.00000
     27       3.2093      0.00000
     28       3.5413      0.00000

 k-point   205 :      -0.2222    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.3028      2.00000
      2     -21.7604      2.00000
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     10     -11.3057      2.00000
     11     -10.9434      2.00000
     12     -10.0573      2.00000
     13      -9.8391      2.00000
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     16      -8.0650      2.00000
     17      -5.0063      2.00000
     18      -4.4324      2.00000
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     20      -3.5379      2.00000
     21       0.8649      0.00000
     22       0.9981      0.00000
     23       1.9382      0.00000
     24       2.1476      0.00000
     25       2.4693      0.00000
     26       2.8422      0.00000
     27       3.1315      0.00000
     28       3.2761      0.00000

 k-point   206 :      -0.1667    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.4502      2.00000
      2     -21.7863      2.00000
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     10     -11.7291      2.00000
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     12     -10.0863      2.00000
     13      -9.9945      2.00000
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     16      -7.9010      2.00000
     17      -5.0824      2.00000
     18      -4.2674      2.00000
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     20      -3.4119      2.00000
     21       0.7204      0.00000
     22       0.8289      0.00000
     23       1.7374      0.00000
     24       1.9521      0.00000
     25       2.2804      0.00000
     26       2.6658      0.00000
     27       2.9675      0.00000
     28       3.0214      0.00000

 k-point   207 :      -0.1111    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.5558      2.00000
      2     -21.8720      2.00000
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     10     -12.1077      2.00000
     11     -10.9470      2.00000
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     15      -8.7815      2.00000
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     17      -5.1323      2.00000
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     19      -3.9156      2.00000
     20      -3.3162      2.00000
     21       0.6223      0.00000
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     23       1.5941      0.00000
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     25       2.1464      0.00000
     26       2.5398      0.00000
     27       2.7797      0.00000
     28       2.8028      0.00000

 k-point   208 :      -0.0556    0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6192      2.00000
      2     -21.9240      2.00000
      3     -20.4990      2.00000
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     10     -12.3742      2.00000
     11     -10.9678      2.00000
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     13      -9.8909      2.00000
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     15      -8.6912      2.00000
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     17      -5.1592      2.00000
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     21       0.5661      0.00000
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     23       1.5083      0.00000
     24       1.7300      0.00000
     25       2.0667      0.00000
     26       2.4628      0.00000
     27       2.6363      0.00000
     28       2.6522      0.00000

 k-point   209 :       0.0000    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5456      2.00000
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     10     -12.5664      2.00000
     11     -10.9495      2.00000
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     13      -9.8489      2.00000
     14      -9.1502      2.00000
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     23       1.6172      0.00000
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     25       2.1604      0.00000
     26       2.4892      0.00000
     27       2.6046      0.00000
     28       2.7443      0.00000

 k-point   210 :       0.0556    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5244      2.00000
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     10     -12.4881      2.00000
     11     -10.9523      2.00000
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     21       0.6537      0.00000
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     25       2.1867      0.00000
     26       2.5127      0.00000
     27       2.6606      0.00000
     28       2.7836      0.00000

 k-point   211 :       0.1111    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.4611      2.00000
      2     -22.2728      2.00000
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     10     -12.2673      2.00000
     11     -10.9681      2.00000
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     20      -3.4075      2.00000
     21       0.7115      0.00000
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     23       1.7317      0.00000
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     25       2.2656      0.00000
     26       2.5831      0.00000
     27       2.8125      0.00000
     28       2.8969      0.00000

 k-point   212 :       0.1667    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.3558      2.00000
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      3     -21.2004      2.00000
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     10     -11.9277      2.00000
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     12      -9.9346      2.00000
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     20      -3.5093      2.00000
     21       0.8121      0.00000
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     23       1.8749      0.00000
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     25       2.3978      0.00000
     26       2.7012      0.00000
     27       3.0059      0.00000
     28       3.0741      0.00000

 k-point   213 :       0.2222    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.2087      2.00000
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     10     -11.5113      2.00000
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     20      -3.6421      2.00000
     21       0.9595      0.00000
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     25       2.5838      0.00000
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     27       3.1547      0.00000
     28       3.2964      0.00000

 k-point   214 :       0.2778    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.0203      2.00000
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     17      -5.0237      2.00000
     18      -4.6501      2.00000
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     20      -3.7968      2.00000
     21       1.1564      0.00000
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     23       2.3340      0.00000
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     25       2.8212      0.00000
     26       3.0784      0.00000
     27       3.1771      0.00000
     28       3.5524      0.00000

 k-point   215 :       0.3333    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.7911      2.00000
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     10     -11.4476      2.00000
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     14      -9.3114      2.00000
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     17      -4.9122      2.00000
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     20      -3.9636      2.00000
     21       1.4023      0.00000
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     23       2.6491      0.00000
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     25       2.9831      0.00000
     26       3.1515      0.00000
     27       3.3819      0.00000
     28       3.7815      0.00000

 k-point   216 :       0.3889    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.5218      2.00000
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     10     -11.3912      2.00000
     11     -10.8839      2.00000
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     13      -9.6694      2.00000
     14      -9.3227      2.00000
     15      -8.8952      2.00000
     16      -8.6303      2.00000
     17      -5.0177      2.00000
     18      -4.9284      2.00000
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     20      -4.1348      2.00000
     21       1.6929      0.00000
     22       1.8699      0.00000
     23       2.8276      0.00000
     24       3.0259      0.00000
     25       3.1816      0.00000
     26       3.4340      0.00000
     27       3.5175      0.00000
     28       3.5703      0.00000

 k-point   217 :       0.4444    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.2136      2.00000
      2     -23.4860      2.00000
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     10     -11.1077      2.00000
     11     -11.0832      2.00000
     12     -10.3204      2.00000
     13      -9.3552      2.00000
     14      -9.2073      2.00000
     15      -8.9267      2.00000
     16      -8.8313      2.00000
     17      -5.1173      2.00000
     18      -5.0641      2.00000
     19      -4.6324      2.00000
     20      -4.3058      2.00000
     21       2.0177      0.00000
     22       2.2411      0.00000
     23       2.6469      0.00000
     24       3.0950      0.00000
     25       3.2518      0.00000
     26       3.4589      0.00000
     27       3.5659      0.00000
     28       3.6148      0.00000

 k-point   218 :       0.5000    0.1765    0.3333
  band No.  band energies     occupation 
      1     -23.8681      2.00000
      2     -23.8672      2.00000
      3     -21.0046      2.00000
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     10     -11.3791      2.00000
     11     -10.6948      2.00000
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     13      -9.0884      2.00000
     14      -9.0870      2.00000
     15      -9.0301      2.00000
     16      -9.0287      2.00000
     17      -5.1341      2.00000
     18      -5.1299      2.00000
     19      -4.4740      2.00000
     20      -4.4717      2.00000
     21       2.3548      0.00000
     22       2.3556      0.00000
     23       2.6533      0.00000
     24       2.6548      0.00000
     25       3.3059      0.00000
     26       3.3066      0.00000
     27       3.9447      0.00000
     28       3.9448      0.00000

 k-point   219 :      -0.4444    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.2136      2.00000
      2     -23.4860      2.00000
      3     -21.2567      2.00000
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     10     -11.1079      2.00000
     11     -11.0830      2.00000
     12     -10.3200      2.00000
     13      -9.3539      2.00000
     14      -9.2069      2.00000
     15      -8.9279      2.00000
     16      -8.8319      2.00000
     17      -5.1175      2.00000
     18      -5.0638      2.00000
     19      -4.6334      2.00000
     20      -4.3049      2.00000
     21       2.0175      0.00000
     22       2.2410      0.00000
     23       2.6467      0.00000
     24       3.0953      0.00000
     25       3.2523      0.00000
     26       3.4588      0.00000
     27       3.5658      0.00000
     28       3.6142      0.00000

 k-point   220 :      -0.3889    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.5218      2.00000
      2     -23.0710      2.00000
      3     -21.4945      2.00000
      4     -20.5006      2.00000
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     10     -11.3908      2.00000
     11     -10.8841      2.00000
     12     -10.0363      2.00000
     13      -9.6679      2.00000
     14      -9.3227      2.00000
     15      -8.8963      2.00000
     16      -8.6310      2.00000
     17      -5.0179      2.00000
     18      -4.9281      2.00000
     19      -4.7814      2.00000
     20      -4.1340      2.00000
     21       1.6927      0.00000
     22       1.8698      0.00000
     23       2.8273      0.00000
     24       3.0258      0.00000
     25       3.1816      0.00000
     26       3.4335      0.00000
     27       3.5185      0.00000
     28       3.5704      0.00000

 k-point   221 :      -0.3333    0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.7911      2.00000
      2     -22.6268      2.00000
      3     -21.7103      2.00000
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     10     -11.4475      2.00000
     11     -10.8356      2.00000
     12      -9.9208      2.00000
     13      -9.8812      2.00000
     14      -9.3118      2.00000
     15      -8.9910      2.00000
     16      -8.4288      2.00000
     17      -4.9132      2.00000
     18      -4.8508      2.00000
     19      -4.7450      2.00000
     20      -3.9629      2.00000
     21       1.4021      0.00000
     22       1.5475      0.00000
     23       2.6491      0.00000
     24       2.8184      0.00000
     25       2.9824      0.00000
     26       3.1515      0.00000
     27       3.3817      0.00000
     28       3.7800      0.00000

 k-point   222 :      -0.2778    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.0203      2.00000
      2     -22.1591      2.00000
      3     -21.8991      2.00000
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     25       2.8210      0.00000
     26       3.0783      0.00000
     27       3.1765      0.00000
     28       3.5528      0.00000

 k-point   223 :      -0.2222    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.2087      2.00000
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     20      -3.6415      2.00000
     21       0.9593      0.00000
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     23       2.0757      0.00000
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     25       2.5837      0.00000
     26       2.8691      0.00000
     27       3.1542      0.00000
     28       3.2970      0.00000

 k-point   224 :      -0.1667    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.3558      2.00000
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     15      -9.0093      2.00000
     16      -7.8603      2.00000
     17      -5.1725      2.00000
     18      -4.2966      2.00000
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     20      -3.5088      2.00000
     21       0.8120      0.00000
     22       0.9007      0.00000
     23       1.8749      0.00000
     24       2.0742      0.00000
     25       2.3977      0.00000
     26       2.7011      0.00000
     27       3.0058      0.00000
     28       3.0747      0.00000

 k-point   225 :      -0.1111    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.4611      2.00000
      2     -22.2728      2.00000
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     10     -12.2657      2.00000
     11     -10.9685      2.00000
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     14      -9.2725      2.00000
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     16      -7.7337      2.00000
     17      -5.2088      2.00000
     18      -4.1886      2.00000
     19      -3.9866      2.00000
     20      -3.4072      2.00000
     21       0.7114      0.00000
     22       0.7868      0.00000
     23       1.7317      0.00000
     24       1.9370      0.00000
     25       2.2655      0.00000
     26       2.5831      0.00000
     27       2.8127      0.00000
     28       2.8973      0.00000

 k-point   226 :      -0.0556    0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5244      2.00000
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     10     -12.4870      2.00000
     11     -10.9526      2.00000
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     13      -9.8613      2.00000
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     16      -7.6576      2.00000
     17      -5.2261      2.00000
     18      -4.1295      2.00000
     19      -3.8871      2.00000
     20      -3.3436      2.00000
     21       0.6537      0.00000
     22       0.7193      0.00000
     23       1.6458      0.00000
     24       1.8549      0.00000
     25       2.1866      0.00000
     26       2.5127      0.00000
     27       2.6608      0.00000
     28       2.7839      0.00000

 k-point   227 :       0.0000    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.4135      2.00000
      2     -22.7534      2.00000
      3     -20.1907      2.00000
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     10     -12.4664      2.00000
     11     -10.9598      2.00000
     12     -10.0889      2.00000
     13      -9.8414      2.00000
     14      -9.0736      2.00000
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     16      -7.6198      2.00000
     17      -5.2863      2.00000
     18      -4.1607      2.00000
     19      -3.9683      2.00000
     20      -3.4377      2.00000
     21       0.7631      0.00000
     22       0.8141      0.00000
     23       1.8100      0.00000
     24       2.0018      0.00000
     25       2.3248      0.00000
     26       2.5819      0.00000
     27       2.6755      0.00000
     28       2.9274      0.00000

 k-point   228 :       0.0556    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3924      2.00000
      2     -22.7345      2.00000
      3     -20.3215      2.00000
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     10     -12.4071      2.00000
     11     -10.9787      2.00000
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     20      -3.4611      2.00000
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     25       2.3506      0.00000
     26       2.6050      0.00000
     27       2.7279      0.00000
     28       2.9523      0.00000

 k-point   229 :       0.1111    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3293      2.00000
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     10     -12.2501      2.00000
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     20      -3.5293      2.00000
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     24       2.1092      0.00000
     25       2.4278      0.00000
     26       2.6732      0.00000
     27       2.8700      0.00000
     28       3.0192      0.00000

 k-point   230 :       0.1667    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.2242      2.00000
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     11     -11.1674      2.00000
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     17      -5.2632      2.00000
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     20      -3.6374      2.00000
     21       0.9463      0.00000
     22       1.0095      0.00000
     23       2.0674      0.00000
     24       2.2430      0.00000
     25       2.5560      0.00000
     26       2.7869      0.00000
     27       3.0469      0.00000
     28       3.1196      0.00000

 k-point   231 :       0.2222    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.0776      2.00000
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     10     -11.6600      2.00000
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     17      -5.2241      2.00000
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     20      -3.7773      2.00000
     21       1.0972      0.00000
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     23       2.2677      0.00000
     24       2.4301      0.00000
     25       2.7348      0.00000
     26       2.9493      0.00000
     27       3.1526      0.00000
     28       3.2675      0.00000

 k-point   232 :       0.2778    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.8897      2.00000
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     17      -5.1591      2.00000
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     20      -3.9391      2.00000
     21       1.2972      0.00000
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     23       2.5251      0.00000
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     25       2.9572      0.00000
     26       3.0852      0.00000
     27       3.1966      0.00000
     28       3.4722      0.00000

 k-point   233 :       0.3333    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.6613      2.00000
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     14      -9.2688      2.00000
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     16      -8.4199      2.00000
     17      -5.0678      2.00000
     18      -4.8740      2.00000
     19      -4.8237      2.00000
     20      -4.1135      2.00000
     21       1.5452      0.00000
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     23       2.8358      0.00000
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     25       2.9796      0.00000
     26       3.2677      0.00000
     27       3.4650      0.00000
     28       3.6802      0.00000

 k-point   234 :       0.3889    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.3929      2.00000
      2     -22.9482      2.00000
      3     -21.8580      2.00000
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     10     -11.4869      2.00000
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     14      -9.2580      2.00000
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     17      -5.0424      2.00000
     18      -4.9978      2.00000
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     20      -4.2934      2.00000
     21       1.8360      0.00000
     22       1.9363      0.00000
     23       2.8308      0.00000
     24       3.2116      0.00000
     25       3.3118      0.00000
     26       3.4905      0.00000
     27       3.6013      0.00000
     28       3.6814      0.00000

 k-point   235 :       0.4444    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.0858      2.00000
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     10     -11.0574      2.00000
     11     -10.9261      2.00000
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     14      -9.1471      2.00000
     15      -8.9297      2.00000
     16      -8.8159      2.00000
     17      -5.1503      2.00000
     18      -5.1221      2.00000
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     20      -4.4740      2.00000
     21       2.1593      0.00000
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     23       2.7399      0.00000
     24       3.1068      0.00000
     25       3.3576      0.00000
     26       3.6361      0.00000
     27       3.7039      0.00000
     28       3.7557      0.00000

 k-point   236 :       0.5000    0.2353    0.3333
  band No.  band energies     occupation 
      1     -23.7417      2.00000
      2     -23.7408      2.00000
      3     -21.3200      2.00000
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     10     -11.1647      2.00000
     11     -10.5991      2.00000
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     13      -9.1456      2.00000
     14      -9.1441      2.00000
     15      -8.9906      2.00000
     16      -8.9893      2.00000
     17      -5.1792      2.00000
     18      -5.1754      2.00000
     19      -4.6497      2.00000
     20      -4.6478      2.00000
     21       2.4906      0.00000
     22       2.4917      0.00000
     23       2.6903      0.00000
     24       2.6915      0.00000
     25       3.4193      0.00000
     26       3.4200      0.00000
     27       4.0783      0.00000
     28       4.0789      0.00000

 k-point   237 :      -0.4444    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.0858      2.00000
      2     -23.3612      2.00000
      3     -21.6002      2.00000
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     10     -11.0574      2.00000
     11     -10.9264      2.00000
     12     -10.1836      2.00000
     13      -9.4418      2.00000
     14      -9.1467      2.00000
     15      -8.9309      2.00000
     16      -8.8166      2.00000
     17      -5.1499      2.00000
     18      -5.1225      2.00000
     19      -4.8112      2.00000
     20      -4.4730      2.00000
     21       2.1591      0.00000
     22       2.2942      0.00000
     23       2.7397      0.00000
     24       3.1071      0.00000
     25       3.3580      0.00000
     26       3.6359      0.00000
     27       3.7039      0.00000
     28       3.7549      0.00000

 k-point   238 :      -0.3889    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.3930      2.00000
      2     -22.9482      2.00000
      3     -21.8580      2.00000
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     10     -11.4867      2.00000
     11     -10.7831      2.00000
     12      -9.8839      2.00000
     13      -9.7297      2.00000
     14      -9.2581      2.00000
     15      -8.8349      2.00000
     16      -8.6290      2.00000
     17      -5.0419      2.00000
     18      -4.9982      2.00000
     19      -4.9523      2.00000
     20      -4.2924      2.00000
     21       1.8357      0.00000
     22       1.9362      0.00000
     23       2.8306      0.00000
     24       3.2116      0.00000
     25       3.3117      0.00000
     26       3.4907      0.00000
     27       3.6012      0.00000
     28       3.6818      0.00000

 k-point   239 :      -0.3333    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.6613      2.00000
      2     -22.5063      2.00000
      3     -22.0883      2.00000
      4     -20.4298      2.00000
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      7     -14.5296      2.00000
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     10     -11.7161      2.00000
     11     -10.8955      2.00000
     12      -9.8246      2.00000
     13      -9.7727      2.00000
     14      -9.2695      2.00000
     15      -8.8627      2.00000
     16      -8.4206      2.00000
     17      -5.0691      2.00000
     18      -4.8735      2.00000
     19      -4.8240      2.00000
     20      -4.1125      2.00000
     21       1.5449      0.00000
     22       1.6261      0.00000
     23       2.8357      0.00000
     24       2.9284      0.00000
     25       2.9792      0.00000
     26       3.2676      0.00000
     27       3.4649      0.00000
     28       3.6803      0.00000

 k-point   240 :      -0.2778    0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.8898      2.00000
      2     -22.2876      2.00000
      3     -22.0414      2.00000
      4     -20.1629      2.00000
      5     -17.0778      2.00000
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     10     -11.5835      2.00000
     11     -11.2510      2.00000
     12      -9.8016      2.00000
     13      -9.7158      2.00000
     14      -9.2136      2.00000
     15      -8.9928      2.00000
     16      -8.1995      2.00000
     17      -5.1603      2.00000
     18      -4.6774      2.00000
     19      -4.6250      2.00000
     20      -3.9383      2.00000
     21       1.2969      0.00000
     22       1.3686      0.00000
     23       2.5251      0.00000
     24       2.6710      0.00000
     25       2.9567      0.00000
     26       3.0853      0.00000
     27       3.1964      0.00000
     28       3.4720      0.00000

 k-point   241 :      -0.2222    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.0776      2.00000
      2     -22.4534      2.00000
      3     -21.5634      2.00000
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      7     -14.6193      2.00000
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     10     -11.6582      2.00000
     11     -11.3574      2.00000
     12      -9.8516      2.00000
     13      -9.5880      2.00000
     14      -9.1658      2.00000
     15      -9.1625      2.00000
     16      -7.9922      2.00000
     17      -5.2252      2.00000
     18      -4.4874      2.00000
     19      -4.4272      2.00000
     20      -3.7766      2.00000
     21       1.0969      0.00000
     22       1.1641      0.00000
     23       2.2677      0.00000
     24       2.4300      0.00000
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     27       3.1522      0.00000
     28       3.2675      0.00000

 k-point   242 :      -0.1667    0.2353    0.3333
  band No.  band energies     occupation 
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     26       2.7868      0.00000
     27       3.0469      0.00000
     28       3.1200      0.00000

 k-point   243 :      -0.1111    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3293      2.00000
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     27       2.8703      0.00000
     28       3.0196      0.00000

 k-point   244 :      -0.0556    0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3924      2.00000
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     20      -3.4609      2.00000
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     23       1.8385      0.00000
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     25       2.3506      0.00000
     26       2.6048      0.00000
     27       2.7281      0.00000
     28       2.9526      0.00000

 k-point   245 :       0.0000    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.2447      2.00000
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     21       0.9360      0.00000
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     25       2.5288      0.00000
     26       2.7236      0.00000
     27       2.7739      0.00000
     28       3.0937      0.00000

 k-point   246 :       0.0556    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.2237      2.00000
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     10     -12.1549      2.00000
     11     -11.0681      2.00000
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     20      -3.6020      2.00000
     21       0.9564      0.00000
     22       1.0020      0.00000
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     25       2.5542      0.00000
     26       2.7535      0.00000
     27       2.8133      0.00000
     28       3.0890      0.00000

 k-point   247 :       0.1111    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.1608      2.00000
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     17      -5.3245      2.00000
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     21       1.0186      0.00000
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     23       2.1721      0.00000
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     25       2.6294      0.00000
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     27       2.9264      0.00000
     28       3.0824      0.00000

 k-point   248 :       0.1667    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.0562      2.00000
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     21       1.1256      0.00000
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     27       3.0584      0.00000
     28       3.1100      0.00000

 k-point   249 :       0.2222    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.9101      2.00000
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     10     -11.6318      2.00000
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     21       1.2801      0.00000
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     27       3.1200      0.00000
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 k-point   250 :       0.2778    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.7231      2.00000
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     21       1.4831      0.00000
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     25       3.0001      0.00000
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     27       3.2991      0.00000
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 k-point   251 :       0.3333    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.4956      2.00000
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     26       3.3987      0.00000
     27       3.5565      0.00000
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 k-point   252 :       0.3889    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.2285      2.00000
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     27       3.7811      0.00000
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 k-point   253 :       0.4444    0.2941    0.3333
  band No.  band energies     occupation 
      1     -23.9229      2.00000
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     21       2.3434      0.00000
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     27       3.8767      0.00000
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 k-point   254 :       0.5000    0.2941    0.3333
  band No.  band energies     occupation 
      1     -23.5805      2.00000
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     21       2.6694      0.00000
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     25       3.5517      0.00000
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     27       4.1755      0.00000
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 k-point   255 :      -0.4444    0.2941    0.3333
  band No.  band energies     occupation 
      1     -23.9229      2.00000
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     10     -10.9995      2.00000
     11     -10.7340      2.00000
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     13      -9.5021      2.00000
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     17      -5.2110      2.00000
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     21       2.3432      0.00000
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     27       3.8770      0.00000
     28       3.9510      0.00000

 k-point   256 :      -0.3889    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.2285      2.00000
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     14      -9.2015      2.00000
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     17      -5.1278      2.00000
     18      -5.1091      2.00000
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     21       2.0220      0.00000
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     25       3.4784      0.00000
     26       3.5779      0.00000
     27       3.7808      0.00000
     28       3.8370      0.00000

 k-point   257 :      -0.3333    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.4956      2.00000
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     13      -9.6856      2.00000
     14      -9.2445      2.00000
     15      -8.7524      2.00000
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     17      -5.2223      2.00000
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     21       1.7321      0.00000
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     23       2.8882      0.00000
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     25       3.1486      0.00000
     26       3.3989      0.00000
     27       3.5561      0.00000
     28       3.7120      0.00000

 k-point   258 :      -0.2778    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.7231      2.00000
      2     -22.6715      2.00000
      3     -21.8923      2.00000
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     10     -11.8918      2.00000
     11     -11.3127      2.00000
     12      -9.7200      2.00000
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     14      -9.2492      2.00000
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     17      -5.2852      2.00000
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     20      -4.0999      2.00000
     21       1.4828      0.00000
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     23       2.7660      0.00000
     24       2.8600      0.00000
     25       2.9996      0.00000
     26       3.1351      0.00000
     27       3.2988      0.00000
     28       3.4392      0.00000

 k-point   259 :      -0.2222    0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.9101      2.00000
      2     -22.8428      2.00000
      3     -21.4189      2.00000
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     10     -11.6321      2.00000
     11     -11.6209      2.00000
     12      -9.7868      2.00000
     13      -9.4683      2.00000
     14      -9.2585      2.00000
     15      -8.9056      2.00000
     16      -7.9631      2.00000
     17      -5.3201      2.00000
     18      -4.5743      2.00000
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     20      -3.9325      2.00000
     21       1.2799      0.00000
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     23       2.5132      0.00000
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     25       2.9139      0.00000
     26       3.0698      0.00000
     27       3.1198      0.00000
     28       3.2279      0.00000

 k-point   260 :      -0.1667    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.0562      2.00000
      2     -22.9773      2.00000
      3     -20.9508      2.00000
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     10     -11.8518      2.00000
     11     -11.3800      2.00000
     12      -9.8408      2.00000
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     14      -9.2756      2.00000
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     16      -7.8030      2.00000
     17      -5.3310      2.00000
     18      -4.4025      2.00000
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     20      -3.7870      2.00000
     21       1.1254      0.00000
     22       1.1690      0.00000
     23       2.3145      0.00000
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     25       2.7510      0.00000
     26       2.9426      0.00000
     27       3.0586      0.00000
     28       3.1096      0.00000

 k-point   261 :      -0.1111    0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.1608      2.00000
      2     -23.0739      2.00000
      3     -20.5213      2.00000
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     27       2.9269      0.00000
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 k-point   262 :      -0.0556    0.2941    0.3333
  band No.  band energies     occupation 
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     27       2.8137      0.00000
     28       3.0893      0.00000

 k-point   263 :       0.0000    0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0401      2.00000
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     23       2.3592      0.00000
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     27       2.9501      0.00000
     28       3.1766      0.00000

 k-point   264 :       0.0556    0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0192      2.00000
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     25       2.7531      0.00000
     26       2.8192      0.00000
     27       2.9729      0.00000
     28       3.1741      0.00000

 k-point   265 :       0.1111    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.9566      2.00000
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     23       2.4723      0.00000
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     25       2.8277      0.00000
     26       2.9026      0.00000
     27       3.0310      0.00000
     28       3.1674      0.00000

 k-point   266 :       0.1667    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.8525      2.00000
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     21       1.3501      0.00000
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     26       2.9918      0.00000
     27       3.0848      0.00000
     28       3.2277      0.00000

 k-point   267 :       0.2222    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.7072      2.00000
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 k-point   268 :       0.2778    0.3529    0.3333
  band No.  band energies     occupation 
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     25       3.0935      0.00000
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     27       3.4257      0.00000
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 k-point   269 :       0.3333    0.3529    0.3333
  band No.  band energies     occupation 
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 k-point   270 :       0.3889    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.0295      2.00000
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 k-point   271 :       0.4444    0.3529    0.3333
  band No.  band energies     occupation 
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     27       4.0441      0.00000
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 k-point   272 :       0.5000    0.3529    0.3333
  band No.  band energies     occupation 
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     25       3.6817      0.00000
     26       3.6822      0.00000
     27       4.1980      0.00000
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 k-point   273 :      -0.4444    0.3529    0.3333
  band No.  band energies     occupation 
      1     -23.7258      2.00000
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     27       4.0444      0.00000
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 k-point   274 :      -0.3889    0.3529    0.3333
  band No.  band energies     occupation 
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     27       3.8911      0.00000
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 k-point   275 :      -0.3333    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.2950      2.00000
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     21       1.9492      0.00000
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     27       3.6958      0.00000
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 k-point   276 :      -0.2778    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.5212      2.00000
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     11     -11.1588      2.00000
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     14      -9.2832      2.00000
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     17      -5.3740      2.00000
     18      -4.9297      2.00000
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     21       1.7126      0.00000
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     23       2.9135      0.00000
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     25       3.0935      0.00000
     26       3.2069      0.00000
     27       3.4251      0.00000
     28       3.6270      0.00000

 k-point   277 :      -0.2222    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.7072      2.00000
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     10     -11.9407      2.00000
     11     -11.3699      2.00000
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     14      -9.3380      2.00000
     15      -8.6547      2.00000
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     17      -5.3714      2.00000
     18      -4.7525      2.00000
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     21       1.5075      0.00000
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     25       2.9974      0.00000
     26       3.0338      0.00000
     27       3.2059      0.00000
     28       3.3933      0.00000

 k-point   278 :      -0.1667    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.8525      2.00000
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      3     -20.7862      2.00000
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     10     -11.6456      2.00000
     11     -11.5458      2.00000
     12      -9.8916      2.00000
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     14      -9.3894      2.00000
     15      -8.6731      2.00000
     16      -7.8152      2.00000
     17      -5.3487      2.00000
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     20      -3.9470      2.00000
     21       1.3499      0.00000
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     23       2.6115      0.00000
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     25       2.9300      0.00000
     26       2.9914      0.00000
     27       3.0844      0.00000
     28       3.2272      0.00000

 k-point   279 :      -0.1111    0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.9566      2.00000
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      3     -20.3651      2.00000
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     10     -11.6948      2.00000
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     12      -9.9572      2.00000
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     17      -5.3167      2.00000
     18      -4.4716      2.00000
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     20      -3.8305      2.00000
     21       1.2398      0.00000
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     25       2.8280      0.00000
     26       2.9022      0.00000
     27       3.0312      0.00000
     28       3.1671      0.00000

 k-point   280 :      -0.0556    0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0192      2.00000
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     10     -11.8136      2.00000
     11     -11.2306      2.00000
     12     -10.0011      2.00000
     13      -9.6060      2.00000
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     15      -8.6652      2.00000
     16      -7.6972      2.00000
     17      -5.2889      2.00000
     18      -4.4006      2.00000
     19      -4.2157      2.00000
     20      -3.7560      2.00000
     21       1.1753      0.00000
     22       1.2281      0.00000
     23       2.3876      0.00000
     24       2.5075      0.00000
     25       2.7533      0.00000
     26       2.8189      0.00000
     27       2.9730      0.00000
     28       3.1741      0.00000

 k-point   281 :       0.0000    0.4118    0.3333
  band No.  band energies     occupation 
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     25       2.7397      0.00000
     26       2.9347      0.00000
     27       3.2067      0.00000
     28       3.3495      0.00000

 k-point   282 :       0.0556    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7801      2.00000
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     26       2.9585      0.00000
     27       3.2258      0.00000
     28       3.3612      0.00000

 k-point   283 :       0.1111    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7179      2.00000
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     20      -3.9855      2.00000
     21       1.5004      0.00000
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     25       2.8500      0.00000
     26       3.0237      0.00000
     27       3.2541      0.00000
     28       3.3751      0.00000

 k-point   284 :       0.1667    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.6145      2.00000
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     25       2.9848      0.00000
     26       3.0853      0.00000
     27       3.2681      0.00000
     28       3.4585      0.00000

 k-point   285 :       0.2222    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.4701      2.00000
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     17      -5.3584      2.00000
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     21       1.7738      0.00000
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     24       2.8394      0.00000
     25       3.0956      0.00000
     26       3.1976      0.00000
     27       3.4098      0.00000
     28       3.5473      0.00000

 k-point   286 :       0.2778    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.2853      2.00000
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     10     -12.1650      2.00000
     11     -10.8533      2.00000
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     21       1.9802      0.00000
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     25       3.2205      0.00000
     26       3.4486      0.00000
     27       3.6207      0.00000
     28       3.6820      0.00000

 k-point   287 :       0.3333    0.4118    0.3333
  band No.  band energies     occupation 
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     26       3.7540      0.00000
     27       3.8264      0.00000
     28       3.9273      0.00000

 k-point   288 :       0.3889    0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.7973      2.00000
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     27       4.1004      0.00000
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 k-point   289 :       0.4444    0.4118    0.3333
  band No.  band energies     occupation 
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     26       3.7511      0.00000
     27       4.1173      0.00000
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 k-point   290 :       0.5000    0.4118    0.3333
  band No.  band energies     occupation 
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     21       3.1399      0.00000
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     25       3.7608      0.00000
     26       3.7613      0.00000
     27       4.0400      0.00000
     28       4.0425      0.00000

 k-point   291 :      -0.4444    0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.4961      2.00000
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     27       4.1177      0.00000
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 k-point   292 :      -0.3889    0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.7973      2.00000
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     27       4.1008      0.00000
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 k-point   293 :      -0.3333    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.0607      2.00000
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     27       3.8264      0.00000
     28       3.9276      0.00000

 k-point   294 :      -0.2778    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.2853      2.00000
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     21       1.9799      0.00000
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     25       3.2199      0.00000
     26       3.4486      0.00000
     27       3.6210      0.00000
     28       3.6820      0.00000

 k-point   295 :      -0.2222    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.4701      2.00000
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     11     -11.0219      2.00000
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     21       1.7735      0.00000
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     25       3.0950      0.00000
     26       3.1976      0.00000
     27       3.4100      0.00000
     28       3.5472      0.00000

 k-point   296 :      -0.1667    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.6145      2.00000
      2     -23.7109      2.00000
      3     -20.6002      2.00000
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     10     -11.9529      2.00000
     11     -11.1760      2.00000
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     13      -9.4105      2.00000
     14      -9.3596      2.00000
     15      -8.4098      2.00000
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     17      -5.3008      2.00000
     18      -4.8038      2.00000
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     20      -4.1021      2.00000
     21       1.6131      0.00000
     22       1.6716      0.00000
     23       2.6707      0.00000
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     25       2.9848      0.00000
     26       3.0851      0.00000
     27       3.2679      0.00000
     28       3.4585      0.00000

 k-point   297 :      -0.1111    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7179      2.00000
      2     -23.8112      2.00000
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     10     -11.6664      2.00000
     11     -11.3145      2.00000
     12     -10.1948      2.00000
     13      -9.4658      2.00000
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     15      -8.4147      2.00000
     16      -7.8210      2.00000
     17      -5.2421      2.00000
     18      -4.6902      2.00000
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     20      -3.9851      2.00000
     21       1.5002      0.00000
     22       1.5702      0.00000
     23       2.5799      0.00000
     24       2.7336      0.00000
     25       2.8500      0.00000
     26       3.0238      0.00000
     27       3.2536      0.00000
     28       3.3751      0.00000

 k-point   298 :      -0.0556    0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7801      2.00000
      2     -23.8715      2.00000
      3     -19.8832      2.00000
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     10     -11.4612      2.00000
     11     -11.4295      2.00000
     12     -10.2714      2.00000
     13      -9.5132      2.00000
     14      -9.5022      2.00000
     15      -8.4237      2.00000
     16      -7.8026      2.00000
     17      -5.1984      2.00000
     18      -4.6187      2.00000
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     20      -3.9098      2.00000
     21       1.4336      0.00000
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     26       2.9585      0.00000
     27       3.2256      0.00000
     28       3.3609      0.00000

 k-point   299 :       0.0000    0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.5284      2.00000
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      3     -19.6053      2.00000
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     10     -11.6571      2.00000
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     12     -10.6731      2.00000
     13      -9.5098      2.00000
     14      -9.5055      2.00000
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     17      -5.0241      2.00000
     18      -4.8201      2.00000
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     20      -4.0216      2.00000
     21       1.6772      0.00000
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     23       2.2831      0.00000
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     25       3.1459      0.00000
     26       3.3144      0.00000
     27       3.4591      0.00000
     28       3.5466      0.00000

 k-point   300 :       0.0556    0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.5078      2.00000
      2     -24.2042      2.00000
      3     -19.7172      2.00000
      4     -19.5645      2.00000
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      8     -13.9388      2.00000
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     10     -11.7478      2.00000
     11     -11.0280      2.00000
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 k-point   301 :       0.1111    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   302 :       0.1667    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   303 :       0.2222    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   304 :       0.2778    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   305 :       0.3333    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   306 :       0.3889    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   307 :       0.4444    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   308 :       0.5000    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   309 :      -0.4444    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   310 :      -0.3889    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   311 :      -0.3333    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   312 :      -0.2778    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   313 :      -0.2222    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   314 :      -0.1667    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   315 :      -0.1111    0.4706    0.3333
  band No.  band energies     occupation 
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 k-point   316 :      -0.0556    0.4706    0.3333
  band No.  band energies     occupation 
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     25       3.1740      0.00000
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     27       3.4586      0.00000
     28       3.5416      0.00000

 k-point   317 :       0.0000   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.5284      2.00000
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     25       3.1459      0.00000
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 k-point   318 :       0.0556   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.5078      2.00000
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 k-point   319 :       0.1111   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.4461      2.00000
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     21       1.7689      0.00000
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     25       3.2557      0.00000
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     27       3.4616      0.00000
     28       3.5043      0.00000

 k-point   320 :       0.1667   -0.4706    0.3333
  band No.  band energies     occupation 
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     22       1.9444      0.00000
     23       2.4429      0.00000
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     25       3.2401      0.00000
     26       3.3674      0.00000
     27       3.4251      0.00000
     28       3.5873      0.00000

 k-point   321 :       0.2222   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.2003      2.00000
      2     -23.8998      2.00000
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     10     -12.6099      2.00000
     11     -10.6490      2.00000
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     14      -9.2945      2.00000
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     17      -5.2778      2.00000
     18      -5.1324      2.00000
     19      -4.4790      2.00000
     20      -4.3830      2.00000
     21       2.0480      0.00000
     22       2.0907      0.00000
     23       2.5474      0.00000
     24       2.6048      0.00000
     25       3.1744      0.00000
     26       3.3074      0.00000
     27       3.6104      0.00000
     28       3.7696      0.00000

 k-point   322 :       0.2778   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.0171      2.00000
      2     -23.7185      2.00000
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     11     -10.5029      2.00000
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     13      -9.2595      2.00000
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     15      -8.3375      2.00000
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     17      -5.3664      2.00000
     18      -5.2587      2.00000
     19      -4.6492      2.00000
     20      -4.5542      2.00000
     21       2.2559      0.00000
     22       2.2664      0.00000
     23       2.6509      0.00000
     24       2.6716      0.00000
     25       3.2279      0.00000
     26       3.3605      0.00000
     27       3.8665      0.00000
     28       4.0054      0.00000

 k-point   323 :       0.3333   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.7945      2.00000
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     17      -5.4306      2.00000
     18      -5.3662      2.00000
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     21       2.4743      0.00000
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     23       2.7407      0.00000
     24       2.8519      0.00000
     25       3.3945      0.00000
     26       3.5233      0.00000
     27       4.1773      0.00000
     28       4.2764      0.00000

 k-point   324 :       0.3889   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.5337      2.00000
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     10     -11.1867      2.00000
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     14      -9.1858      2.00000
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     16      -8.7281      2.00000
     17      -5.4493      2.00000
     18      -5.4297      2.00000
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     20      -4.9449      2.00000
     21       2.7369      0.00000
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     23       2.9415      0.00000
     24       3.1067      0.00000
     25       3.5934      0.00000
     26       3.7063      0.00000
     27       4.4087      0.00000
     28       4.5438      0.00000

 k-point   325 :       0.4444   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.2357      2.00000
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     10     -10.6947      2.00000
     11     -10.1963      2.00000
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     13      -9.2932      2.00000
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     17      -5.4289      2.00000
     18      -5.4063      2.00000
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     21       3.0623      0.00000
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     25       3.6632      0.00000
     26       3.7518      0.00000
     27       4.1166      0.00000
     28       4.1461      0.00000

 k-point   326 :       0.5000   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -22.9028      2.00000
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     11     -10.3064      2.00000
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     13      -9.2126      2.00000
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     17      -5.3578      2.00000
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     21       3.3931      0.00000
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     25       3.7259      0.00000
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     27       3.7950      0.00000
     28       3.7975      0.00000

 k-point   327 :      -0.4444   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.2357      2.00000
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     11     -10.1977      2.00000
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     21       3.0619      0.00000
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     25       3.6629      0.00000
     26       3.7520      0.00000
     27       4.1165      0.00000
     28       4.1459      0.00000

 k-point   328 :      -0.3889   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.5337      2.00000
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     17      -5.4477      2.00000
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     21       2.7365      0.00000
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     23       2.9415      0.00000
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     25       3.5932      0.00000
     26       3.7064      0.00000
     27       4.4081      0.00000
     28       4.5440      0.00000

 k-point   329 :      -0.3333   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -23.7945      2.00000
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     18      -5.3678      2.00000
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     25       3.3944      0.00000
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     27       4.1773      0.00000
     28       4.2763      0.00000

 k-point   330 :      -0.2778   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.0171      2.00000
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     21       2.2563      0.00000
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     25       3.2280      0.00000
     26       3.3604      0.00000
     27       3.8665      0.00000
     28       4.0054      0.00000

 k-point   331 :      -0.2222   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.2003      2.00000
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     21       2.0482      0.00000
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     25       3.1745      0.00000
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     27       3.6104      0.00000
     28       3.7696      0.00000

 k-point   332 :      -0.1667   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.3435      2.00000
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     11     -10.7897      2.00000
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     17      -5.1832      2.00000
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     19      -4.3350      2.00000
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     21       1.8851      0.00000
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     25       3.2401      0.00000
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     27       3.4249      0.00000
     28       3.5874      0.00000

 k-point   333 :      -0.1111   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.4461      2.00000
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     10     -11.9801      2.00000
     11     -10.9193      2.00000
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     15      -8.1727      2.00000
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     17      -5.1011      2.00000
     18      -4.9101      2.00000
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     21       1.7690      0.00000
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     23       2.3570      0.00000
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     25       3.2556      0.00000
     26       3.3434      0.00000
     27       3.4608      0.00000
     28       3.5052      0.00000

 k-point   334 :      -0.0556   -0.4706    0.3333
  band No.  band energies     occupation 
      1     -24.5078      2.00000
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     10     -11.7478      2.00000
     11     -11.0280      2.00000
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     13      -9.4921      2.00000
     14      -9.4830      2.00000
     15      -8.1820      2.00000
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     17      -5.0444      2.00000
     18      -4.8435      2.00000
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     21       1.7001      0.00000
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     23       2.3019      0.00000
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     25       3.1740      0.00000
     26       3.3337      0.00000
     27       3.4587      0.00000
     28       3.5420      0.00000

 k-point   335 :       0.0000   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.8009      2.00000
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      3     -19.7635      2.00000
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     10     -11.4816      2.00000
     11     -11.3843      2.00000
     12     -10.3026      2.00000
     13      -9.5433      2.00000
     14      -9.5152      2.00000
     15      -8.4278      2.00000
     16      -7.7996      2.00000
     17      -5.1820      2.00000
     18      -4.5944      2.00000
     19      -4.1860      2.00000
     20      -3.8838      2.00000
     21       1.4117      0.00000
     22       1.4864      0.00000
     23       2.5018      0.00000
     24       2.6382      0.00000
     25       2.7397      0.00000
     26       2.9347      0.00000
     27       3.2068      0.00000
     28       3.3495      0.00000

 k-point   336 :       0.0556   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7801      2.00000
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      3     -19.8832      2.00000
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     10     -11.4612      2.00000
     11     -11.4295      2.00000
     12     -10.2714      2.00000
     13      -9.5132      2.00000
     14      -9.5022      2.00000
     15      -8.4237      2.00000
     16      -7.8026      2.00000
     17      -5.1984      2.00000
     18      -4.6187      2.00000
     19      -4.2107      2.00000
     20      -3.9098      2.00000
     21       1.4336      0.00000
     22       1.5076      0.00000
     23       2.5216      0.00000
     24       2.6644      0.00000
     25       2.7675      0.00000
     26       2.9585      0.00000
     27       3.2257      0.00000
     28       3.3608      0.00000

 k-point   337 :       0.1111   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7179      2.00000
      2     -23.8112      2.00000
      3     -20.1913      2.00000
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      5     -16.9039      2.00000
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      8     -13.5924      2.00000
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     10     -11.6664      2.00000
     11     -11.3145      2.00000
     12     -10.1948      2.00000
     13      -9.4658      2.00000
     14      -9.4388      2.00000
     15      -8.4147      2.00000
     16      -7.8210      2.00000
     17      -5.2421      2.00000
     18      -4.6902      2.00000
     19      -4.2808      2.00000
     20      -3.9851      2.00000
     21       1.5002      0.00000
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     23       2.5799      0.00000
     24       2.7336      0.00000
     25       2.8500      0.00000
     26       3.0237      0.00000
     27       3.2538      0.00000
     28       3.3749      0.00000

 k-point   338 :       0.1667   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.6145      2.00000
      2     -23.7109      2.00000
      3     -20.6002      2.00000
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     10     -11.9529      2.00000
     11     -11.1760      2.00000
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     13      -9.4105      2.00000
     14      -9.3596      2.00000
     15      -8.4098      2.00000
     16      -7.8773      2.00000
     17      -5.3008      2.00000
     18      -4.8038      2.00000
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     20      -4.1021      2.00000
     21       1.6131      0.00000
     22       1.6716      0.00000
     23       2.6707      0.00000
     24       2.8124      0.00000
     25       2.9848      0.00000
     26       3.0851      0.00000
     27       3.2680      0.00000
     28       3.4583      0.00000

 k-point   339 :       0.2222   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.4701      2.00000
      2     -23.5710      2.00000
      3     -21.0501      2.00000
      4     -20.3802      2.00000
      5     -16.6109      2.00000
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     10     -12.2728      2.00000
     11     -11.0219      2.00000
     12      -9.9951      2.00000
     13      -9.3439      2.00000
     14      -9.3116      2.00000
     15      -8.4239      2.00000
     16      -7.9933      2.00000
     17      -5.3597      2.00000
     18      -4.9480      2.00000
     19      -4.5297      2.00000
     20      -4.2510      2.00000
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     22       1.8091      0.00000
     23       2.7772      0.00000
     24       2.8391      0.00000
     25       3.0950      0.00000
     26       3.1975      0.00000
     27       3.4100      0.00000
     28       3.5472      0.00000

 k-point   340 :       0.2778   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.2853      2.00000
      2     -23.3923      2.00000
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     10     -12.1655      2.00000
     11     -10.8517      2.00000
     12      -9.8979      2.00000
     13      -9.3150      2.00000
     14      -9.2737      2.00000
     15      -8.4748      2.00000
     16      -8.1790      2.00000
     17      -5.4052      2.00000
     18      -5.1039      2.00000
     19      -4.7000      2.00000
     20      -4.4231      2.00000
     21       1.9799      0.00000
     22       1.9839      0.00000
     23       2.8062      0.00000
     24       2.8979      0.00000
     25       3.2199      0.00000
     26       3.4486      0.00000
     27       3.6210      0.00000
     28       3.6820      0.00000

 k-point   341 :       0.3333   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.0607      2.00000
      2     -23.1756      2.00000
      3     -21.9570      2.00000
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     10     -11.6254      2.00000
     11     -10.6688      2.00000
     12      -9.8268      2.00000
     13      -9.3664      2.00000
     14      -9.2084      2.00000
     15      -8.5817      2.00000
     16      -8.4255      2.00000
     17      -5.4228      2.00000
     18      -5.2465      2.00000
     19      -4.8917      2.00000
     20      -4.6120      2.00000
     21       2.2049      0.00000
     22       2.2275      0.00000
     23       2.8150      0.00000
     24       3.0808      0.00000
     25       3.4231      0.00000
     26       3.7541      0.00000
     27       3.8264      0.00000
     28       3.9277      0.00000

 k-point   342 :       0.3889   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.7973      2.00000
      2     -22.9222      2.00000
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      4     -21.5850      2.00000
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      7     -14.6100      2.00000
      8     -13.4809      2.00000
      9     -11.3856      2.00000
     10     -11.1266      2.00000
     11     -10.4921      2.00000
     12      -9.8279      2.00000
     13      -9.4315      2.00000
     14      -9.1531      2.00000
     15      -8.7583      2.00000
     16      -8.6951      2.00000
     17      -5.3972      2.00000
     18      -5.3495      2.00000
     19      -5.0844      2.00000
     20      -4.8109      2.00000
     21       2.4818      0.00000
     22       2.5099      0.00000
     23       2.9412      0.00000
     24       3.3385      0.00000
     25       3.6110      0.00000
     26       3.9114      0.00000
     27       4.1008      0.00000
     28       4.1659      0.00000

 k-point   343 :       0.4444   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.4961      2.00000
      2     -22.7877      2.00000
      3     -22.6337      2.00000
      4     -21.9615      2.00000
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      8     -13.8539      2.00000
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     10     -10.7244      2.00000
     11     -10.3896      2.00000
     12      -9.9845      2.00000
     13      -9.4236      2.00000
     14      -9.1023      2.00000
     15      -8.9994      2.00000
     16      -8.9130      2.00000
     17      -5.3902      2.00000
     18      -5.3173      2.00000
     19      -5.2489      2.00000
     20      -5.0072      2.00000
     21       2.8102      0.00000
     22       2.8255      0.00000
     23       3.1587      0.00000
     24       3.4570      0.00000
     25       3.7387      0.00000
     26       3.7510      0.00000
     27       4.1177      0.00000
     28       4.1829      0.00000

 k-point   344 :       0.5000   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.1592      2.00000
      2     -23.1585      2.00000
      3     -22.3126      2.00000
      4     -22.3123      2.00000
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      6     -15.3231      2.00000
      7     -14.2196      2.00000
      8     -14.2188      2.00000
      9     -10.4662      2.00000
     10     -10.4646      2.00000
     11     -10.3407      2.00000
     12     -10.3396      2.00000
     13      -9.2579      2.00000
     14      -9.2561      2.00000
     15      -9.0362      2.00000
     16      -9.0351      2.00000
     17      -5.3577      2.00000
     18      -5.3551      2.00000
     19      -5.1835      2.00000
     20      -5.1820      2.00000
     21       3.1399      0.00000
     22       3.1419      0.00000
     23       3.1638      0.00000
     24       3.1641      0.00000
     25       3.7608      0.00000
     26       3.7613      0.00000
     27       4.0400      0.00000
     28       4.0425      0.00000

 k-point   345 :      -0.4444   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.4961      2.00000
      2     -22.7877      2.00000
      3     -22.6337      2.00000
      4     -21.9614      2.00000
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      8     -13.8538      2.00000
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     10     -10.7232      2.00000
     11     -10.3911      2.00000
     12      -9.9843      2.00000
     13      -9.4243      2.00000
     14      -9.1032      2.00000
     15      -8.9985      2.00000
     16      -8.9121      2.00000
     17      -5.3919      2.00000
     18      -5.3158      2.00000
     19      -5.2475      2.00000
     20      -5.0086      2.00000
     21       2.8101      0.00000
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     23       3.1590      0.00000
     24       3.4569      0.00000
     25       3.7391      0.00000
     26       3.7511      0.00000
     27       4.1173      0.00000
     28       4.1830      0.00000

 k-point   346 :      -0.3889   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -23.7973      2.00000
      2     -22.9222      2.00000
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      8     -13.4808      2.00000
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     10     -11.1256      2.00000
     11     -10.4939      2.00000
     12      -9.8277      2.00000
     13      -9.4317      2.00000
     14      -9.1537      2.00000
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     16      -8.6944      2.00000
     17      -5.3957      2.00000
     18      -5.3511      2.00000
     19      -5.0831      2.00000
     20      -4.8122      2.00000
     21       2.4817      0.00000
     22       2.5100      0.00000
     23       2.9415      0.00000
     24       3.3387      0.00000
     25       3.6113      0.00000
     26       3.9115      0.00000
     27       4.1004      0.00000
     28       4.1658      0.00000

 k-point   347 :      -0.3333   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.0607      2.00000
      2     -23.1756      2.00000
      3     -21.9570      2.00000
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      9     -11.9430      2.00000
     10     -11.6247      2.00000
     11     -10.6705      2.00000
     12      -9.8267      2.00000
     13      -9.3662      2.00000
     14      -9.2087      2.00000
     15      -8.5814      2.00000
     16      -8.4251      2.00000
     17      -5.4212      2.00000
     18      -5.2481      2.00000
     19      -4.8905      2.00000
     20      -4.6131      2.00000
     21       2.2048      0.00000
     22       2.2278      0.00000
     23       2.8152      0.00000
     24       3.0808      0.00000
     25       3.4237      0.00000
     26       3.7540      0.00000
     27       3.8264      0.00000
     28       3.9273      0.00000

 k-point   348 :      -0.2778   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.2853      2.00000
      2     -23.3923      2.00000
      3     -21.5084      2.00000
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      9     -12.3982      2.00000
     10     -12.1650      2.00000
     11     -10.8533      2.00000
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     13      -9.3145      2.00000
     14      -9.2737      2.00000
     15      -8.4749      2.00000
     16      -8.1786      2.00000
     17      -5.4037      2.00000
     18      -5.1053      2.00000
     19      -4.6990      2.00000
     20      -4.4241      2.00000
     21       1.9802      0.00000
     22       1.9837      0.00000
     23       2.8065      0.00000
     24       2.8977      0.00000
     25       3.2205      0.00000
     26       3.4485      0.00000
     27       3.6209      0.00000
     28       3.6818      0.00000

 k-point   349 :      -0.2222   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.4701      2.00000
      2     -23.5710      2.00000
      3     -21.0501      2.00000
      4     -20.3802      2.00000
      5     -16.6111      2.00000
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      8     -13.0563      2.00000
      9     -12.6967      2.00000
     10     -12.2730      2.00000
     11     -11.0235      2.00000
     12      -9.9952      2.00000
     13      -9.3438      2.00000
     14      -9.3109      2.00000
     15      -8.4241      2.00000
     16      -7.9930      2.00000
     17      -5.3584      2.00000
     18      -4.9492      2.00000
     19      -4.5289      2.00000
     20      -4.2519      2.00000
     21       1.7738      0.00000
     22       1.8091      0.00000
     23       2.7768      0.00000
     24       2.8394      0.00000
     25       3.0956      0.00000
     26       3.1976      0.00000
     27       3.4100      0.00000
     28       3.5471      0.00000

 k-point   350 :      -0.1667   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.6145      2.00000
      2     -23.7109      2.00000
      3     -20.6002      2.00000
      4     -20.0009      2.00000
      5     -16.7745      2.00000
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      7     -13.4290      2.00000
      8     -13.2168      2.00000
      9     -13.0179      2.00000
     10     -11.9530      2.00000
     11     -11.1777      2.00000
     12     -10.0980      2.00000
     13      -9.4104      2.00000
     14      -9.3588      2.00000
     15      -8.4102      2.00000
     16      -7.8771      2.00000
     17      -5.2997      2.00000
     18      -4.8047      2.00000
     19      -4.3884      2.00000
     20      -4.1028      2.00000
     21       1.6134      0.00000
     22       1.6716      0.00000
     23       2.6704      0.00000
     24       2.8126      0.00000
     25       2.9848      0.00000
     26       3.0854      0.00000
     27       3.2681      0.00000
     28       3.4583      0.00000

 k-point   351 :      -0.1111   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7179      2.00000
      2     -23.8112      2.00000
      3     -20.1913      2.00000
      4     -19.6764      2.00000
      5     -16.9040      2.00000
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      7     -13.7114      2.00000
      8     -13.5922      2.00000
      9     -12.6965      2.00000
     10     -11.6665      2.00000
     11     -11.3160      2.00000
     12     -10.1949      2.00000
     13      -9.4656      2.00000
     14      -9.4381      2.00000
     15      -8.4150      2.00000
     16      -7.8209      2.00000
     17      -5.2414      2.00000
     18      -4.6908      2.00000
     19      -4.2804      2.00000
     20      -3.9855      2.00000
     21       1.5004      0.00000
     22       1.5702      0.00000
     23       2.5797      0.00000
     24       2.7336      0.00000
     25       2.8500      0.00000
     26       3.0237      0.00000
     27       3.2540      0.00000
     28       3.3752      0.00000

 k-point   352 :      -0.0556   -0.4118    0.3333
  band No.  band energies     occupation 
      1     -24.7801      2.00000
      2     -23.8715      2.00000
      3     -19.8832      2.00000
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      5     -16.9916      2.00000
      6     -16.9259      2.00000
      7     -13.8826      2.00000
      8     -13.8534      2.00000
      9     -12.4375      2.00000
     10     -11.4612      2.00000
     11     -11.4305      2.00000
     12     -10.2715      2.00000
     13      -9.5128      2.00000
     14      -9.5021      2.00000
     15      -8.4239      2.00000
     16      -7.8025      2.00000
     17      -5.1980      2.00000
     18      -4.6190      2.00000
     19      -4.2104      2.00000
     20      -3.9100      2.00000
     21       1.4337      0.00000
     22       1.5076      0.00000
     23       2.5215      0.00000
     24       2.6644      0.00000
     25       2.7675      0.00000
     26       2.9585      0.00000
     27       3.2257      0.00000
     28       3.3612      0.00000

 k-point   353 :       0.0000   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0401      2.00000
      2     -23.5328      2.00000
      3     -19.9207      2.00000
      4     -19.3443      2.00000
      5     -17.0588      2.00000
      6     -16.9682      2.00000
      7     -13.8085      2.00000
      8     -13.7875      2.00000
      9     -12.7141      2.00000
     10     -11.8666      2.00000
     11     -11.1714      2.00000
     12     -10.0169      2.00000
     13      -9.6478      2.00000
     14      -9.4679      2.00000
     15      -8.6617      2.00000
     16      -7.6878      2.00000
     17      -5.2779      2.00000
     18      -4.3777      2.00000
     19      -4.1894      2.00000
     20      -3.7304      2.00000
     21       1.1542      0.00000
     22       1.2074      0.00000
     23       2.3593      0.00000
     24       2.4825      0.00000
     25       2.7262      0.00000
     26       2.7877      0.00000
     27       2.9502      0.00000
     28       3.1766      0.00000

 k-point   354 :       0.0556   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0192      2.00000
      2     -23.5129      2.00000
      3     -20.0456      2.00000
      4     -19.4048      2.00000
      5     -16.9684      2.00000
      6     -16.9346      2.00000
      7     -13.7415      2.00000
      8     -13.7090      2.00000
      9     -12.8212      2.00000
     10     -11.8136      2.00000
     11     -11.2306      2.00000
     12     -10.0011      2.00000
     13      -9.6060      2.00000
     14      -9.4586      2.00000
     15      -8.6652      2.00000
     16      -7.6972      2.00000
     17      -5.2889      2.00000
     18      -4.4006      2.00000
     19      -4.2157      2.00000
     20      -3.7560      2.00000
     21       1.1753      0.00000
     22       1.2281      0.00000
     23       2.3876      0.00000
     24       2.5074      0.00000
     25       2.7534      0.00000
     26       2.8189      0.00000
     27       2.9730      0.00000
     28       3.1741      0.00000

 k-point   355 :       0.1111   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.9566      2.00000
      2     -23.4535      2.00000
      3     -20.3651      2.00000
      4     -19.5786      2.00000
      5     -16.9568      2.00000
      6     -16.6203      2.00000
      7     -13.6021      2.00000
      8     -13.4329      2.00000
      9     -13.0847      2.00000
     10     -11.6948      2.00000
     11     -11.3974      2.00000
     12      -9.9572      2.00000
     13      -9.5050      2.00000
     14      -9.4314      2.00000
     15      -8.6727      2.00000
     16      -7.7335      2.00000
     17      -5.3167      2.00000
     18      -4.4716      2.00000
     19      -4.2887      2.00000
     20      -3.8305      2.00000
     21       1.2398      0.00000
     22       1.2899      0.00000
     23       2.4723      0.00000
     24       2.5814      0.00000
     25       2.8279      0.00000
     26       2.9025      0.00000
     27       3.0311      0.00000
     28       3.1670      0.00000

 k-point   356 :       0.1667   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.8525      2.00000
      2     -23.3548      2.00000
      3     -20.7862      2.00000
      4     -19.8443      2.00000
      5     -16.9119      2.00000
      6     -16.2157      2.00000
      7     -13.4350      2.00000
      8     -13.3672      2.00000
      9     -13.0238      2.00000
     10     -11.6456      2.00000
     11     -11.5458      2.00000
     12      -9.8916      2.00000
     13      -9.4057      2.00000
     14      -9.3894      2.00000
     15      -8.6731      2.00000
     16      -7.8152      2.00000
     17      -5.3487      2.00000
     18      -4.5924      2.00000
     19      -4.3975      2.00000
     20      -3.9470      2.00000
     21       1.3499      0.00000
     22       1.3912      0.00000
     23       2.6115      0.00000
     24       2.7004      0.00000
     25       2.9299      0.00000
     26       2.9916      0.00000
     27       3.0843      0.00000
     28       3.2271      0.00000

 k-point   357 :       0.2222   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.7072      2.00000
      2     -23.2173      2.00000
      3     -21.2467      2.00000
      4     -20.1732      2.00000
      5     -16.8208      2.00000
      6     -15.7896      2.00000
      7     -13.8193      2.00000
      8     -13.0438      2.00000
      9     -12.5455      2.00000
     10     -11.9407      2.00000
     11     -11.3699      2.00000
     12      -9.8128      2.00000
     13      -9.3714      2.00000
     14      -9.3380      2.00000
     15      -8.6547      2.00000
     16      -7.9576      2.00000
     17      -5.3714      2.00000
     18      -4.7525      2.00000
     19      -4.5385      2.00000
     20      -4.0957      2.00000
     21       1.5075      0.00000
     22       1.5319      0.00000
     23       2.7927      0.00000
     24       2.8593      0.00000
     25       2.9974      0.00000
     26       3.0337      0.00000
     27       3.2060      0.00000
     28       3.3932      0.00000

 k-point   358 :       0.2778   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.5212      2.00000
      2     -23.0418      2.00000
      3     -21.7137      2.00000
      4     -20.5372      2.00000
      5     -16.6810      2.00000
      6     -15.3751      2.00000
      7     -14.2181      2.00000
      8     -12.7060      2.00000
      9     -12.1937      2.00000
     10     -12.0459      2.00000
     11     -11.1588      2.00000
     12      -9.7361      2.00000
     13      -9.4223      2.00000
     14      -9.2832      2.00000
     15      -8.6347      2.00000
     16      -8.1629      2.00000
     17      -5.3740      2.00000
     18      -4.9297      2.00000
     19      -4.7110      2.00000
     20      -4.2667      2.00000
     21       1.7126      0.00000
     22       1.7157      0.00000
     23       2.9135      0.00000
     24       2.9733      0.00000
     25       3.0935      0.00000
     26       3.2069      0.00000
     27       3.4252      0.00000
     28       3.6270      0.00000

 k-point   359 :       0.3333   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.2950      2.00000
      2     -22.8293      2.00000
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     15      -8.6600      2.00000
     16      -8.4130      2.00000
     17      -5.3479      2.00000
     18      -5.0979      2.00000
     19      -4.9034      2.00000
     20      -4.4525      2.00000
     21       1.9492      0.00000
     22       1.9619      0.00000
     23       2.8541      0.00000
     24       3.1904      0.00000
     25       3.3962      0.00000
     26       3.4637      0.00000
     27       3.6959      0.00000
     28       3.8909      0.00000

 k-point   360 :       0.3889   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.0295      2.00000
      2     -22.6038      2.00000
      3     -22.5814      2.00000
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      9     -11.4636      2.00000
     10     -11.1999      2.00000
     11     -10.6582      2.00000
     12      -9.7587      2.00000
     13      -9.5928      2.00000
     14      -9.1638      2.00000
     15      -8.7695      2.00000
     16      -8.6619      2.00000
     17      -5.2837      2.00000
     18      -5.2317      2.00000
     19      -5.0885      2.00000
     20      -4.6472      2.00000
     21       2.2364      0.00000
     22       2.2491      0.00000
     23       2.8992      0.00000
     24       3.4187      0.00000
     25       3.6907      0.00000
     26       3.7843      0.00000
     27       3.8914      0.00000
     28       3.9354      0.00000

 k-point   361 :       0.4444   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -23.7258      2.00000
      2     -23.0105      2.00000
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     10     -10.9007      2.00000
     11     -10.5599      2.00000
     12     -10.0011      2.00000
     13      -9.5027      2.00000
     14      -9.0811      2.00000
     15      -8.9745      2.00000
     16      -8.8522      2.00000
     17      -5.3076      2.00000
     18      -5.2333      2.00000
     19      -5.1751      2.00000
     20      -4.8420      2.00000
     21       2.5674      0.00000
     22       2.5717      0.00000
     23       3.0142      0.00000
     24       3.2917      0.00000
     25       3.6303      0.00000
     26       3.9328      0.00000
     27       4.0443      0.00000
     28       4.1278      0.00000

 k-point   362 :       0.5000   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -23.3859      2.00000
      2     -23.3851      2.00000
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     10     -10.6723      2.00000
     11     -10.4126      2.00000
     12     -10.4115      2.00000
     13      -9.2488      2.00000
     14      -9.2471      2.00000
     15      -8.9815      2.00000
     16      -8.9803      2.00000
     17      -5.3115      2.00000
     18      -5.3084      2.00000
     19      -5.0244      2.00000
     20      -5.0230      2.00000
     21       2.8885      0.00000
     22       2.8903      0.00000
     23       2.9379      0.00000
     24       2.9384      0.00000
     25       3.6817      0.00000
     26       3.6822      0.00000
     27       4.1980      0.00000
     28       4.1996      0.00000

 k-point   363 :      -0.4444   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -23.7258      2.00000
      2     -23.0105      2.00000
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      8     -13.4936      2.00000
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     10     -10.9001      2.00000
     11     -10.5606      2.00000
     12     -10.0014      2.00000
     13      -9.5039      2.00000
     14      -9.0817      2.00000
     15      -8.9734      2.00000
     16      -8.8514      2.00000
     17      -5.3094      2.00000
     18      -5.2316      2.00000
     19      -5.1737      2.00000
     20      -4.8433      2.00000
     21       2.5675      0.00000
     22       2.5718      0.00000
     23       3.0145      0.00000
     24       3.2915      0.00000
     25       3.6304      0.00000
     26       3.9327      0.00000
     27       4.0441      0.00000
     28       4.1288      0.00000

 k-point   364 :      -0.3889   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.0295      2.00000
      2     -22.6038      2.00000
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      4     -21.2887      2.00000
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      8     -13.1265      2.00000
      9     -11.4637      2.00000
     10     -11.1991      2.00000
     11     -10.6596      2.00000
     12      -9.7592      2.00000
     13      -9.5935      2.00000
     14      -9.1639      2.00000
     15      -8.7686      2.00000
     16      -8.6612      2.00000
     17      -5.2823      2.00000
     18      -5.2334      2.00000
     19      -5.0870      2.00000
     20      -4.6483      2.00000
     21       2.2364      0.00000
     22       2.2493      0.00000
     23       2.8995      0.00000
     24       3.4186      0.00000
     25       3.6911      0.00000
     26       3.7844      0.00000
     27       3.8913      0.00000
     28       3.9357      0.00000

 k-point   365 :      -0.3333   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.2950      2.00000
      2     -22.8293      2.00000
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     10     -11.5811      2.00000
     11     -10.9096      2.00000
     12      -9.6960      2.00000
     13      -9.5228      2.00000
     14      -9.2274      2.00000
     15      -8.6594      2.00000
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     17      -5.3464      2.00000
     18      -5.0995      2.00000
     19      -4.9021      2.00000
     20      -4.4536      2.00000
     21       1.9492      0.00000
     22       1.9622      0.00000
     23       2.8543      0.00000
     24       3.1901      0.00000
     25       3.3964      0.00000
     26       3.4646      0.00000
     27       3.6963      0.00000
     28       3.8906      0.00000

 k-point   366 :      -0.2778   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.5212      2.00000
      2     -23.0418      2.00000
      3     -21.7137      2.00000
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      8     -12.7055      2.00000
      9     -12.1940      2.00000
     10     -12.0451      2.00000
     11     -11.1609      2.00000
     12      -9.7373      2.00000
     13      -9.4220      2.00000
     14      -9.2824      2.00000
     15      -8.6346      2.00000
     16      -8.1625      2.00000
     17      -5.3726      2.00000
     18      -4.9311      2.00000
     19      -4.7100      2.00000
     20      -4.2676      2.00000
     21       1.7129      0.00000
     22       1.7157      0.00000
     23       2.9138      0.00000
     24       2.9730      0.00000
     25       3.0934      0.00000
     26       3.2077      0.00000
     27       3.4258      0.00000
     28       3.6271      0.00000

 k-point   367 :      -0.2222   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.7072      2.00000
      2     -23.2173      2.00000
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      4     -20.1731      2.00000
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      9     -12.5449      2.00000
     10     -11.9406      2.00000
     11     -11.3718      2.00000
     12      -9.8141      2.00000
     13      -9.3707      2.00000
     14      -9.3371      2.00000
     15      -8.6549      2.00000
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     17      -5.3701      2.00000
     18      -4.7536      2.00000
     19      -4.5376      2.00000
     20      -4.0965      2.00000
     21       1.5078      0.00000
     22       1.5319      0.00000
     23       2.7926      0.00000
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     25       2.9977      0.00000
     26       3.0340      0.00000
     27       3.2066      0.00000
     28       3.3935      0.00000

 k-point   368 :      -0.1667   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.8525      2.00000
      2     -23.3548      2.00000
      3     -20.7862      2.00000
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      9     -13.0233      2.00000
     10     -11.6454      2.00000
     11     -11.5478      2.00000
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     13      -9.4047      2.00000
     14      -9.3884      2.00000
     15      -8.6736      2.00000
     16      -7.8151      2.00000
     17      -5.3476      2.00000
     18      -4.5932      2.00000
     19      -4.3969      2.00000
     20      -3.9476      2.00000
     21       1.3501      0.00000
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     23       2.6116      0.00000
     24       2.7004      0.00000
     25       2.9300      0.00000
     26       2.9914      0.00000
     27       3.0847      0.00000
     28       3.2277      0.00000

 k-point   369 :      -0.1111   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -24.9566      2.00000
      2     -23.4535      2.00000
      3     -20.3652      2.00000
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     10     -11.6965      2.00000
     11     -11.3972      2.00000
     12      -9.9583      2.00000
     13      -9.5041      2.00000
     14      -9.4306      2.00000
     15      -8.6732      2.00000
     16      -7.7334      2.00000
     17      -5.3159      2.00000
     18      -4.4722      2.00000
     19      -4.2883      2.00000
     20      -3.8309      2.00000
     21       1.2399      0.00000
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     23       2.4723      0.00000
     24       2.5814      0.00000
     25       2.8282      0.00000
     26       2.9020      0.00000
     27       3.0311      0.00000
     28       3.1675      0.00000

 k-point   370 :      -0.0556   -0.3529    0.3333
  band No.  band energies     occupation 
      1     -25.0192      2.00000
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      3     -20.0457      2.00000
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     11     -11.2305      2.00000
     12     -10.0018      2.00000
     13      -9.6055      2.00000
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     15      -8.6655      2.00000
     16      -7.6971      2.00000
     17      -5.2885      2.00000
     18      -4.4008      2.00000
     19      -4.2155      2.00000
     20      -3.7562      2.00000
     21       1.1754      0.00000
     22       1.2281      0.00000
     23       2.3876      0.00000
     24       2.5075      0.00000
     25       2.7537      0.00000
     26       2.8186      0.00000
     27       2.9730      0.00000
     28       3.1741      0.00000

 k-point   371 :       0.0000   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.2447      2.00000
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      3     -20.0655      2.00000
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     10     -12.2077      2.00000
     11     -11.0295      2.00000
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     13      -9.8333      2.00000
     14      -9.3046      2.00000
     15      -8.8642      2.00000
     16      -7.6326      2.00000
     17      -5.3090      2.00000
     18      -4.2285      2.00000
     19      -4.1101      2.00000
     20      -3.5772      2.00000
     21       0.9360      0.00000
     22       0.9810      0.00000
     23       2.0579      0.00000
     24       2.2250      0.00000
     25       2.5289      0.00000
     26       2.7231      0.00000
     27       2.7742      0.00000
     28       3.0937      0.00000

 k-point   372 :       0.0556   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.2237      2.00000
      2     -23.1322      2.00000
      3     -20.1940      2.00000
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      5     -16.9632      2.00000
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     10     -12.1536      2.00000
     11     -11.0684      2.00000
     12      -9.8767      2.00000
     13      -9.7778      2.00000
     14      -9.3017      2.00000
     15      -8.8790      2.00000
     16      -7.6480      2.00000
     17      -5.3143      2.00000
     18      -4.2453      2.00000
     19      -4.1432      2.00000
     20      -3.6018      2.00000
     21       0.9563      0.00000
     22       1.0020      0.00000
     23       2.0864      0.00000
     24       2.2512      0.00000
     25       2.5542      0.00000
     26       2.7531      0.00000
     27       2.8136      0.00000
     28       3.0893      0.00000

 k-point   373 :       0.1111   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.1608      2.00000
      2     -23.0739      2.00000
      3     -20.5213      2.00000
      4     -19.5689      2.00000
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      7     -13.4830      2.00000
      8     -13.4297      2.00000
      9     -13.2512      2.00000
     10     -12.0259      2.00000
     11     -11.1862      2.00000
     12      -9.8692      2.00000
     13      -9.6390      2.00000
     14      -9.2918      2.00000
     15      -8.9174      2.00000
     16      -7.7006      2.00000
     17      -5.3253      2.00000
     18      -4.2983      2.00000
     19      -4.2376      2.00000
     20      -3.6737      2.00000
     21       1.0185      0.00000
     22       1.0648      0.00000
     23       2.1721      0.00000
     24       2.3293      0.00000
     25       2.6294      0.00000
     26       2.8299      0.00000
     27       2.9266      0.00000
     28       3.0826      0.00000

 k-point   374 :       0.1667   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.0562      2.00000
      2     -22.9773      2.00000
      3     -20.9508      2.00000
      4     -19.7581      2.00000
      5     -16.9851      2.00000
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      7     -13.8305      2.00000
      8     -13.2381      2.00000
      9     -12.8629      2.00000
     10     -11.8518      2.00000
     11     -11.3800      2.00000
     12      -9.8408      2.00000
     13      -9.4974      2.00000
     14      -9.2756      2.00000
     15      -8.9481      2.00000
     16      -7.8030      2.00000
     17      -5.3310      2.00000
     18      -4.4025      2.00000
     19      -4.3718      2.00000
     20      -3.7870      2.00000
     21       1.1254      0.00000
     22       1.1690      0.00000
     23       2.3145      0.00000
     24       2.4578      0.00000
     25       2.7510      0.00000
     26       2.9427      0.00000
     27       3.0584      0.00000
     28       3.1096      0.00000

 k-point   375 :       0.2222   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.9101      2.00000
      2     -22.8428      2.00000
      3     -21.4189      2.00000
      4     -20.0144      2.00000
      5     -16.9817      2.00000
      6     -15.6687      2.00000
      7     -14.2170      2.00000
      8     -12.9690      2.00000
      9     -12.4360      2.00000
     10     -11.6321      2.00000
     11     -11.6209      2.00000
     12      -9.7868      2.00000
     13      -9.4683      2.00000
     14      -9.2585      2.00000
     15      -8.9056      2.00000
     16      -7.9631      2.00000
     17      -5.3201      2.00000
     18      -4.5743      2.00000
     19      -4.5167      2.00000
     20      -3.9325      2.00000
     21       1.2799      0.00000
     22       1.3158      0.00000
     23       2.5132      0.00000
     24       2.6345      0.00000
     25       2.9140      0.00000
     26       3.0695      0.00000
     27       3.1201      0.00000
     28       3.2278      0.00000

 k-point   376 :       0.2778   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.7231      2.00000
      2     -22.6715      2.00000
      3     -21.8923      2.00000
      4     -20.3197      2.00000
      5     -16.9119      2.00000
      6     -15.1874      2.00000
      7     -14.6154      2.00000
      8     -12.6531      2.00000
      9     -12.0419      2.00000
     10     -11.8918      2.00000
     11     -11.3127      2.00000
     12      -9.7200      2.00000
     13      -9.5654      2.00000
     14      -9.2492      2.00000
     15      -8.8083      2.00000
     16      -8.1751      2.00000
     17      -5.2852      2.00000
     18      -4.7676      2.00000
     19      -4.6931      2.00000
     20      -4.0999      2.00000
     21       1.4828      0.00000
     22       1.5095      0.00000
     23       2.7660      0.00000
     24       2.8599      0.00000
     25       2.9998      0.00000
     26       3.1349      0.00000
     27       3.2988      0.00000
     28       3.4392      0.00000

 k-point   377 :       0.3333   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.4956      2.00000
      2     -22.4646      2.00000
      3     -22.3533      2.00000
      4     -20.6528      2.00000
      5     -16.7777      2.00000
      6     -15.0091      2.00000
      7     -14.7336      2.00000
      8     -12.5339      2.00000
      9     -11.9076      2.00000
     10     -11.7131      2.00000
     11     -10.9605      2.00000
     12      -9.6906      2.00000
     13      -9.6856      2.00000
     14      -9.2445      2.00000
     15      -8.7524      2.00000
     16      -8.4142      2.00000
     17      -5.2223      2.00000
     18      -4.9537      2.00000
     19      -4.8869      2.00000
     20      -4.2808      2.00000
     21       1.7321      0.00000
     22       1.7547      0.00000
     23       2.8882      0.00000
     24       3.0722      0.00000
     25       3.1486      0.00000
     26       3.3989      0.00000
     27       3.5562      0.00000
     28       3.7120      0.00000

 k-point   378 :       0.3889   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.2285      2.00000
      2     -22.7920      2.00000
      3     -22.2241      2.00000
      4     -20.9949      2.00000
      5     -16.5862      2.00000
      6     -15.3865      2.00000
      7     -14.3096      2.00000
      8     -12.7967      2.00000
      9     -11.5039      2.00000
     10     -11.4279      2.00000
     11     -10.7162      2.00000
     12      -9.7846      2.00000
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     27       3.7813      0.00000
     28       3.8366      0.00000

 k-point   379 :       0.4444   -0.2941    0.3333
  band No.  band energies     occupation 
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     25       3.4865      0.00000
     26       3.8283      0.00000
     27       3.8764      0.00000
     28       3.9516      0.00000

 k-point   380 :       0.5000   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -23.5805      2.00000
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     23       2.7784      0.00000
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     25       3.5517      0.00000
     26       3.5523      0.00000
     27       4.1756      0.00000
     28       4.1763      0.00000

 k-point   381 :      -0.4444   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -23.9229      2.00000
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     17      -5.2137      2.00000
     18      -5.1886      2.00000
     19      -4.9979      2.00000
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     21       2.3434      0.00000
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     25       3.4864      0.00000
     26       3.8285      0.00000
     27       3.8768      0.00000
     28       3.9512      0.00000

 k-point   382 :      -0.3889   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.2285      2.00000
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     17      -5.1264      2.00000
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     20      -4.4700      2.00000
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     24       3.3817      0.00000
     25       3.4784      0.00000
     26       3.5774      0.00000
     27       3.7808      0.00000
     28       3.8371      0.00000

 k-point   383 :      -0.3333   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.4956      2.00000
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     25       3.1486      0.00000
     26       3.3988      0.00000
     27       3.5563      0.00000
     28       3.7127      0.00000

 k-point   384 :      -0.2778   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.7231      2.00000
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     25       3.0000      0.00000
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     27       3.2988      0.00000
     28       3.4402      0.00000

 k-point   385 :      -0.2222   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -24.9101      2.00000
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     27       3.1196      0.00000
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 k-point   386 :      -0.1667   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.0562      2.00000
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     27       3.0585      0.00000
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 k-point   387 :      -0.1111   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.1608      2.00000
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     27       2.9268      0.00000
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 k-point   388 :      -0.0556   -0.2941    0.3333
  band No.  band energies     occupation 
      1     -25.2237      2.00000
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     28       3.0890      0.00000

 k-point   389 :       0.0000   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.4135      2.00000
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     27       2.6756      0.00000
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 k-point   390 :       0.0556   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3924      2.00000
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     27       2.7281      0.00000
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 k-point   391 :       0.1111   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3293      2.00000
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     10     -12.2481      2.00000
     11     -11.0433      2.00000
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     14      -9.1207      2.00000
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     17      -5.2817      2.00000
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     21       0.8425      0.00000
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     26       2.6731      0.00000
     27       2.8702      0.00000
     28       3.0196      0.00000

 k-point   392 :       0.1667   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.2242      2.00000
      2     -22.5838      2.00000
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     10     -12.0028      2.00000
     11     -11.1680      2.00000
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     14      -9.2036      2.00000
     15      -9.1328      2.00000
     16      -7.8236      2.00000
     17      -5.2642      2.00000
     18      -4.3351      2.00000
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     20      -3.6369      2.00000
     21       0.9461      0.00000
     22       1.0094      0.00000
     23       2.0674      0.00000
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     25       2.5560      0.00000
     26       2.7867      0.00000
     27       3.0470      0.00000
     28       3.1198      0.00000

 k-point   393 :       0.2222   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.0776      2.00000
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     10     -11.6582      2.00000
     11     -11.3574      2.00000
     12      -9.8516      2.00000
     13      -9.5880      2.00000
     14      -9.1658      2.00000
     15      -9.1625      2.00000
     16      -7.9922      2.00000
     17      -5.2252      2.00000
     18      -4.4874      2.00000
     19      -4.4272      2.00000
     20      -3.7766      2.00000
     21       1.0969      0.00000
     22       1.1641      0.00000
     23       2.2677      0.00000
     24       2.4300      0.00000
     25       2.7348      0.00000
     26       2.9491      0.00000
     27       3.1524      0.00000
     28       3.2674      0.00000

 k-point   394 :       0.2778   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.8898      2.00000
      2     -22.2876      2.00000
      3     -22.0414      2.00000
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     10     -11.5835      2.00000
     11     -11.2510      2.00000
     12      -9.8016      2.00000
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     14      -9.2136      2.00000
     15      -8.9928      2.00000
     16      -8.1995      2.00000
     17      -5.1603      2.00000
     18      -4.6774      2.00000
     19      -4.6250      2.00000
     20      -3.9383      2.00000
     21       1.2969      0.00000
     22       1.3686      0.00000
     23       2.5251      0.00000
     24       2.6709      0.00000
     25       2.9570      0.00000
     26       3.0848      0.00000
     27       3.1967      0.00000
     28       3.4720      0.00000

 k-point   395 :       0.3333   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.6613      2.00000
      2     -22.5063      2.00000
      3     -22.0883      2.00000
      4     -20.4298      2.00000
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     10     -11.7161      2.00000
     11     -10.8955      2.00000
     12      -9.8246      2.00000
     13      -9.7727      2.00000
     14      -9.2695      2.00000
     15      -8.8627      2.00000
     16      -8.4206      2.00000
     17      -5.0691      2.00000
     18      -4.8735      2.00000
     19      -4.8240      2.00000
     20      -4.1125      2.00000
     21       1.5449      0.00000
     22       1.6261      0.00000
     23       2.8358      0.00000
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     25       2.9795      0.00000
     26       3.2676      0.00000
     27       3.4649      0.00000
     28       3.6803      0.00000

 k-point   396 :       0.3889   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.3930      2.00000
      2     -22.9482      2.00000
      3     -21.8580      2.00000
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     10     -11.4867      2.00000
     11     -10.7831      2.00000
     12      -9.8839      2.00000
     13      -9.7297      2.00000
     14      -9.2581      2.00000
     15      -8.8349      2.00000
     16      -8.6290      2.00000
     17      -5.0419      2.00000
     18      -4.9982      2.00000
     19      -4.9523      2.00000
     20      -4.2924      2.00000
     21       1.8357      0.00000
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     23       2.8306      0.00000
     24       3.2116      0.00000
     25       3.3116      0.00000
     26       3.4907      0.00000
     27       3.6015      0.00000
     28       3.6816      0.00000

 k-point   397 :       0.4444   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.0858      2.00000
      2     -23.3612      2.00000
      3     -21.6002      2.00000
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      8     -12.8294      2.00000
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     10     -11.0574      2.00000
     11     -10.9264      2.00000
     12     -10.1836      2.00000
     13      -9.4418      2.00000
     14      -9.1467      2.00000
     15      -8.9309      2.00000
     16      -8.8166      2.00000
     17      -5.1499      2.00000
     18      -5.1225      2.00000
     19      -4.8112      2.00000
     20      -4.4730      2.00000
     21       2.1591      0.00000
     22       2.2942      0.00000
     23       2.7397      0.00000
     24       3.1071      0.00000
     25       3.3580      0.00000
     26       3.6361      0.00000
     27       3.7032      0.00000
     28       3.7557      0.00000

 k-point   398 :       0.5000   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -23.7417      2.00000
      2     -23.7408      2.00000
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     17      -5.1792      2.00000
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     19      -4.6497      2.00000
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     23       2.6903      0.00000
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     25       3.4193      0.00000
     26       3.4200      0.00000
     27       4.0783      0.00000
     28       4.0790      0.00000

 k-point   399 :      -0.4444   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.0858      2.00000
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     10     -11.0574      2.00000
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     13      -9.4432      2.00000
     14      -9.1471      2.00000
     15      -8.9297      2.00000
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     17      -5.1503      2.00000
     18      -5.1221      2.00000
     19      -4.8100      2.00000
     20      -4.4740      2.00000
     21       2.1593      0.00000
     22       2.2943      0.00000
     23       2.7399      0.00000
     24       3.1068      0.00000
     25       3.3576      0.00000
     26       3.6362      0.00000
     27       3.7039      0.00000
     28       3.7554      0.00000

 k-point   400 :      -0.3889   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.3929      2.00000
      2     -22.9482      2.00000
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     10     -11.4869      2.00000
     11     -10.7830      2.00000
     12      -9.8850      2.00000
     13      -9.7311      2.00000
     14      -9.2580      2.00000
     15      -8.8339      2.00000
     16      -8.6282      2.00000
     17      -5.0424      2.00000
     18      -4.9978      2.00000
     19      -4.9511      2.00000
     20      -4.2934      2.00000
     21       1.8360      0.00000
     22       1.9363      0.00000
     23       2.8308      0.00000
     24       3.2116      0.00000
     25       3.3119      0.00000
     26       3.4903      0.00000
     27       3.6011      0.00000
     28       3.6820      0.00000

 k-point   401 :      -0.3333   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.6613      2.00000
      2     -22.5063      2.00000
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     10     -11.7163      2.00000
     11     -10.8960      2.00000
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     13      -9.7744      2.00000
     14      -9.2688      2.00000
     15      -8.8618      2.00000
     16      -8.4199      2.00000
     17      -5.0678      2.00000
     18      -4.8740      2.00000
     19      -4.8237      2.00000
     20      -4.1135      2.00000
     21       1.5452      0.00000
     22       1.6262      0.00000
     23       2.8358      0.00000
     24       2.9286      0.00000
     25       2.9793      0.00000
     26       3.2678      0.00000
     27       3.4649      0.00000
     28       3.6803      0.00000

 k-point   402 :      -0.2778   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -24.8897      2.00000
      2     -22.2876      2.00000
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     10     -11.5833      2.00000
     11     -11.2522      2.00000
     12      -9.8035      2.00000
     13      -9.7161      2.00000
     14      -9.2128      2.00000
     15      -8.9922      2.00000
     16      -8.1989      2.00000
     17      -5.1591      2.00000
     18      -4.6776      2.00000
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     20      -3.9391      2.00000
     21       1.2972      0.00000
     22       1.3687      0.00000
     23       2.5251      0.00000
     24       2.6710      0.00000
     25       2.9571      0.00000
     26       3.0855      0.00000
     27       3.1963      0.00000
     28       3.4724      0.00000

 k-point   403 :      -0.2222   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.0776      2.00000
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     10     -11.6600      2.00000
     11     -11.3570      2.00000
     12      -9.8534      2.00000
     13      -9.5875      2.00000
     14      -9.1649      2.00000
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     16      -7.9917      2.00000
     17      -5.2241      2.00000
     18      -4.4872      2.00000
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     20      -3.7773      2.00000
     21       1.0972      0.00000
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     23       2.2677      0.00000
     24       2.4301      0.00000
     25       2.7349      0.00000
     26       2.9492      0.00000
     27       3.1525      0.00000
     28       3.2677      0.00000

 k-point   404 :      -0.1667   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.2242      2.00000
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     10     -12.0049      2.00000
     11     -11.1674      2.00000
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     13      -9.6394      2.00000
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     17      -5.2632      2.00000
     18      -4.3346      2.00000
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     20      -3.6374      2.00000
     21       0.9463      0.00000
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     23       2.0674      0.00000
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     25       2.5561      0.00000
     26       2.7868      0.00000
     27       3.0469      0.00000
     28       3.1198      0.00000

 k-point   405 :      -0.1111   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3293      2.00000
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     10     -12.2501      2.00000
     11     -11.0428      2.00000
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     17      -5.2810      2.00000
     18      -4.2333      2.00000
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     21       0.8426      0.00000
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     23       1.9244      0.00000
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     25       2.4279      0.00000
     26       2.6731      0.00000
     27       2.8701      0.00000
     28       3.0192      0.00000

 k-point   406 :      -0.0556   -0.2353    0.3333
  band No.  band energies     occupation 
      1     -25.3924      2.00000
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     10     -12.4071      2.00000
     11     -10.9787      2.00000
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     21       0.7827      0.00000
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     23       1.8386      0.00000
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     25       2.3507      0.00000
     26       2.6048      0.00000
     27       2.7280      0.00000
     28       2.9523      0.00000

 k-point   407 :       0.0000   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5456      2.00000
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     11     -10.9495      2.00000
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     21       0.6349      0.00000
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     23       1.6172      0.00000
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     25       2.1605      0.00000
     26       2.4892      0.00000
     27       2.6046      0.00000
     28       2.7443      0.00000

 k-point   408 :       0.0556   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5244      2.00000
      2     -22.3274      2.00000
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     11     -10.9526      2.00000
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     17      -5.2261      2.00000
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     21       0.6537      0.00000
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     23       1.6458      0.00000
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     25       2.1867      0.00000
     26       2.5126      0.00000
     27       2.6608      0.00000
     28       2.7838      0.00000

 k-point   409 :       0.1111   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.4611      2.00000
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     14      -9.2725      2.00000
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     20      -3.4072      2.00000
     21       0.7114      0.00000
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     23       1.7317      0.00000
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     25       2.2656      0.00000
     26       2.5830      0.00000
     27       2.8128      0.00000
     28       2.8972      0.00000

 k-point   410 :       0.1667   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.3558      2.00000
      2     -22.1824      2.00000
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     10     -11.9262      2.00000
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     15      -9.0093      2.00000
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     17      -5.1725      2.00000
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     20      -3.5088      2.00000
     21       0.8120      0.00000
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     23       1.8749      0.00000
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     25       2.3978      0.00000
     26       2.7010      0.00000
     27       3.0060      0.00000
     28       3.0744      0.00000

 k-point   411 :       0.2222   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.2087      2.00000
      2     -22.0572      2.00000
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     10     -11.5102      2.00000
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     12      -9.9493      2.00000
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     17      -5.1118      2.00000
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     20      -3.6415      2.00000
     21       0.9593      0.00000
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     25       2.5838      0.00000
     26       2.8690      0.00000
     27       3.1544      0.00000
     28       3.2967      0.00000

 k-point   412 :       0.2778   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.0203      2.00000
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     10     -11.2920      2.00000
     11     -11.0957      2.00000
     12      -9.9308      2.00000
     13      -9.8415      2.00000
     14      -9.2086      2.00000
     15      -9.1862      2.00000
     16      -8.2250      2.00000
     17      -5.0246      2.00000
     18      -4.6504      2.00000
     19      -4.5374      2.00000
     20      -3.7961      2.00000
     21       1.1562      0.00000
     22       1.2784      0.00000
     23       2.3340      0.00000
     24       2.5154      0.00000
     25       2.8211      0.00000
     26       3.0779      0.00000
     27       3.1769      0.00000
     28       3.5528      0.00000

 k-point   413 :       0.3333   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.7911      2.00000
      2     -22.6268      2.00000
      3     -21.7103      2.00000
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     10     -11.4475      2.00000
     11     -10.8356      2.00000
     12      -9.9208      2.00000
     13      -9.8812      2.00000
     14      -9.3118      2.00000
     15      -8.9910      2.00000
     16      -8.4288      2.00000
     17      -4.9132      2.00000
     18      -4.8508      2.00000
     19      -4.7450      2.00000
     20      -3.9629      2.00000
     21       1.4021      0.00000
     22       1.5475      0.00000
     23       2.6491      0.00000
     24       2.8183      0.00000
     25       2.9826      0.00000
     26       3.1514      0.00000
     27       3.3817      0.00000
     28       3.7830      0.00000

 k-point   414 :       0.3889   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.5218      2.00000
      2     -23.0710      2.00000
      3     -21.4945      2.00000
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     10     -11.3908      2.00000
     11     -10.8841      2.00000
     12     -10.0363      2.00000
     13      -9.6679      2.00000
     14      -9.3227      2.00000
     15      -8.8963      2.00000
     16      -8.6310      2.00000
     17      -5.0179      2.00000
     18      -4.9281      2.00000
     19      -4.7814      2.00000
     20      -4.1340      2.00000
     21       1.6927      0.00000
     22       1.8698      0.00000
     23       2.8273      0.00000
     24       3.0259      0.00000
     25       3.1815      0.00000
     26       3.4341      0.00000
     27       3.5177      0.00000
     28       3.5706      0.00000

 k-point   415 :       0.4444   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.2136      2.00000
      2     -23.4860      2.00000
      3     -21.2567      2.00000
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     10     -11.1079      2.00000
     11     -11.0830      2.00000
     12     -10.3200      2.00000
     13      -9.3539      2.00000
     14      -9.2069      2.00000
     15      -8.9279      2.00000
     16      -8.8319      2.00000
     17      -5.1175      2.00000
     18      -5.0638      2.00000
     19      -4.6334      2.00000
     20      -4.3049      2.00000
     21       2.0175      0.00000
     22       2.2410      0.00000
     23       2.6467      0.00000
     24       3.0953      0.00000
     25       3.2523      0.00000
     26       3.4588      0.00000
     27       3.5653      0.00000
     28       3.6148      0.00000

 k-point   416 :       0.5000   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -23.8681      2.00000
      2     -23.8672      2.00000
      3     -21.0046      2.00000
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      5     -16.7452      2.00000
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     10     -11.3791      2.00000
     11     -10.6948      2.00000
     12     -10.6936      2.00000
     13      -9.0884      2.00000
     14      -9.0870      2.00000
     15      -9.0301      2.00000
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     17      -5.1341      2.00000
     18      -5.1299      2.00000
     19      -4.4740      2.00000
     20      -4.4717      2.00000
     21       2.3548      0.00000
     22       2.3556      0.00000
     23       2.6533      0.00000
     24       2.6548      0.00000
     25       3.3059      0.00000
     26       3.3066      0.00000
     27       3.9447      0.00000
     28       3.9449      0.00000

 k-point   417 :      -0.4444   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.2136      2.00000
      2     -23.4860      2.00000
      3     -21.2568      2.00000
      4     -20.7475      2.00000
      5     -16.9626      2.00000
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      9     -11.6585      2.00000
     10     -11.1077      2.00000
     11     -11.0832      2.00000
     12     -10.3204      2.00000
     13      -9.3552      2.00000
     14      -9.2073      2.00000
     15      -8.9267      2.00000
     16      -8.8313      2.00000
     17      -5.1173      2.00000
     18      -5.0641      2.00000
     19      -4.6324      2.00000
     20      -4.3058      2.00000
     21       2.0177      0.00000
     22       2.2411      0.00000
     23       2.6469      0.00000
     24       3.0950      0.00000
     25       3.2518      0.00000
     26       3.4589      0.00000
     27       3.5659      0.00000
     28       3.6146      0.00000

 k-point   418 :      -0.3889   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.5218      2.00000
      2     -23.0711      2.00000
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     10     -11.3912      2.00000
     11     -10.8839      2.00000
     12     -10.0372      2.00000
     13      -9.6694      2.00000
     14      -9.3227      2.00000
     15      -8.8952      2.00000
     16      -8.6303      2.00000
     17      -5.0177      2.00000
     18      -4.9284      2.00000
     19      -4.7804      2.00000
     20      -4.1348      2.00000
     21       1.6929      0.00000
     22       1.8699      0.00000
     23       2.8276      0.00000
     24       3.0259      0.00000
     25       3.1817      0.00000
     26       3.4334      0.00000
     27       3.5181      0.00000
     28       3.5706      0.00000

 k-point   419 :      -0.3333   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -24.7911      2.00000
      2     -22.6268      2.00000
      3     -21.7104      2.00000
      4     -20.2805      2.00000
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      8     -12.2728      2.00000
      9     -12.1826      2.00000
     10     -11.4476      2.00000
     11     -10.8356      2.00000
     12      -9.9222      2.00000
     13      -9.8824      2.00000
     14      -9.3114      2.00000
     15      -8.9900      2.00000
     16      -8.4282      2.00000
     17      -4.9122      2.00000
     18      -4.8506      2.00000
     19      -4.7454      2.00000
     20      -3.9636      2.00000
     21       1.4023      0.00000
     22       1.5476      0.00000
     23       2.6491      0.00000
     24       2.8185      0.00000
     25       2.9829      0.00000
     26       3.1516      0.00000
     27       3.3819      0.00000
     28       3.7937      0.00000

 k-point   420 :      -0.2778   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.0203      2.00000
      2     -22.1591      2.00000
      3     -21.8991      2.00000
      4     -20.1038      2.00000
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      7     -14.9526      2.00000
      8     -12.4680      2.00000
      9     -12.4203      2.00000
     10     -11.2916      2.00000
     11     -11.0963      2.00000
     12      -9.9324      2.00000
     13      -9.8420      2.00000
     14      -9.2081      2.00000
     15      -9.1855      2.00000
     16      -8.2244      2.00000
     17      -5.0237      2.00000
     18      -4.6501      2.00000
     19      -4.5379      2.00000
     20      -3.7968      2.00000
     21       1.1564      0.00000
     22       1.2784      0.00000
     23       2.3340      0.00000
     24       2.5155      0.00000
     25       2.8212      0.00000
     26       3.0785      0.00000
     27       3.1769      0.00000
     28       3.5525      0.00000

 k-point   421 :      -0.2222   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.2087      2.00000
      2     -22.0573      2.00000
      3     -21.6778      2.00000
      4     -19.9791      2.00000
      5     -17.0207      2.00000
      6     -15.5476      2.00000
      7     -15.0194      2.00000
      8     -12.6829      2.00000
      9     -12.6456      2.00000
     10     -11.5113      2.00000
     11     -11.1250      2.00000
     12      -9.9508      2.00000
     13      -9.7136      2.00000
     14      -9.4118      2.00000
     15      -9.1010      2.00000
     16      -8.0289      2.00000
     17      -5.1109      2.00000
     18      -4.4550      2.00000
     19      -4.3291      2.00000
     20      -3.6421      2.00000
     21       0.9595      0.00000
     22       1.0634      0.00000
     23       2.0757      0.00000
     24       2.2668      0.00000
     25       2.5838      0.00000
     26       2.8692      0.00000
     27       3.1547      0.00000
     28       3.2966      0.00000

 k-point   422 :      -0.1667   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.3558      2.00000
      2     -22.1824      2.00000
      3     -21.2004      2.00000
      4     -19.9030      2.00000
      5     -16.8271      2.00000
      6     -16.1297      2.00000
      7     -14.6351      2.00000
      8     -12.8676      2.00000
      9     -12.8597      2.00000
     10     -11.9277      2.00000
     11     -11.0173      2.00000
     12      -9.9346      2.00000
     13      -9.8432      2.00000
     14      -9.4018      2.00000
     15      -9.0090      2.00000
     16      -7.8599      2.00000
     17      -5.1718      2.00000
     18      -4.2962      2.00000
     19      -4.1397      2.00000
     20      -3.5093      2.00000
     21       0.8121      0.00000
     22       0.9007      0.00000
     23       1.8749      0.00000
     24       2.0742      0.00000
     25       2.3978      0.00000
     26       2.7011      0.00000
     27       3.0058      0.00000
     28       3.0744      0.00000

 k-point   423 :      -0.1111   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.4611      2.00000
      2     -22.2728      2.00000
      3     -20.7606      2.00000
      4     -19.8630      2.00000
      5     -16.6529      2.00000
      6     -16.6071      2.00000
      7     -14.2874      2.00000
      8     -13.0899      2.00000
      9     -12.9871      2.00000
     10     -12.2673      2.00000
     11     -10.9681      2.00000
     12     -10.1064      2.00000
     13      -9.8958      2.00000
     14      -9.2729      2.00000
     15      -8.9295      2.00000
     16      -7.7335      2.00000
     17      -5.2082      2.00000
     18      -4.1883      2.00000
     19      -3.9870      2.00000
     20      -3.4075      2.00000
     21       0.7115      0.00000
     22       0.7869      0.00000
     23       1.7317      0.00000
     24       1.9370      0.00000
     25       2.2656      0.00000
     26       2.5831      0.00000
     27       2.8124      0.00000
     28       2.8971      0.00000

 k-point   424 :      -0.0556   -0.1765    0.3333
  band No.  band energies     occupation 
      1     -25.5244      2.00000
      2     -22.3274      2.00000
      3     -20.4241      2.00000
      4     -19.8454      2.00000
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      6     -16.4250      2.00000
      7     -14.0246      2.00000
      8     -13.2792      2.00000
      9     -13.0635      2.00000
     10     -12.4881      2.00000
     11     -10.9523      2.00000
     12     -10.3082      2.00000
     13      -9.8618      2.00000
     14      -9.1820      2.00000
     15      -8.8705      2.00000
     16      -7.6575      2.00000
     17      -5.2258      2.00000
     18      -4.1293      2.00000
     19      -3.8873      2.00000
     20      -3.3438      2.00000
     21       0.6537      0.00000
     22       0.7193      0.00000
     23       1.6458      0.00000
     24       1.8549      0.00000
     25       2.1867      0.00000
     26       2.5126      0.00000
     27       2.6606      0.00000
     28       2.7837      0.00000

 k-point   425 :       0.0000   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6404      2.00000
      2     -21.9414      2.00000
      3     -20.3654      2.00000
      4     -20.1441      2.00000
      5     -17.2318      2.00000
      6     -16.0329      2.00000
      7     -14.3172      2.00000
      8     -13.3902      2.00000
      9     -12.8625      2.00000
     10     -12.4722      2.00000
     11     -10.9761      2.00000
     12     -10.6803      2.00000
     13      -9.8773      2.00000
     14      -9.2402      2.00000
     15      -8.6584      2.00000
     16      -7.6581      2.00000
     17      -5.1675      2.00000
     18      -4.0745      2.00000
     19      -3.7768      2.00000
     20      -3.2366      2.00000
     21       0.5479      0.00000
     22       0.6180      0.00000
     23       1.4797      0.00000
     24       1.7023      0.00000
     25       2.0403      0.00000
     26       2.4364      0.00000
     27       2.5814      0.00000
     28       2.6010      0.00000

 k-point   426 :       0.0556   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6192      2.00000
      2     -21.9240      2.00000
      3     -20.4990      2.00000
      4     -20.1404      2.00000
      5     -17.0771      2.00000
      6     -16.1162      2.00000
      7     -14.4208      2.00000
      8     -13.3287      2.00000
      9     -12.8411      2.00000
     10     -12.3742      2.00000
     11     -10.9678      2.00000
     12     -10.6008      2.00000
     13      -9.8909      2.00000
     14      -9.2756      2.00000
     15      -8.6912      2.00000
     16      -7.6868      2.00000
     17      -5.1592      2.00000
     18      -4.0935      2.00000
     19      -3.8126      2.00000
     20      -3.2567      2.00000
     21       0.5661      0.00000
     22       0.6411      0.00000
     23       1.5083      0.00000
     24       1.7300      0.00000
     25       2.0667      0.00000
     26       2.4628      0.00000
     27       2.6366      0.00000
     28       2.6519      0.00000

 k-point   427 :       0.1111   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.5558      2.00000
      2     -21.8720      2.00000
      3     -20.8380      2.00000
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      5     -16.6762      2.00000
      6     -16.3301      2.00000
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      8     -13.1833      2.00000
      9     -12.7770      2.00000
     10     -12.1077      2.00000
     11     -10.9470      2.00000
     12     -10.3843      2.00000
     13      -9.9318      2.00000
     14      -9.3776      2.00000
     15      -8.7815      2.00000
     16      -7.7703      2.00000
     17      -5.1323      2.00000
     18      -4.1549      2.00000
     19      -3.9156      2.00000
     20      -3.3162      2.00000
     21       0.6223      0.00000
     22       0.7109      0.00000
     23       1.5941      0.00000
     24       1.8131      0.00000
     25       2.1465      0.00000
     26       2.5397      0.00000
     27       2.7801      0.00000
     28       2.8023      0.00000

 k-point   428 :       0.1667   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.4502      2.00000
      2     -21.7863      2.00000
      3     -21.2805      2.00000
      4     -20.1242      2.00000
      5     -16.6027      2.00000
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      7     -15.0295      2.00000
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      9     -12.6715      2.00000
     10     -11.7291      2.00000
     11     -10.9287      2.00000
     12     -10.0863      2.00000
     13      -9.9945      2.00000
     14      -9.5288      2.00000
     15      -8.9109      2.00000
     16      -7.9010      2.00000
     17      -5.0824      2.00000
     18      -4.2674      2.00000
     19      -4.0736      2.00000
     20      -3.4119      2.00000
     21       0.7204      0.00000
     22       0.8289      0.00000
     23       1.7374      0.00000
     24       1.9521      0.00000
     25       2.2804      0.00000
     26       2.6657      0.00000
     27       2.9678      0.00000
     28       3.0211      0.00000

 k-point   429 :       0.2222   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.3028      2.00000
      2     -21.7604      2.00000
      3     -21.6685      2.00000
      4     -20.1297      2.00000
      5     -16.8710      2.00000
      6     -15.5267      2.00000
      7     -15.4097      2.00000
      8     -12.8103      2.00000
      9     -12.5280      2.00000
     10     -11.3057      2.00000
     11     -10.9434      2.00000
     12     -10.0573      2.00000
     13      -9.8391      2.00000
     14      -9.6266      2.00000
     15      -9.0627      2.00000
     16      -8.0650      2.00000
     17      -5.0063      2.00000
     18      -4.4324      2.00000
     19      -4.2700      2.00000
     20      -3.5379      2.00000
     21       0.8649      0.00000
     22       0.9981      0.00000
     23       1.9383      0.00000
     24       2.1475      0.00000
     25       2.4693      0.00000
     26       2.8421      0.00000
     27       3.1317      0.00000
     28       3.2758      0.00000

 k-point   430 :       0.2778   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.1140      2.00000
      2     -22.2440      2.00000
      3     -21.5208      2.00000
      4     -20.1633      2.00000
      5     -17.0881      2.00000
      6     -15.7936      2.00000
      7     -14.8956      2.00000
      8     -12.5978      2.00000
      9     -12.3565      2.00000
     10     -11.0255      2.00000
     11     -10.9386      2.00000
     12     -10.0899      2.00000
     13      -9.9120      2.00000
     14      -9.3823      2.00000
     15      -9.2240      2.00000
     16      -8.2469      2.00000
     17      -4.9040      2.00000
     18      -4.6340      2.00000
     19      -4.4857      2.00000
     20      -3.6856      2.00000
     21       1.0590      0.00000
     22       1.2213      0.00000
     23       2.1968      0.00000
     24       2.3999      0.00000
     25       2.7121      0.00000
     26       3.0645      0.00000
     27       3.2096      0.00000
     28       3.5411      0.00000

 k-point   431 :       0.3333   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.8843      2.00000
      2     -22.7136      2.00000
      3     -21.3469      2.00000
      4     -20.2395      2.00000
      5     -17.2212      2.00000
      6     -16.1613      2.00000
      7     -14.2729      2.00000
      8     -12.3641      2.00000
      9     -12.1920      2.00000
     10     -11.1575      2.00000
     11     -10.8210      2.00000
     12     -10.1129      2.00000
     13      -9.8444      2.00000
     14      -9.3590      2.00000
     15      -9.1316      2.00000
     16      -8.4379      2.00000
     17      -4.8389      2.00000
     18      -4.7792      2.00000
     19      -4.6994      2.00000
     20      -3.8452      2.00000
     21       1.3028      0.00000
     22       1.4996      0.00000
     23       2.5127      0.00000
     24       2.7085      0.00000
     25       2.9787      0.00000
     26       3.1191      0.00000
     27       3.3689      0.00000
     28       3.6284      0.00000

 k-point   432 :       0.3889   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.6144      2.00000
      2     -23.1595      2.00000
      3     -21.1520      2.00000
      4     -20.3651      2.00000
      5     -17.2530      2.00000
      6     -16.4979      2.00000
      7     -13.6842      2.00000
      8     -12.1427      2.00000
      9     -12.1085      2.00000
     10     -11.2144      2.00000
     11     -10.9852      2.00000
     12     -10.2278      2.00000
     13      -9.5624      2.00000
     14      -9.3817      2.00000
     15      -8.9743      2.00000
     16      -8.6393      2.00000
     17      -5.0061      2.00000
     18      -4.8889      2.00000
     19      -4.6381      2.00000
     20      -4.0084      2.00000
     21       1.5926      0.00000
     22       1.8316      0.00000
     23       2.8435      0.00000
     24       2.8963      0.00000
     25       3.0763      0.00000
     26       3.3088      0.00000
     27       3.4610      0.00000
     28       3.5732      0.00000

 k-point   433 :       0.4444   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.3054      2.00000
      2     -23.5757      2.00000
      3     -20.9437      2.00000
      4     -20.5346      2.00000
      5     -17.1832      2.00000
      6     -16.7901      2.00000
      7     -13.1506      2.00000
      8     -12.3296      2.00000
      9     -11.8332      2.00000
     10     -11.2527      2.00000
     11     -11.0636      2.00000
     12     -10.4739      2.00000
     13      -9.2644      2.00000
     14      -9.2614      2.00000
     15      -8.9413      2.00000
     16      -8.8536      2.00000
     17      -5.1012      2.00000
     18      -5.0321      2.00000
     19      -4.4870      2.00000
     20      -4.1704      2.00000
     21       1.9184      0.00000
     22       2.2138      0.00000
     23       2.5883      0.00000
     24       3.1021      0.00000
     25       3.1696      0.00000
     26       3.3300      0.00000
     27       3.4552      0.00000
     28       3.5129      0.00000

 k-point   434 :       0.5000   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -23.9590      2.00000
      2     -23.9581      2.00000
      3     -20.7336      2.00000
      4     -20.7326      2.00000
      5     -17.0249      2.00000
      6     -17.0224      2.00000
      7     -12.6912      2.00000
      8     -12.6888      2.00000
      9     -11.5448      2.00000
     10     -11.5434      2.00000
     11     -10.7808      2.00000
     12     -10.7796      2.00000
     13      -9.0718      2.00000
     14      -9.0703      2.00000
     15      -9.0419      2.00000
     16      -9.0405      2.00000
     17      -5.1106      2.00000
     18      -5.1061      2.00000
     19      -4.3315      2.00000
     20      -4.3289      2.00000
     21       2.2615      0.00000
     22       2.2620      0.00000
     23       2.6397      0.00000
     24       2.6413      0.00000
     25       3.2210      0.00000
     26       3.2217      0.00000
     27       3.8148      0.00000
     28       3.8149      0.00000

 k-point   435 :      -0.4444   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.3054      2.00000
      2     -23.5757      2.00000
      3     -20.9438      2.00000
      4     -20.5345      2.00000
      5     -17.1837      2.00000
      6     -16.7896      2.00000
      7     -13.1510      2.00000
      8     -12.3289      2.00000
      9     -11.8334      2.00000
     10     -11.2525      2.00000
     11     -11.0639      2.00000
     12     -10.4741      2.00000
     13      -9.2647      2.00000
     14      -9.2626      2.00000
     15      -8.9402      2.00000
     16      -8.8531      2.00000
     17      -5.1009      2.00000
     18      -5.0324      2.00000
     19      -4.4863      2.00000
     20      -4.1711      2.00000
     21       1.9186      0.00000
     22       2.2138      0.00000
     23       2.5885      0.00000
     24       3.1020      0.00000
     25       3.1691      0.00000
     26       3.3300      0.00000
     27       3.4557      0.00000
     28       3.5127      0.00000

 k-point   436 :      -0.3889   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.6144      2.00000
      2     -23.1595      2.00000
      3     -21.1520      2.00000
      4     -20.3650      2.00000
      5     -17.2535      2.00000
      6     -16.4974      2.00000
      7     -13.6844      2.00000
      8     -12.1419      2.00000
      9     -12.1087      2.00000
     10     -11.2147      2.00000
     11     -10.9850      2.00000
     12     -10.2285      2.00000
     13      -9.5636      2.00000
     14      -9.3818      2.00000
     15      -8.9733      2.00000
     16      -8.6388      2.00000
     17      -5.0059      2.00000
     18      -4.8892      2.00000
     19      -4.6373      2.00000
     20      -4.0091      2.00000
     21       1.5927      0.00000
     22       1.8317      0.00000
     23       2.8439      0.00000
     24       2.8964      0.00000
     25       3.0764      0.00000
     26       3.3083      0.00000
     27       3.4611      0.00000
     28       3.5728      0.00000

 k-point   437 :      -0.3333   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -24.8843      2.00000
      2     -22.7136      2.00000
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     10     -11.1574      2.00000
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     13      -9.8456      2.00000
     14      -9.3589      2.00000
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     16      -8.4373      2.00000
     17      -4.8387      2.00000
     18      -4.7784      2.00000
     19      -4.6998      2.00000
     20      -3.8458      2.00000
     21       1.3030      0.00000
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     23       2.5127      0.00000
     24       2.7086      0.00000
     25       2.9788      0.00000
     26       3.1196      0.00000
     27       3.3691      0.00000
     28       3.6274      0.00000

 k-point   438 :      -0.2778   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.1140      2.00000
      2     -22.2440      2.00000
      3     -21.5208      2.00000
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     10     -11.0250      2.00000
     11     -10.9389      2.00000
     12     -10.0911      2.00000
     13      -9.9128      2.00000
     14      -9.3815      2.00000
     15      -9.2239      2.00000
     16      -8.2464      2.00000
     17      -4.9033      2.00000
     18      -4.6337      2.00000
     19      -4.4861      2.00000
     20      -3.6861      2.00000
     21       1.0591      0.00000
     22       1.2214      0.00000
     23       2.1968      0.00000
     24       2.3999      0.00000
     25       2.7121      0.00000
     26       3.0649      0.00000
     27       3.2100      0.00000
     28       3.5412      0.00000

 k-point   439 :      -0.2222   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.3028      2.00000
      2     -21.7604      2.00000
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      9     -12.5278      2.00000
     10     -11.3065      2.00000
     11     -10.9428      2.00000
     12     -10.0585      2.00000
     13      -9.8389      2.00000
     14      -9.6265      2.00000
     15      -9.0626      2.00000
     16      -8.0646      2.00000
     17      -5.0057      2.00000
     18      -4.4321      2.00000
     19      -4.2705      2.00000
     20      -3.5384      2.00000
     21       0.8650      0.00000
     22       0.9982      0.00000
     23       1.9383      0.00000
     24       2.1476      0.00000
     25       2.4694      0.00000
     26       2.8423      0.00000
     27       3.1319      0.00000
     28       3.2759      0.00000

 k-point   440 :      -0.1667   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.4502      2.00000
      2     -21.7864      2.00000
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      9     -12.6714      2.00000
     10     -11.7301      2.00000
     11     -10.9282      2.00000
     12     -10.0855      2.00000
     13      -9.9953      2.00000
     14      -9.5292      2.00000
     15      -8.9109      2.00000
     16      -7.9006      2.00000
     17      -5.0819      2.00000
     18      -4.2671      2.00000
     19      -4.0740      2.00000
     20      -3.4123      2.00000
     21       0.7205      0.00000
     22       0.8289      0.00000
     23       1.7374      0.00000
     24       1.9521      0.00000
     25       2.2805      0.00000
     26       2.6659      0.00000
     27       2.9674      0.00000
     28       3.0212      0.00000

 k-point   441 :      -0.1111   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.5558      2.00000
      2     -21.8720      2.00000
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      6     -16.3304      2.00000
      7     -14.6823      2.00000
      8     -13.1834      2.00000
      9     -12.7770      2.00000
     10     -12.1087      2.00000
     11     -10.9467      2.00000
     12     -10.3836      2.00000
     13      -9.9323      2.00000
     14      -9.3778      2.00000
     15      -8.7815      2.00000
     16      -7.7700      2.00000
     17      -5.1319      2.00000
     18      -4.1547      2.00000
     19      -3.9159      2.00000
     20      -3.3164      2.00000
     21       0.6223      0.00000
     22       0.7109      0.00000
     23       1.5941      0.00000
     24       1.8131      0.00000
     25       2.1465      0.00000
     26       2.5398      0.00000
     27       2.7794      0.00000
     28       2.8026      0.00000

 k-point   442 :      -0.0556   -0.1176    0.3333
  band No.  band energies     occupation 
      1     -25.6192      2.00000
      2     -21.9240      2.00000
      3     -20.4990      2.00000
      4     -20.1404      2.00000
      5     -17.0771      2.00000
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      7     -14.4202      2.00000
      8     -13.3287      2.00000
      9     -12.8410      2.00000
     10     -12.3749      2.00000
     11     -10.9676      2.00000
     12     -10.6004      2.00000
     13      -9.8911      2.00000
     14      -9.2757      2.00000
     15      -8.6912      2.00000
     16      -7.6866      2.00000
     17      -5.1590      2.00000
     18      -4.0934      2.00000
     19      -3.8127      2.00000
     20      -3.2568      2.00000
     21       0.5661      0.00000
     22       0.6411      0.00000
     23       1.5083      0.00000
     24       1.7300      0.00000
     25       2.0667      0.00000
     26       2.4628      0.00000
     27       2.6360      0.00000
     28       2.6522      0.00000

 k-point   443 :       0.0000   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6974      2.00000
      2     -21.5739      2.00000
      3     -20.4555      2.00000
      4     -20.4103      2.00000
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      6     -15.7070      2.00000
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      8     -13.4567      2.00000
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     10     -12.3068      2.00000
     11     -11.0122      2.00000
     12     -10.9263      2.00000
     13      -9.9076      2.00000
     14      -9.2953      2.00000
     15      -8.5267      2.00000
     16      -7.6849      2.00000
     17      -5.1188      2.00000
     18      -4.0527      2.00000
     19      -3.7364      2.00000
     20      -3.1846      2.00000
     21       0.4979      0.00000
     22       0.5715      0.00000
     23       1.3972      0.00000
     24       1.6268      0.00000
     25       1.9671      0.00000
     26       2.4093      0.00000
     27       2.5061      0.00000
     28       2.6216      0.00000

 k-point   444 :       0.0556   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6762      2.00000
      2     -21.5575      2.00000
      3     -20.5445      2.00000
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     10     -12.2005      2.00000
     11     -10.9970      2.00000
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     13      -9.9213      2.00000
     14      -9.3327      2.00000
     15      -8.5657      2.00000
     16      -7.7159      2.00000
     17      -5.1084      2.00000
     18      -4.0720      2.00000
     19      -3.7731      2.00000
     20      -3.2037      2.00000
     21       0.5158      0.00000
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     23       1.4258      0.00000
     24       1.6546      0.00000
     25       1.9937      0.00000
     26       2.4365      0.00000
     27       2.5648      0.00000
     28       2.6775      0.00000

 k-point   445 :       0.1111   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6127      2.00000
      2     -21.5088      2.00000
      3     -20.8849      2.00000
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     10     -11.9174      2.00000
     11     -10.9532      2.00000
     12     -10.6216      2.00000
     13      -9.9651      2.00000
     14      -9.4401      2.00000
     15      -8.6763      2.00000
     16      -7.8037      2.00000
     17      -5.0754      2.00000
     18      -4.1346      2.00000
     19      -3.8789      2.00000
     20      -3.2604      2.00000
     21       0.5710      0.00000
     22       0.6661      0.00000
     23       1.5116      0.00000
     24       1.7382      0.00000
     25       2.0738      0.00000
     26       2.5149      0.00000
     27       2.7363      0.00000
     28       2.8164      0.00000

 k-point   446 :       0.1667   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.5071      2.00000
      2     -21.4291      2.00000
      3     -21.3290      2.00000
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     10     -11.5312      2.00000
     11     -10.8875      2.00000
     12     -10.3042      2.00000
     13     -10.0430      2.00000
     14      -9.6004      2.00000
     15      -8.8417      2.00000
     16      -7.9346      2.00000
     17      -5.0173      2.00000
     18      -4.2499      2.00000
     19      -4.0411      2.00000
     20      -3.3520      2.00000
     21       0.6676      0.00000
     22       0.7868      0.00000
     23       1.6549      0.00000
     24       1.8780      0.00000
     25       2.2083      0.00000
     26       2.6439      0.00000
     27       2.9610      0.00000
     28       3.0088      0.00000

 k-point   447 :       0.2222   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.3595      2.00000
      2     -21.8104      2.00000
      3     -21.3203      2.00000
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     10     -11.1242      2.00000
     11     -10.8183      2.00000
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     13      -9.9651      2.00000
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     15      -9.0396      2.00000
     16      -8.0916      2.00000
     17      -4.9320      2.00000
     18      -4.4190      2.00000
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     20      -3.4731      2.00000
     21       0.8102      0.00000
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     23       1.8558      0.00000
     24       2.0746      0.00000
     25       2.3981      0.00000
     26       2.8250      0.00000
     27       3.1112      0.00000
     28       3.3166      0.00000

 k-point   448 :       0.2778   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.1704      2.00000
      2     -22.2953      2.00000
      3     -21.1861      2.00000
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     10     -10.8282      2.00000
     11     -10.7923      2.00000
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     13      -9.9076      2.00000
     14      -9.5627      2.00000
     15      -9.2408      2.00000
     16      -8.2624      2.00000
     17      -4.8208      2.00000
     18      -4.6254      2.00000
     19      -4.4619      2.00000
     20      -3.6158      2.00000
     21       1.0024      0.00000
     22       1.1881      0.00000
     23       2.1144      0.00000
     24       2.3285      0.00000
     25       2.6428      0.00000
     26       3.0551      0.00000
     27       3.2326      0.00000
     28       3.5863      0.00000

 k-point   449 :       0.3333   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.9404      2.00000
      2     -22.7660      2.00000
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     10     -10.8702      2.00000
     11     -10.8330      2.00000
     12     -10.3400      2.00000
     13      -9.7515      2.00000
     14      -9.3945      2.00000
     15      -9.2669      2.00000
     16      -8.4454      2.00000
     17      -4.8341      2.00000
     18      -4.6886      2.00000
     19      -4.6791      2.00000
     20      -3.7703      2.00000
     21       1.2448      0.00000
     22       1.4719      0.00000
     23       2.4305      0.00000
     24       2.6393      0.00000
     25       2.9325      0.00000
     26       3.1823      0.00000
     27       3.3644      0.00000
     28       3.4691      0.00000

 k-point   450 :       0.3889   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.6702      2.00000
      2     -23.2128      2.00000
      3     -20.8651      2.00000
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     10     -11.0560      2.00000
     11     -10.9919      2.00000
     12     -10.4430      2.00000
     13      -9.4540      2.00000
     14      -9.4230      2.00000
     15      -9.0569      2.00000
     16      -8.6475      2.00000
     17      -5.0024      2.00000
     18      -4.8723      2.00000
     19      -4.5424      2.00000
     20      -3.9279      2.00000
     21       1.5338      0.00000
     22       1.8098      0.00000
     23       2.8013      0.00000
     24       2.9001      0.00000
     25       3.0070      0.00000
     26       3.2032      0.00000
     27       3.3933      0.00000
     28       3.6034      0.00000

 k-point   451 :       0.4444   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.3607      2.00000
      2     -23.6298      2.00000
      3     -20.6972      2.00000
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      5     -17.3022      2.00000
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      8     -12.1911      2.00000
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     10     -11.3449      2.00000
     11     -10.9951      2.00000
     12     -10.6293      2.00000
     13      -9.3052      2.00000
     14      -9.1836      2.00000
     15      -8.9669      2.00000
     16      -8.8710      2.00000
     17      -5.0958      2.00000
     18      -5.0194      2.00000
     19      -4.3904      2.00000
     20      -4.0835      2.00000
     21       1.8602      0.00000
     22       2.1987      0.00000
     23       2.5594      0.00000
     24       3.1082      0.00000
     25       3.1134      0.00000
     26       3.2536      0.00000
     27       3.3865      0.00000
     28       3.4464      0.00000

 k-point   452 :       0.5000   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.0138      2.00000
      2     -24.0128      2.00000
      3     -20.5436      2.00000
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      5     -17.2197      2.00000
      6     -17.2168      2.00000
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      8     -12.5335      2.00000
      9     -11.6475      2.00000
     10     -11.6460      2.00000
     11     -10.8439      2.00000
     12     -10.8427      2.00000
     13      -9.1026      2.00000
     14      -9.1011      2.00000
     15      -9.0118      2.00000
     16      -9.0105      2.00000
     17      -5.1020      2.00000
     18      -5.0973      2.00000
     19      -4.2386      2.00000
     20      -4.2357      2.00000
     21       2.2077      0.00000
     22       2.2081      0.00000
     23       2.6331      0.00000
     24       2.6348      0.00000
     25       3.1692      0.00000
     26       3.1696      0.00000
     27       3.7338      0.00000
     28       3.7338      0.00000

 k-point   453 :      -0.4444   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.3607      2.00000
      2     -23.6298      2.00000
      3     -20.6972      2.00000
      4     -20.4191      2.00000
      5     -17.3026      2.00000
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      9     -11.9422      2.00000
     10     -11.3448      2.00000
     11     -10.9955      2.00000
     12     -10.6293      2.00000
     13      -9.3054      2.00000
     14      -9.1845      2.00000
     15      -8.9660      2.00000
     16      -8.8707      2.00000
     17      -5.0957      2.00000
     18      -5.0196      2.00000
     19      -4.3900      2.00000
     20      -4.0839      2.00000
     21       1.8603      0.00000
     22       2.1987      0.00000
     23       2.5595      0.00000
     24       3.1081      0.00000
     25       3.1131      0.00000
     26       3.2536      0.00000
     27       3.3868      0.00000
     28       3.4463      0.00000

 k-point   454 :      -0.3889   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.6702      2.00000
      2     -23.2128      2.00000
      3     -20.8651      2.00000
      4     -20.3394      2.00000
      5     -17.2814      2.00000
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      9     -12.0655      2.00000
     10     -11.0559      2.00000
     11     -10.9920      2.00000
     12     -10.4433      2.00000
     13      -9.4549      2.00000
     14      -9.4231      2.00000
     15      -9.0561      2.00000
     16      -8.6472      2.00000
     17      -5.0022      2.00000
     18      -4.8725      2.00000
     19      -4.5420      2.00000
     20      -3.9282      2.00000
     21       1.5339      0.00000
     22       1.8098      0.00000
     23       2.8012      0.00000
     24       2.9005      0.00000
     25       3.0071      0.00000
     26       3.2026      0.00000
     27       3.3934      0.00000
     28       3.6032      0.00000

 k-point   455 :      -0.3333   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -24.9404      2.00000
      2     -22.7660      2.00000
      3     -21.0318      2.00000
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      9     -12.1326      2.00000
     10     -10.8700      2.00000
     11     -10.8328      2.00000
     12     -10.3408      2.00000
     13      -9.7524      2.00000
     14      -9.3945      2.00000
     15      -9.2661      2.00000
     16      -8.4451      2.00000
     17      -4.8340      2.00000
     18      -4.6882      2.00000
     19      -4.6792      2.00000
     20      -3.7706      2.00000
     21       1.2449      0.00000
     22       1.4719      0.00000
     23       2.4305      0.00000
     24       2.6394      0.00000
     25       2.9324      0.00000
     26       3.1831      0.00000
     27       3.3646      0.00000
     28       3.4680      0.00000

 k-point   456 :      -0.2778   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.1704      2.00000
      2     -22.2953      2.00000
      3     -21.1862      2.00000
      4     -20.3150      2.00000
      5     -16.9357      2.00000
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      7     -14.8664      2.00000
      8     -12.7116      2.00000
      9     -12.2708      2.00000
     10     -10.8283      2.00000
     11     -10.7918      2.00000
     12     -10.2654      2.00000
     13      -9.9085      2.00000
     14      -9.5619      2.00000
     15      -9.2408      2.00000
     16      -8.2621      2.00000
     17      -4.8204      2.00000
     18      -4.6253      2.00000
     19      -4.4622      2.00000
     20      -3.6160      2.00000
     21       1.0025      0.00000
     22       1.1882      0.00000
     23       2.1144      0.00000
     24       2.3286      0.00000
     25       2.6428      0.00000
     26       3.0553      0.00000
     27       3.2330      0.00000
     28       3.5864      0.00000

 k-point   457 :      -0.2222   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.3595      2.00000
      2     -21.8104      2.00000
      3     -21.3203      2.00000
      4     -20.3463      2.00000
      5     -16.6513      2.00000
      6     -15.7607      2.00000
      7     -15.5185      2.00000
      8     -12.9207      2.00000
      9     -12.4127      2.00000
     10     -11.1246      2.00000
     11     -10.8179      2.00000
     12     -10.1532      2.00000
     13      -9.9649      2.00000
     14      -9.7595      2.00000
     15      -9.0396      2.00000
     16      -8.0914      2.00000
     17      -4.9316      2.00000
     18      -4.4189      2.00000
     19      -4.2424      2.00000
     20      -3.4733      2.00000
     21       0.8103      0.00000
     22       0.9600      0.00000
     23       1.8558      0.00000
     24       2.0747      0.00000
     25       2.3981      0.00000
     26       2.8252      0.00000
     27       3.1113      0.00000
     28       3.3146      0.00000

 k-point   458 :      -0.1667   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.5071      2.00000
      2     -21.4291      2.00000
      3     -21.3290      2.00000
      4     -20.3861      2.00000
      5     -16.3349      2.00000
      6     -16.1415      2.00000
      7     -15.3879      2.00000
      8     -13.1076      2.00000
      9     -12.5337      2.00000
     10     -11.5318      2.00000
     11     -10.8872      2.00000
     12     -10.3037      2.00000
     13     -10.0435      2.00000
     14      -9.6005      2.00000
     15      -8.8418      2.00000
     16      -7.9344      2.00000
     17      -5.0170      2.00000
     18      -4.2497      2.00000
     19      -4.0413      2.00000
     20      -3.3522      2.00000
     21       0.6676      0.00000
     22       0.7868      0.00000
     23       1.6549      0.00000
     24       1.8780      0.00000
     25       2.2083      0.00000
     26       2.6440      0.00000
     27       2.9608      0.00000
     28       3.0089      0.00000

 k-point   459 :      -0.1111   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6127      2.00000
      2     -21.5088      2.00000
      3     -20.8849      2.00000
      4     -20.4222      2.00000
      5     -16.6927      2.00000
      6     -16.0300      2.00000
      7     -15.0456      2.00000
      8     -13.2726      2.00000
      9     -12.6241      2.00000
     10     -11.9180      2.00000
     11     -10.9530      2.00000
     12     -10.6212      2.00000
     13      -9.9653      2.00000
     14      -9.4402      2.00000
     15      -8.6764      2.00000
     16      -7.8035      2.00000
     17      -5.0752      2.00000
     18      -4.1345      2.00000
     19      -3.8790      2.00000
     20      -3.2605      2.00000
     21       0.5710      0.00000
     22       0.6661      0.00000
     23       1.5116      0.00000
     24       1.7382      0.00000
     25       2.0737      0.00000
     26       2.5149      0.00000
     27       2.7361      0.00000
     28       2.8161      0.00000

 k-point   460 :      -0.0556   -0.0588    0.3333
  band No.  band energies     occupation 
      1     -25.6762      2.00000
      2     -21.5575      2.00000
      3     -20.5445      2.00000
      4     -20.4468      2.00000
      5     -17.0996      2.00000
      6     -15.7970      2.00000
      7     -14.7858      2.00000
      8     -13.4026      2.00000
      9     -12.6797      2.00000
     10     -12.2009      2.00000
     11     -10.9969      2.00000
     12     -10.8450      2.00000
     13      -9.9214      2.00000
     14      -9.3328      2.00000
     15      -8.5658      2.00000
     16      -7.7158      2.00000
     17      -5.1082      2.00000
     18      -4.0719      2.00000
     19      -3.7732      2.00000
     20      -3.2038      2.00000
     21       0.5158      0.00000
     22       0.5950      0.00000
     23       1.4258      0.00000
     24       1.6546      0.00000
     25       1.9937      0.00000
     26       2.4365      0.00000
     27       2.5647      0.00000
     28       2.6773      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
 10.300  13.699  -0.003   0.005  -0.002   0.008  -0.015   0.006
 13.699  18.220  -0.003   0.006  -0.002   0.010  -0.020   0.007
 -0.003  -0.003  -4.438  -0.003   0.001   8.693   0.006  -0.003
  0.005   0.006  -0.003  -4.433  -0.002   0.006   8.682   0.004
 -0.002  -0.002   0.001  -0.002  -4.439  -0.003   0.004   8.695
  0.008   0.010   8.693   0.006  -0.003 -19.169  -0.013   0.005
 -0.015  -0.020   0.006   8.682   0.004  -0.013 -19.147  -0.008
  0.006   0.007  -0.003   0.004   8.695   0.005  -0.008 -19.173
 total augmentation occupancy for first ion, spin component:           1
  7.224  -3.190  -0.097   0.074  -0.009  -0.026   0.030  -0.007
 -3.190   1.508   0.095  -0.116   0.034   0.018  -0.023   0.006
 -0.097   0.095   1.504  -0.067   0.009   0.135   0.003  -0.003
  0.074  -0.116  -0.067   1.576  -0.049   0.003   0.127   0.002
 -0.009   0.034   0.009  -0.049   1.473  -0.003   0.002   0.135
 -0.026   0.018   0.135   0.003  -0.003   0.014   0.001  -0.001
  0.030  -0.023   0.003   0.127   0.002   0.001   0.012   0.001
 -0.007   0.006  -0.003   0.002   0.135  -0.001   0.001   0.014


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


    CHARGE:  cpu time    1.4360: real time    1.4398
    FORLOC:  cpu time    0.0158: real time    0.0158
    FORNL :  cpu time    2.3942: real time    2.4006
    STRESS:  cpu time   11.7458: real time   11.7773
    FORCOR:  cpu time    0.1272: real time    0.1275
    FORHAR:  cpu time    0.0397: real time    0.0398
    MIXING:  cpu time    0.0084: real time    0.0084
    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)   -0.90105

 E6    (eV) :    -0.6525
 E8    (eV) :    -0.2485
 % E8        : 27.58
    FORVDW:  cpu time    0.0378: real time    0.0396

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    13.77444    13.77444    13.77444
  Ewald   17107.69514 16946.03860-18207.06979     0.05282     0.00134     0.05513
  Hartree 17151.10875 17062.16680-16929.43574     0.01168     0.00460     0.00315
  E(xc)    -159.06731  -159.45750  -160.64153     0.00029    -0.00008     0.00078
  Local  -34708.08108-34466.66433 34638.02905    -0.05337    -0.00810    -0.04832
  n-local   -72.80717   -76.10572   -84.34878    -0.00017    -0.00015     0.00244
  augment     2.67491     3.06823     4.41072    -0.00024     0.00003    -0.00043
  Kinetic   664.16582   676.79478   723.36801    -0.00706     0.00748    -0.05043
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -0.91673    -0.93447    -0.21497     0.00000     0.00001    -0.00000
  -------------------------------------------------------------------------------------
  Total      -1.45324    -1.31919    -2.12859     0.00396     0.00513    -0.03768
  in kB      -4.50221    -4.08694    -6.59448     0.01226     0.01590    -0.11674
  external pressure =       -5.06 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      800.00
  volume of cell :      517.16
      direct lattice vectors                 reciprocal lattice vectors
     4.001094818  0.000000000  0.000000000     0.249931593  0.000000000  0.000000000
     0.000000000  4.308450695  0.000000000     0.000000000  0.232101995  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     4.001094818  4.308450695 30.000000000     0.249931593  0.232101995  0.033333333


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.732E+01 -.341E+02 0.301E+03   0.919E+01 0.367E+02 -.306E+03   -.176E+01 -.249E+01 0.466E+01   0.154E-06 0.990E-06 0.168E-05
   -.727E+01 0.341E+02 -.302E+03   0.914E+01 -.367E+02 0.307E+03   -.176E+01 0.248E+01 -.466E+01   -.149E-06 -.746E-06 -.104E-05
   -.731E+01 -.341E+02 -.302E+03   0.918E+01 0.367E+02 0.307E+03   -.176E+01 -.248E+01 -.466E+01   0.312E-06 0.540E-07 -.115E-05
   -.732E+01 0.342E+02 0.302E+03   0.919E+01 -.368E+02 -.307E+03   -.176E+01 0.248E+01 0.467E+01   0.328E-06 -.606E-06 0.998E-06
   -.100E+02 -.210E+02 0.179E+03   0.114E+02 0.229E+02 -.184E+03   -.150E+01 -.215E+01 0.489E+01   -.117E-07 0.143E-06 0.198E-06
   -.100E+02 0.209E+02 -.179E+03   0.114E+02 -.229E+02 0.184E+03   -.150E+01 0.214E+01 -.488E+01   0.537E-07 -.136E-06 -.115E-06
   -.100E+02 -.209E+02 -.179E+03   0.114E+02 0.229E+02 0.184E+03   -.150E+01 -.215E+01 -.488E+01   -.119E-07 0.721E-07 -.225E-06
   -.999E+01 0.209E+02 0.179E+03   0.114E+02 -.229E+02 -.184E+03   -.149E+01 0.214E+01 0.489E+01   0.134E-06 -.231E-06 -.890E-07
   0.128E+02 -.390E+02 0.330E+03   -.206E+02 0.499E+02 -.348E+03   0.774E+01 -.110E+02 0.175E+02   0.593E-06 0.122E-05 0.243E-05
   0.128E+02 0.390E+02 -.331E+03   -.205E+02 -.500E+02 0.348E+03   0.774E+01 0.110E+02 -.176E+02   -.944E-06 -.165E-06 -.235E-05
   0.128E+02 -.390E+02 -.330E+03   -.206E+02 0.500E+02 0.347E+03   0.774E+01 -.110E+02 -.175E+02   0.785E-06 -.110E-06 -.175E-05
   0.128E+02 0.390E+02 0.330E+03   -.206E+02 -.500E+02 -.348E+03   0.774E+01 0.110E+02 0.176E+02   -.160E-05 -.394E-06 0.272E-05
 -----------------------------------------------------------------------------------------------
   -.179E+02 0.184E-01 -.281E-01   0.711E-14 -.142E-13 0.568E-13   0.179E+02 -.184E-01 0.280E-01   -.361E-06 0.886E-07 0.130E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.30618      3.87654     29.52391         0.105908      0.098130     -0.318246
      0.30600      0.32863      0.72962         0.104064     -0.098996      0.323807
      2.30637      1.72224      0.72934         0.107274      0.103185      0.321953
      0.30556      2.48293     29.52288         0.105133     -0.100103     -0.314794
      2.61130      4.30467     28.53534        -0.119047     -0.168471      0.378138
      0.61257      4.21063      1.71905        -0.128804      0.166843     -0.391066
      2.61224      2.14992      1.71825        -0.127357     -0.167940     -0.385192
      0.60995      2.05639     28.53308        -0.117069      0.165496      0.388553
      0.83485      3.83389     29.60436         0.020840     -0.027056      0.157701
      2.83576      0.37109      0.64941         0.012104      0.027934     -0.161797
      0.83513      1.67963      0.64805         0.017139     -0.028331     -0.157340
      2.83535      2.52539     29.60394         0.019815      0.029309      0.158284
 -----------------------------------------------------------------------------------
    total drift:                                0.000181      0.000000     -0.000073


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -82.95528194 eV

  energy  without entropy=      -82.95528194  energy(sigma->0) =      -82.95528194
  enthalpy is  TOTEN    =       -82.95495916 eV   P V=        0.00032278



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


    POTLOK:  cpu time    0.1151: real time    0.1156


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


     LOOP+:  cpu time  919.4307: real time  922.0251
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0   702294. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     297931. kBytes
   fftplans  :       9259. kBytes
   grid      :      16617. kBytes
   one-center:          6. kBytes
   wavefun   :     348481. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      942.205
                            User time (sec):      936.387
                          System time (sec):        5.818
                         Elapsed time (sec):      944.902
  
                   Maximum memory used (kb):      791332.
                   Average memory used (kb):           0.
  
                          Minor page faults:       182139
                          Major page faults:            0
                 Voluntary context switches:         1424
