 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jun 30 2017 11:24:31) complex           
 executed on             LinuxGNU date 2017.11.08  14:04:16
 running on    2 total cores
 distrk:  each k-point on    2 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE Li_sv 10Sep2004               
 POTCAR:    PAW_PBE Li_sv 10Sep2004               
   VRHFIN =Li: 1s2s2p                                                           
   LEXCH  = PE                                                                  
   EATOM  =   202.7858 eV,   14.9043 Ry                                         
                                                                                
   TITEL  = PAW_PBE Li_sv 10Sep2004                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    7.010; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.700    outmost cutoff radius                                   
   RWIGS  =    2.050; RWIGS  =    1.085    wigner-seitz radius (au A)           
   ENMAX  =  499.034; ENMIN  =  374.276 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  628.945                                                            
   RMAX   =    1.732    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.728    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50       -51.8549   2.0000                                         
     2  0  0.50        -2.8742   1.0000                                         
     2  1  0.50        -1.3606   0.0000                                         
     3  2  1.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -51.8548813     23  1.400                                             
     0     -2.8742052     23  1.700                                             
     1     -1.3605826     23  1.400                                             
     2     -1.3605826     23  1.400                                             
  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

  PAW_PBE Li_sv 10Sep2004               :
 energy of atom  1       EATOM= -202.7858
 kinetic energy error for atom=    0.0087 (will be added to EATOM!!)


 POSCAR: Li                                      
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000



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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-

  LATTYP: Found a body centered cubic cell.
 ALAT       =     6.3840957000
  
  Lattice vectors:
  
 A1 = (  -3.1920478500,   3.1920478500,   3.1920478500)
 A2 = (   3.1920478500,  -3.1920478500,   3.1920478500)
 A3 = (   3.1920478500,   3.1920478500,  -3.1920478500)


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 
 body centered cubic supercell.


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


The static configuration has the point symmetry O_h .


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 
 body centered cubic supercell.


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


The dynamic configuration has the point symmetry O_h .


Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

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


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


The magnetic configuration has the point symmetry O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 48 operations are pure point group operations),
 and found     1 'primitive' translations



 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    4    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    5     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    6    -1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    7     1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   11     1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   15     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   16    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   17     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   18    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   19     1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   20    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   21     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   22    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   23     1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   25     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   26    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   27     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   28    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   29     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   30    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   31     1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   32    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   33     1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   34    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   35     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   36    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   37     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   38    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   39     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   40    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   41     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   42    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   43     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   44    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   45     1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   46    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   48    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    455 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.040000  0.000000  0.000000     12.000000
  0.080000  0.000000  0.000000     12.000000
  0.120000  0.000000  0.000000     12.000000
  0.160000  0.000000  0.000000     12.000000
  0.200000  0.000000  0.000000     12.000000
  0.240000  0.000000  0.000000     12.000000
  0.280000  0.000000  0.000000     12.000000
  0.320000  0.000000  0.000000     12.000000
  0.360000  0.000000  0.000000     12.000000
  0.400000  0.000000  0.000000     12.000000
  0.440000  0.000000  0.000000     12.000000
  0.480000  0.000000  0.000000     12.000000
  0.040000  0.040000  0.000000     24.000000
  0.080000  0.040000  0.000000     48.000000
  0.120000  0.040000  0.000000     48.000000
  0.160000  0.040000  0.000000     48.000000
  0.200000  0.040000  0.000000     48.000000
  0.240000  0.040000  0.000000     48.000000
  0.280000  0.040000  0.000000     48.000000
  0.320000  0.040000  0.000000     48.000000
  0.360000  0.040000  0.000000     48.000000
  0.400000  0.040000  0.000000     48.000000
  0.440000  0.040000  0.000000     48.000000
  0.480000  0.040000  0.000000     24.000000
  0.080000  0.080000  0.000000     24.000000
  0.120000  0.080000  0.000000     48.000000
  0.160000  0.080000  0.000000     48.000000
  0.200000  0.080000  0.000000     48.000000
  0.240000  0.080000  0.000000     48.000000
  0.280000  0.080000  0.000000     48.000000
  0.320000  0.080000  0.000000     48.000000
  0.360000  0.080000  0.000000     48.000000
  0.400000  0.080000  0.000000     48.000000
  0.440000  0.080000  0.000000     48.000000
  0.120000  0.120000  0.000000     24.000000
  0.160000  0.120000  0.000000     48.000000
  0.200000  0.120000  0.000000     48.000000
  0.240000  0.120000  0.000000     48.000000
  0.280000  0.120000  0.000000     48.000000
  0.320000  0.120000  0.000000     48.000000
  0.360000  0.120000  0.000000     48.000000
  0.400000  0.120000  0.000000     48.000000
  0.440000  0.120000  0.000000     24.000000
  0.160000  0.160000  0.000000     24.000000
  0.200000  0.160000  0.000000     48.000000
  0.240000  0.160000  0.000000     48.000000
  0.280000  0.160000  0.000000     48.000000
  0.320000  0.160000  0.000000     48.000000
  0.360000  0.160000  0.000000     48.000000
  0.400000  0.160000  0.000000     48.000000
  0.200000  0.200000  0.000000     24.000000
  0.240000  0.200000  0.000000     48.000000
  0.280000  0.200000  0.000000     48.000000
  0.320000  0.200000  0.000000     48.000000
  0.360000  0.200000  0.000000     48.000000
  0.400000  0.200000  0.000000     24.000000
  0.240000  0.240000  0.000000     24.000000
  0.280000  0.240000  0.000000     48.000000
  0.320000  0.240000  0.000000     48.000000
  0.360000  0.240000  0.000000     48.000000
  0.280000  0.280000  0.000000     24.000000
  0.320000  0.280000  0.000000     48.000000
  0.360000  0.280000  0.000000     24.000000
  0.320000  0.320000  0.000000     24.000000
  0.040000  0.040000  0.040000      8.000000
  0.080000  0.040000  0.040000     24.000000
  0.120000  0.040000  0.040000     24.000000
  0.160000  0.040000  0.040000     24.000000
  0.200000  0.040000  0.040000     24.000000
  0.240000  0.040000  0.040000     24.000000
  0.280000  0.040000  0.040000     24.000000
  0.320000  0.040000  0.040000     24.000000
  0.360000  0.040000  0.040000     24.000000
  0.400000  0.040000  0.040000     24.000000
  0.440000  0.040000  0.040000     24.000000
 -0.040000  0.040000  0.040000      6.000000
  0.080000  0.080000  0.040000     24.000000
  0.120000  0.080000  0.040000     48.000000
  0.160000  0.080000  0.040000     48.000000
  0.200000  0.080000  0.040000     48.000000
  0.240000  0.080000  0.040000     48.000000
  0.280000  0.080000  0.040000     48.000000
  0.320000  0.080000  0.040000     48.000000
  0.360000  0.080000  0.040000     48.000000
  0.400000  0.080000  0.040000     48.000000
  0.440000  0.080000  0.040000     24.000000
 -0.080000  0.080000  0.040000     24.000000
  0.120000  0.120000  0.040000     24.000000
  0.160000  0.120000  0.040000     48.000000
  0.200000  0.120000  0.040000     48.000000
  0.240000  0.120000  0.040000     48.000000
  0.280000  0.120000  0.040000     48.000000
  0.320000  0.120000  0.040000     48.000000
  0.360000  0.120000  0.040000     48.000000
  0.400000  0.120000  0.040000     48.000000
 -0.120000  0.120000  0.040000     24.000000
 -0.080000  0.120000  0.040000     24.000000
  0.160000  0.160000  0.040000     24.000000
  0.200000  0.160000  0.040000     48.000000
  0.240000  0.160000  0.040000     48.000000
  0.280000  0.160000  0.040000     48.000000
  0.320000  0.160000  0.040000     48.000000
  0.360000  0.160000  0.040000     48.000000
  0.400000  0.160000  0.040000     24.000000
 -0.160000  0.160000  0.040000     24.000000
 -0.120000  0.160000  0.040000     48.000000
  0.200000  0.200000  0.040000     24.000000
  0.240000  0.200000  0.040000     48.000000
  0.280000  0.200000  0.040000     48.000000
  0.320000  0.200000  0.040000     48.000000
  0.360000  0.200000  0.040000     48.000000
 -0.200000  0.200000  0.040000     24.000000
 -0.160000  0.200000  0.040000     48.000000
 -0.120000  0.200000  0.040000     24.000000
  0.240000  0.240000  0.040000     24.000000
  0.280000  0.240000  0.040000     48.000000
  0.320000  0.240000  0.040000     48.000000
  0.360000  0.240000  0.040000     24.000000
 -0.240000  0.240000  0.040000     24.000000
 -0.200000  0.240000  0.040000     48.000000
 -0.160000  0.240000  0.040000     48.000000
  0.280000  0.280000  0.040000     24.000000
  0.320000  0.280000  0.040000     48.000000
 -0.280000  0.280000  0.040000     24.000000
 -0.240000  0.280000  0.040000     48.000000
 -0.200000  0.280000  0.040000     48.000000
 -0.160000  0.280000  0.040000     24.000000
  0.320000  0.320000  0.040000      8.000000
 -0.320000  0.320000  0.040000     24.000000
 -0.280000  0.320000  0.040000     48.000000
 -0.240000  0.320000  0.040000     48.000000
 -0.200000  0.320000  0.040000     48.000000
 -0.360000  0.360000  0.040000     24.000000
 -0.320000  0.360000  0.040000     48.000000
 -0.280000  0.360000  0.040000     48.000000
 -0.240000  0.360000  0.040000     48.000000
 -0.200000  0.360000  0.040000     24.000000
 -0.400000  0.400000  0.040000     24.000000
 -0.360000  0.400000  0.040000     48.000000
 -0.320000  0.400000  0.040000     48.000000
 -0.280000  0.400000  0.040000     48.000000
 -0.240000  0.400000  0.040000     48.000000
 -0.440000  0.440000  0.040000     24.000000
 -0.400000  0.440000  0.040000     48.000000
 -0.360000  0.440000  0.040000     48.000000
 -0.320000  0.440000  0.040000     48.000000
 -0.280000  0.440000  0.040000     48.000000
 -0.240000  0.440000  0.040000     24.000000
 -0.480000  0.480000  0.040000     24.000000
 -0.440000  0.480000  0.040000     48.000000
 -0.400000  0.480000  0.040000     48.000000
 -0.360000  0.480000  0.040000     48.000000
 -0.320000  0.480000  0.040000     48.000000
 -0.280000  0.480000  0.040000     48.000000
 -0.480000 -0.480000  0.040000     24.000000
 -0.440000 -0.480000  0.040000     48.000000
 -0.400000 -0.480000  0.040000     48.000000
 -0.360000 -0.480000  0.040000     48.000000
 -0.320000 -0.480000  0.040000     48.000000
 -0.280000 -0.480000  0.040000     24.000000
 -0.440000 -0.440000  0.040000     24.000000
 -0.400000 -0.440000  0.040000     48.000000
 -0.360000 -0.440000  0.040000     48.000000
 -0.320000 -0.440000  0.040000     48.000000
 -0.400000 -0.400000  0.040000     24.000000
 -0.360000 -0.400000  0.040000     48.000000
 -0.320000 -0.400000  0.040000     24.000000
 -0.360000 -0.360000  0.040000     24.000000
  0.080000  0.080000  0.080000      8.000000
  0.120000  0.080000  0.080000     24.000000
  0.160000  0.080000  0.080000     24.000000
  0.200000  0.080000  0.080000     24.000000
  0.240000  0.080000  0.080000     24.000000
  0.280000  0.080000  0.080000     24.000000
  0.320000  0.080000  0.080000     24.000000
  0.360000  0.080000  0.080000     24.000000
  0.400000  0.080000  0.080000     24.000000
 -0.080000  0.080000  0.080000      6.000000
  0.120000  0.120000  0.080000     24.000000
  0.160000  0.120000  0.080000     48.000000
  0.200000  0.120000  0.080000     48.000000
  0.240000  0.120000  0.080000     48.000000
  0.280000  0.120000  0.080000     48.000000
  0.320000  0.120000  0.080000     48.000000
  0.360000  0.120000  0.080000     48.000000
  0.400000  0.120000  0.080000     24.000000
 -0.120000  0.120000  0.080000     24.000000
  0.160000  0.160000  0.080000     24.000000
  0.200000  0.160000  0.080000     48.000000
  0.240000  0.160000  0.080000     48.000000
  0.280000  0.160000  0.080000     48.000000
  0.320000  0.160000  0.080000     48.000000
  0.360000  0.160000  0.080000     48.000000
 -0.160000  0.160000  0.080000     24.000000
 -0.120000  0.160000  0.080000     24.000000
  0.200000  0.200000  0.080000     24.000000
  0.240000  0.200000  0.080000     48.000000
  0.280000  0.200000  0.080000     48.000000
  0.320000  0.200000  0.080000     48.000000
  0.360000  0.200000  0.080000     24.000000
 -0.200000  0.200000  0.080000     24.000000
 -0.160000  0.200000  0.080000     48.000000
  0.240000  0.240000  0.080000     24.000000
  0.280000  0.240000  0.080000     48.000000
  0.320000  0.240000  0.080000     48.000000
 -0.240000  0.240000  0.080000     24.000000
 -0.200000  0.240000  0.080000     48.000000
 -0.160000  0.240000  0.080000     24.000000
  0.280000  0.280000  0.080000     24.000000
  0.320000  0.280000  0.080000     24.000000
 -0.280000  0.280000  0.080000     24.000000
 -0.240000  0.280000  0.080000     48.000000
 -0.200000  0.280000  0.080000     48.000000
 -0.320000  0.320000  0.080000     24.000000
 -0.280000  0.320000  0.080000     48.000000
 -0.240000  0.320000  0.080000     48.000000
 -0.200000  0.320000  0.080000     24.000000
 -0.360000  0.360000  0.080000     24.000000
 -0.320000  0.360000  0.080000     48.000000
 -0.280000  0.360000  0.080000     48.000000
 -0.240000  0.360000  0.080000     48.000000
 -0.400000  0.400000  0.080000     24.000000
 -0.360000  0.400000  0.080000     48.000000
 -0.320000  0.400000  0.080000     48.000000
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  0.081452 -0.068921  0.000000     24.000000
  0.081452 -0.062656  0.006266     48.000000
  0.081452 -0.056390  0.012531     48.000000
  0.081452 -0.050125  0.018797     48.000000
  0.081452 -0.043859  0.025062     48.000000
  0.081452 -0.037593  0.031328     48.000000
 -0.068921 -0.068921 -0.150374     24.000000
 -0.068921 -0.062656 -0.144108     48.000000
 -0.068921 -0.056390 -0.137843     48.000000
 -0.068921 -0.050125 -0.131577     48.000000
 -0.068921 -0.043859 -0.125311     48.000000
 -0.068921 -0.037593 -0.119046     24.000000
 -0.062656 -0.062656 -0.137843     24.000000
 -0.062656 -0.056390 -0.131577     48.000000
 -0.062656 -0.050125 -0.125311     48.000000
 -0.062656 -0.043859 -0.119046     48.000000
 -0.056390 -0.056390 -0.125311     24.000000
 -0.056390 -0.050125 -0.119046     48.000000
 -0.056390 -0.043859 -0.112780     24.000000
 -0.050125 -0.050125 -0.112780     24.000000
  0.025062  0.025062  0.025062      8.000000
  0.025062  0.031328  0.031328     24.000000
  0.025062  0.037593  0.037593     24.000000
  0.025062  0.043859  0.043859     24.000000
  0.025062  0.050125  0.050125     24.000000
  0.025062  0.056390  0.056390     24.000000
  0.025062  0.062656  0.062656     24.000000
  0.025062  0.068921  0.068921     24.000000
  0.025062  0.075187  0.075187     24.000000
  0.025062  0.000000  0.000000      6.000000
  0.031328  0.031328  0.037593     24.000000
  0.031328  0.037593  0.043859     48.000000
  0.031328  0.043859  0.050125     48.000000
  0.031328  0.050125  0.056390     48.000000
  0.031328  0.056390  0.062656     48.000000
  0.031328  0.062656  0.068921     48.000000
  0.031328  0.068921  0.075187     48.000000
  0.031328  0.075187  0.081452     24.000000
  0.031328 -0.006266  0.000000     24.000000
  0.037593  0.037593  0.050125     24.000000
  0.037593  0.043859  0.056390     48.000000
  0.037593  0.050125  0.062656     48.000000
  0.037593  0.056390  0.068921     48.000000
  0.037593  0.062656  0.075187     48.000000
  0.037593  0.068921  0.081452     48.000000
  0.037593 -0.012531  0.000000     24.000000
  0.037593 -0.006266  0.006266     24.000000
  0.043859  0.043859  0.062656     24.000000
  0.043859  0.050125  0.068921     48.000000
  0.043859  0.056390  0.075187     48.000000
  0.043859  0.062656  0.081452     48.000000
  0.043859  0.068921  0.087718     24.000000
  0.043859 -0.018797  0.000000     24.000000
  0.043859 -0.012531  0.006266     48.000000
  0.050125  0.050125  0.075187     24.000000
  0.050125  0.056390  0.081452     48.000000
  0.050125  0.062656  0.087718     48.000000
  0.050125 -0.025062  0.000000     24.000000
  0.050125 -0.018797  0.006266     48.000000
  0.050125 -0.012531  0.012531     24.000000
  0.056390  0.056390  0.087718     24.000000
  0.056390  0.062656  0.093984     24.000000
  0.056390 -0.031328  0.000000     24.000000
  0.056390 -0.025062  0.006266     48.000000
  0.056390 -0.018797  0.012531     48.000000
  0.062656 -0.037593  0.000000     24.000000
  0.062656 -0.031328  0.006266     48.000000
  0.062656 -0.025062  0.012531     48.000000
  0.062656 -0.018797  0.018797     24.000000
  0.068921 -0.043859  0.000000     24.000000
  0.068921 -0.037593  0.006266     48.000000
  0.068921 -0.031328  0.012531     48.000000
  0.068921 -0.025062  0.018797     48.000000
  0.075187 -0.050125  0.000000     24.000000
  0.075187 -0.043859  0.006266     48.000000
  0.075187 -0.037593  0.012531     48.000000
  0.075187 -0.031328  0.018797     48.000000
  0.075187 -0.025062  0.025062     24.000000
  0.081452 -0.056390  0.000000     24.000000
  0.081452 -0.050125  0.006266     48.000000
  0.081452 -0.043859  0.012531     48.000000
  0.081452 -0.037593  0.018797     48.000000
  0.081452 -0.031328  0.025062     48.000000
  0.087718 -0.062656  0.000000     24.000000
  0.087718 -0.056390  0.006266     48.000000
  0.087718 -0.050125  0.012531     48.000000
  0.087718 -0.043859  0.018797     48.000000
  0.087718 -0.037593  0.025062     48.000000
  0.087718 -0.031328  0.031328     24.000000
 -0.062656 -0.062656 -0.150374     24.000000
 -0.062656 -0.056390 -0.144108     48.000000
 -0.062656 -0.050125 -0.137843     48.000000
 -0.062656 -0.043859 -0.131577     48.000000
 -0.062656 -0.037593 -0.125311     48.000000
 -0.056390 -0.056390 -0.137843     24.000000
 -0.056390 -0.050125 -0.131577     48.000000
 -0.056390 -0.043859 -0.125311     48.000000
 -0.056390 -0.037593 -0.119046     24.000000
 -0.050125 -0.050125 -0.125311     24.000000
 -0.050125 -0.043859 -0.119046     48.000000
 -0.043859 -0.043859 -0.112780      8.000000
  0.037593  0.037593  0.037593      8.000000
  0.037593  0.043859  0.043859     24.000000
  0.037593  0.050125  0.050125     24.000000
  0.037593  0.056390  0.056390     24.000000
  0.037593  0.062656  0.062656     24.000000
  0.037593  0.068921  0.068921     24.000000
  0.037593  0.075187  0.075187     24.000000
  0.037593  0.000000  0.000000      6.000000
  0.043859  0.043859  0.050125     24.000000
  0.043859  0.050125  0.056390     48.000000
  0.043859  0.056390  0.062656     48.000000
  0.043859  0.062656  0.068921     48.000000
  0.043859  0.068921  0.075187     48.000000
  0.043859  0.075187  0.081452     24.000000
  0.043859 -0.006266  0.000000     24.000000
  0.050125  0.050125  0.062656     24.000000
  0.050125  0.056390  0.068921     48.000000
  0.050125  0.062656  0.075187     48.000000
  0.050125  0.068921  0.081452     48.000000
  0.050125 -0.012531  0.000000     24.000000
  0.050125 -0.006266  0.006266     24.000000
  0.056390  0.056390  0.075187     24.000000
  0.056390  0.062656  0.081452     48.000000
  0.056390  0.068921  0.087718     24.000000
  0.056390 -0.018797  0.000000     24.000000
  0.056390 -0.012531  0.006266     48.000000
  0.062656  0.062656  0.087718     24.000000
  0.062656 -0.025062  0.000000     24.000000
  0.062656 -0.018797  0.006266     48.000000
  0.062656 -0.012531  0.012531     24.000000
  0.068921 -0.031328  0.000000     24.000000
  0.068921 -0.025062  0.006266     48.000000
  0.068921 -0.018797  0.012531     48.000000
  0.075187 -0.037593  0.000000     24.000000
  0.075187 -0.031328  0.006266     48.000000
  0.075187 -0.025062  0.012531     48.000000
  0.075187 -0.018797  0.018797     24.000000
  0.081452 -0.043859  0.000000     24.000000
  0.081452 -0.037593  0.006266     48.000000
  0.081452 -0.031328  0.012531     48.000000
  0.081452 -0.025062  0.018797     48.000000
  0.087718 -0.050125  0.000000     24.000000
  0.087718 -0.043859  0.006266     48.000000
  0.087718 -0.037593  0.012531     48.000000
  0.087718 -0.031328  0.018797     48.000000
  0.087718 -0.025062  0.025062     24.000000
  0.093984 -0.056390  0.000000     24.000000
  0.093984 -0.050125  0.006266     48.000000
  0.093984 -0.043859  0.012531     48.000000
  0.093984 -0.037593  0.018797     48.000000
  0.093984 -0.031328  0.025062     48.000000
 -0.056390 -0.056390 -0.150374     24.000000
 -0.056390 -0.050125 -0.144108     48.000000
 -0.056390 -0.043859 -0.137843     48.000000
 -0.056390 -0.037593 -0.131577     48.000000
 -0.056390 -0.031328 -0.125311     24.000000
 -0.050125 -0.050125 -0.137843     24.000000
 -0.050125 -0.043859 -0.131577     48.000000
 -0.050125 -0.037593 -0.125311     48.000000
 -0.043859 -0.043859 -0.125311     24.000000
 -0.043859 -0.037593 -0.119046     24.000000
  0.050125  0.050125  0.050125      8.000000
  0.050125  0.056390  0.056390     24.000000
  0.050125  0.062656  0.062656     24.000000
  0.050125  0.068921  0.068921     24.000000
  0.050125  0.075187  0.075187     24.000000
  0.050125  0.000000  0.000000      6.000000
  0.056390  0.056390  0.062656     24.000000
  0.056390  0.062656  0.068921     48.000000
  0.056390  0.068921  0.075187     48.000000
  0.056390  0.075187  0.081452     24.000000
  0.056390 -0.006266  0.000000     24.000000
  0.062656  0.062656  0.075187     24.000000
  0.062656  0.068921  0.081452     48.000000
  0.062656 -0.012531  0.000000     24.000000
  0.062656 -0.006266  0.006266     24.000000
  0.068921  0.068921  0.087718      8.000000
  0.068921 -0.018797  0.000000     24.000000
  0.068921 -0.012531  0.006266     48.000000
  0.075187 -0.025062  0.000000     24.000000
  0.075187 -0.018797  0.006266     48.000000
  0.075187 -0.012531  0.012531     24.000000
  0.081452 -0.031328  0.000000     24.000000
  0.081452 -0.025062  0.006266     48.000000
  0.081452 -0.018797  0.012531     48.000000
  0.087718 -0.037593  0.000000     24.000000
  0.087718 -0.031328  0.006266     48.000000
  0.087718 -0.025062  0.012531     48.000000
  0.087718 -0.018797  0.018797     24.000000
  0.093984 -0.043859  0.000000     24.000000
  0.093984 -0.037593  0.006266     48.000000
  0.093984 -0.031328  0.012531     48.000000
  0.093984 -0.025062  0.018797     48.000000
  0.100249 -0.050125  0.000000     24.000000
  0.100249 -0.043859  0.006266     48.000000
  0.100249 -0.037593  0.012531     48.000000
  0.100249 -0.031328  0.018797     48.000000
  0.100249 -0.025062  0.025062     24.000000
 -0.050125 -0.050125 -0.150374     24.000000
 -0.050125 -0.043859 -0.144108     48.000000
 -0.050125 -0.037593 -0.137843     48.000000
 -0.050125 -0.031328 -0.131577     48.000000
 -0.043859 -0.043859 -0.137843     24.000000
 -0.043859 -0.037593 -0.131577     48.000000
 -0.043859 -0.031328 -0.125311     24.000000
 -0.037593 -0.037593 -0.125311     24.000000
  0.062656  0.062656  0.062656      8.000000
  0.062656  0.068921  0.068921     24.000000
  0.062656  0.075187  0.075187     24.000000
  0.062656  0.000000  0.000000      6.000000
  0.068921  0.068921  0.075187     24.000000
  0.068921  0.075187  0.081452     24.000000
  0.068921 -0.006266  0.000000     24.000000
  0.075187 -0.012531  0.000000     24.000000
  0.075187 -0.006266  0.006266     24.000000
  0.081452 -0.018797  0.000000     24.000000
  0.081452 -0.012531  0.006266     48.000000
  0.087718 -0.025062  0.000000     24.000000
  0.087718 -0.018797  0.006266     48.000000
  0.087718 -0.012531  0.012531     24.000000
  0.093984 -0.031328  0.000000     24.000000
  0.093984 -0.025062  0.006266     48.000000
  0.093984 -0.018797  0.012531     48.000000
  0.100249 -0.037593  0.000000     24.000000
  0.100249 -0.031328  0.006266     48.000000
  0.100249 -0.025062  0.012531     48.000000
  0.100249 -0.018797  0.018797     24.000000
  0.106515 -0.043859  0.000000     24.000000
  0.106515 -0.037593  0.006266     48.000000
  0.106515 -0.031328  0.012531     48.000000
  0.106515 -0.025062  0.018797     48.000000
 -0.043859 -0.043859 -0.150374     24.000000
 -0.043859 -0.037593 -0.144108     48.000000
 -0.043859 -0.031328 -0.137843     48.000000
 -0.043859 -0.025062 -0.131577     24.000000
 -0.037593 -0.037593 -0.137843     24.000000
 -0.037593 -0.031328 -0.131577     48.000000
 -0.031328 -0.031328 -0.125311      8.000000
  0.075187  0.075187  0.075187      8.000000
  0.075187  0.000000  0.000000      6.000000
  0.081452 -0.006266  0.000000     24.000000
  0.087718 -0.012531  0.000000     24.000000
  0.087718 -0.006266  0.006266     24.000000
  0.093984 -0.018797  0.000000     24.000000
  0.093984 -0.012531  0.006266     48.000000
  0.100249 -0.025062  0.000000     24.000000
  0.100249 -0.018797  0.006266     48.000000
  0.100249 -0.012531  0.012531     24.000000
  0.106515 -0.031328  0.000000     24.000000
  0.106515 -0.025062  0.006266     48.000000
  0.106515 -0.018797  0.012531     48.000000
  0.112780 -0.037593  0.000000     24.000000
  0.112780 -0.031328  0.006266     48.000000
  0.112780 -0.025062  0.012531     48.000000
  0.112780 -0.018797  0.018797     24.000000
 -0.037593 -0.037593 -0.150374     24.000000
 -0.037593 -0.031328 -0.144108     48.000000
 -0.037593 -0.025062 -0.137843     48.000000
 -0.031328 -0.031328 -0.137843     24.000000
 -0.031328 -0.025062 -0.131577     24.000000
  0.087718  0.000000  0.000000      6.000000
  0.093984 -0.006266  0.000000     24.000000
  0.100249 -0.012531  0.000000     24.000000
  0.100249 -0.006266  0.006266     24.000000
  0.106515 -0.018797  0.000000     24.000000
  0.106515 -0.012531  0.006266     48.000000
  0.112780 -0.025062  0.000000     24.000000
  0.112780 -0.018797  0.006266     48.000000
  0.112780 -0.012531  0.012531     24.000000
  0.119046 -0.031328  0.000000     24.000000
  0.119046 -0.025062  0.006266     48.000000
  0.119046 -0.018797  0.012531     48.000000
 -0.031328 -0.031328 -0.150374     24.000000
 -0.031328 -0.025062 -0.144108     48.000000
 -0.031328 -0.018797 -0.137843     24.000000
 -0.025062 -0.025062 -0.137843     24.000000
  0.100249  0.000000  0.000000      6.000000
  0.106515 -0.006266  0.000000     24.000000
  0.112780 -0.012531  0.000000     24.000000
  0.112780 -0.006266  0.006266     24.000000
  0.119046 -0.018797  0.000000     24.000000
  0.119046 -0.012531  0.006266     48.000000
  0.125311 -0.025062  0.000000     24.000000
  0.125311 -0.018797  0.006266     48.000000
  0.125311 -0.012531  0.012531     24.000000
 -0.025062 -0.025062 -0.150374     24.000000
 -0.025062 -0.018797 -0.144108     48.000000
 -0.018797 -0.018797 -0.137843      8.000000
  0.112780  0.000000  0.000000      6.000000
  0.119046 -0.006266  0.000000     24.000000
  0.125311 -0.012531  0.000000     24.000000
  0.125311 -0.006266  0.006266     24.000000
  0.131577 -0.018797  0.000000     24.000000
  0.131577 -0.012531  0.006266     48.000000
 -0.018797 -0.018797 -0.150374     24.000000
 -0.018797 -0.012531 -0.144108     24.000000
  0.125311  0.000000  0.000000      6.000000
  0.131577 -0.006266  0.000000     24.000000
  0.137843 -0.012531  0.000000     24.000000
  0.137843 -0.006266  0.006266     24.000000
 -0.012531 -0.012531 -0.150374     24.000000
  0.137843  0.000000  0.000000      6.000000
  0.144108 -0.006266  0.000000     24.000000
 -0.006266 -0.006266 -0.150374      8.000000
  0.150374  0.000000  0.000000      6.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found  15625 k-points in 1st BZ
 the following  15625 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00006400   1 t-inv F
  0.040000  0.000000  0.000000    0.00006400   2 t-inv F
  0.080000  0.000000  0.000000    0.00006400   3 t-inv F
  0.120000  0.000000  0.000000    0.00006400   4 t-inv F
  0.160000  0.000000  0.000000    0.00006400   5 t-inv F
  0.200000  0.000000  0.000000    0.00006400   6 t-inv F
  0.240000  0.000000  0.000000    0.00006400   7 t-inv F
  0.280000  0.000000  0.000000    0.00006400   8 t-inv F
  0.320000  0.000000  0.000000    0.00006400   9 t-inv F
  0.360000  0.000000  0.000000    0.00006400  10 t-inv F
  0.400000  0.000000  0.000000    0.00006400  11 t-inv F
  0.440000  0.000000  0.000000    0.00006400  12 t-inv F
  0.480000  0.000000  0.000000    0.00006400  13 t-inv F
  0.040000  0.040000  0.000000    0.00006400  14 t-inv F
  0.080000  0.040000  0.000000    0.00006400  15 t-inv F
  0.120000  0.040000  0.000000    0.00006400  16 t-inv F
  0.160000  0.040000  0.000000    0.00006400  17 t-inv F
  0.200000  0.040000  0.000000    0.00006400  18 t-inv F
  0.240000  0.040000  0.000000    0.00006400  19 t-inv F
  0.280000  0.040000  0.000000    0.00006400  20 t-inv F
  0.320000  0.040000  0.000000    0.00006400  21 t-inv F
  0.360000  0.040000  0.000000    0.00006400  22 t-inv F
  0.400000  0.040000  0.000000    0.00006400  23 t-inv F
  0.440000  0.040000  0.000000    0.00006400  24 t-inv F
  0.480000  0.040000  0.000000    0.00006400  25 t-inv F
  0.080000  0.080000  0.000000    0.00006400  26 t-inv F
  0.120000  0.080000  0.000000    0.00006400  27 t-inv F
  0.160000  0.080000  0.000000    0.00006400  28 t-inv F
  0.200000  0.080000  0.000000    0.00006400  29 t-inv F
  0.240000  0.080000  0.000000    0.00006400  30 t-inv F
  0.280000  0.080000  0.000000    0.00006400  31 t-inv F
  0.320000  0.080000  0.000000    0.00006400  32 t-inv F
  0.360000  0.080000  0.000000    0.00006400  33 t-inv F
  0.400000  0.080000  0.000000    0.00006400  34 t-inv F
  0.440000  0.080000  0.000000    0.00006400  35 t-inv F
  0.120000  0.120000  0.000000    0.00006400  36 t-inv F
  0.160000  0.120000  0.000000    0.00006400  37 t-inv F
  0.200000  0.120000  0.000000    0.00006400  38 t-inv F
  0.240000  0.120000  0.000000    0.00006400  39 t-inv F
  0.280000  0.120000  0.000000    0.00006400  40 t-inv F
  0.320000  0.120000  0.000000    0.00006400  41 t-inv F
  0.360000  0.120000  0.000000    0.00006400  42 t-inv F
  0.400000  0.120000  0.000000    0.00006400  43 t-inv F
  0.440000  0.120000  0.000000    0.00006400  44 t-inv F
  0.160000  0.160000  0.000000    0.00006400  45 t-inv F
  0.200000  0.160000  0.000000    0.00006400  46 t-inv F
  0.240000  0.160000  0.000000    0.00006400  47 t-inv F
  0.280000  0.160000  0.000000    0.00006400  48 t-inv F
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  0.440000 -0.400000 -0.400000    0.00006400 442 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    455   k-points in BZ     NKDIM =    455   number of bands    NBANDS=      6
   number of dos      NEDOS =    301   number of ions     NIONS =      1
   non local maximal  LDIM  =      3   non local SUM 2l+1 LMDIM =      5
   total plane-waves  NPLWV = 110592
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  20539
   dimension x,y,z NGX =    48 NGY =   48 NGZ =   48
   dimension x,y,z NGXF=    60 NGYF=   60 NGZF=   60
   support grid    NGXF=   120 NGYF=  120 NGZF=  120
   ions per type =               1
   NGX,Y,Z   is equivalent  to a cutoff of  14.43, 14.43, 14.43 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  18.04, 18.04, 18.04 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Li                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = high      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  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  623.8 eV  45.85 Ry    6.77 a.u.  11.26 11.26 11.26*2*pi/ulx,y,z
   ENINI  =  623.8     initial cutoff
   ENAUG  =  628.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-03   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
 Ionic relaxation
   EDIFFG = 0.1E-02   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      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=  -0.699E-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 =   7.01
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       3.0000    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 =  0.42E-05  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =     130.10       877.94
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.465971  0.880558  2.954223  0.217129
  Thomas-Fermi vector in A             =   1.455571

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      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    =     T    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
 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            4
 reciprocal scheme for non local part
 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  :      623.79
  volume of cell :      130.10
      direct lattice vectors                 reciprocal lattice vectors
    -3.192047850  3.192047850  3.192047850     0.000000000  0.156639256  0.156639256
     3.192047850 -3.192047850  3.192047850     0.156639256  0.000000000  0.156639256
     3.192047850  3.192047850 -3.192047850     0.156639256  0.156639256  0.000000000

  length of vectors
     5.528789056  5.528789056  5.528789056     0.221521360  0.221521360  0.221521360



 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.00000000  0.00626557  0.00626557       0.001
   0.00000000  0.01253114  0.01253114       0.001
   0.00000000  0.01879671  0.01879671       0.001
   0.00000000  0.02506228  0.02506228       0.001
   0.00000000  0.03132785  0.03132785       0.001
   0.00000000  0.03759342  0.03759342       0.001
   0.00000000  0.04385899  0.04385899       0.001
   0.00000000  0.05012456  0.05012456       0.001
   0.00000000  0.05639013  0.05639013       0.001
   0.00000000  0.06265570  0.06265570       0.001
   0.00000000  0.06892127  0.06892127       0.001
   0.00000000  0.07518684  0.07518684       0.001
   0.00626557  0.00626557  0.01253114       0.002
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   0.03759342 -0.01879671  0.00626557       0.003
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   0.02506228  0.03759342  0.03759342       0.002
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   0.02506228  0.05012456  0.05012456       0.002
   0.02506228  0.05639013  0.05639013       0.002
   0.02506228  0.06265570  0.06265570       0.002
   0.02506228  0.06892127  0.06892127       0.002
   0.02506228  0.07518684  0.07518684       0.002
   0.02506228  0.00000000  0.00000000       0.000
   0.03132785  0.03132785  0.03759342       0.002
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   0.04385899  0.06892127  0.08771798       0.002
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   0.05012456  0.05639013  0.08145241       0.003
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   0.07518684 -0.05012456  0.00000000       0.002
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   0.08145241 -0.03132785  0.02506228       0.003
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  -0.06265570 -0.05012456 -0.13784255       0.003
  -0.06265570 -0.04385899 -0.13157697       0.003
  -0.06265570 -0.03759342 -0.12531140       0.003
  -0.05639013 -0.05639013 -0.13784255       0.002
  -0.05639013 -0.05012456 -0.13157697       0.003
  -0.05639013 -0.04385899 -0.12531140       0.003
  -0.05639013 -0.03759342 -0.11904583       0.002
  -0.05012456 -0.05012456 -0.12531140       0.002
  -0.05012456 -0.04385899 -0.11904583       0.003
  -0.04385899 -0.04385899 -0.11278026       0.001
   0.03759342  0.03759342  0.03759342       0.001
   0.03759342  0.04385899  0.04385899       0.002
   0.03759342  0.05012456  0.05012456       0.002
   0.03759342  0.05639013  0.05639013       0.002
   0.03759342  0.06265570  0.06265570       0.002
   0.03759342  0.06892127  0.06892127       0.002
   0.03759342  0.07518684  0.07518684       0.002
   0.03759342  0.00000000  0.00000000       0.000
   0.04385899  0.04385899  0.05012456       0.002
   0.04385899  0.05012456  0.05639013       0.003
   0.04385899  0.05639013  0.06265570       0.003
   0.04385899  0.06265570  0.06892127       0.003
   0.04385899  0.06892127  0.07518684       0.003
   0.04385899  0.07518684  0.08145241       0.002
   0.04385899 -0.00626557  0.00000000       0.002
   0.05012456  0.05012456  0.06265570       0.002
   0.05012456  0.05639013  0.06892127       0.003
   0.05012456  0.06265570  0.07518684       0.003
   0.05012456  0.06892127  0.08145241       0.003
   0.05012456 -0.01253114  0.00000000       0.002
   0.05012456 -0.00626557  0.00626557       0.002
   0.05639013  0.05639013  0.07518684       0.002
   0.05639013  0.06265570  0.08145241       0.003
   0.05639013  0.06892127  0.08771798       0.002
   0.05639013 -0.01879671  0.00000000       0.002
   0.05639013 -0.01253114  0.00626557       0.003
   0.06265570  0.06265570  0.08771798       0.002
   0.06265570 -0.02506228  0.00000000       0.002
   0.06265570 -0.01879671  0.00626557       0.003
   0.06265570 -0.01253114  0.01253114       0.002
   0.06892127 -0.03132785  0.00000000       0.002
   0.06892127 -0.02506228  0.00626557       0.003
   0.06892127 -0.01879671  0.01253114       0.003
   0.07518684 -0.03759342  0.00000000       0.002
   0.07518684 -0.03132785  0.00626557       0.003
   0.07518684 -0.02506228  0.01253114       0.003
   0.07518684 -0.01879671  0.01879671       0.002
   0.08145241 -0.04385899  0.00000000       0.002
   0.08145241 -0.03759342  0.00626557       0.003
   0.08145241 -0.03132785  0.01253114       0.003
   0.08145241 -0.02506228  0.01879671       0.003
   0.08771798 -0.05012456  0.00000000       0.002
   0.08771798 -0.04385899  0.00626557       0.003
   0.08771798 -0.03759342  0.01253114       0.003
   0.08771798 -0.03132785  0.01879671       0.003
   0.08771798 -0.02506228  0.02506228       0.002
   0.09398355 -0.05639013  0.00000000       0.002
   0.09398355 -0.05012456  0.00626557       0.003
   0.09398355 -0.04385899  0.01253114       0.003
   0.09398355 -0.03759342  0.01879671       0.003
   0.09398355 -0.03132785  0.02506228       0.003
  -0.05639013 -0.05639013 -0.15037369       0.002
  -0.05639013 -0.05012456 -0.14410812       0.003
  -0.05639013 -0.04385899 -0.13784255       0.003
  -0.05639013 -0.03759342 -0.13157697       0.003
  -0.05639013 -0.03132785 -0.12531140       0.002
  -0.05012456 -0.05012456 -0.13784255       0.002
  -0.05012456 -0.04385899 -0.13157697       0.003
  -0.05012456 -0.03759342 -0.12531140       0.003
  -0.04385899 -0.04385899 -0.12531140       0.002
  -0.04385899 -0.03759342 -0.11904583       0.002
   0.05012456  0.05012456  0.05012456       0.001
   0.05012456  0.05639013  0.05639013       0.002
   0.05012456  0.06265570  0.06265570       0.002
   0.05012456  0.06892127  0.06892127       0.002
   0.05012456  0.07518684  0.07518684       0.002
   0.05012456  0.00000000  0.00000000       0.000
   0.05639013  0.05639013  0.06265570       0.002
   0.05639013  0.06265570  0.06892127       0.003
   0.05639013  0.06892127  0.07518684       0.003
   0.05639013  0.07518684  0.08145241       0.002
   0.05639013 -0.00626557  0.00000000       0.002
   0.06265570  0.06265570  0.07518684       0.002
   0.06265570  0.06892127  0.08145241       0.003
   0.06265570 -0.01253114  0.00000000       0.002
   0.06265570 -0.00626557  0.00626557       0.002
   0.06892127  0.06892127  0.08771798       0.001
   0.06892127 -0.01879671  0.00000000       0.002
   0.06892127 -0.01253114  0.00626557       0.003
   0.07518684 -0.02506228  0.00000000       0.002
   0.07518684 -0.01879671  0.00626557       0.003
   0.07518684 -0.01253114  0.01253114       0.002
   0.08145241 -0.03132785  0.00000000       0.002
   0.08145241 -0.02506228  0.00626557       0.003
   0.08145241 -0.01879671  0.01253114       0.003
   0.08771798 -0.03759342  0.00000000       0.002
   0.08771798 -0.03132785  0.00626557       0.003
   0.08771798 -0.02506228  0.01253114       0.003
   0.08771798 -0.01879671  0.01879671       0.002
   0.09398355 -0.04385899  0.00000000       0.002
   0.09398355 -0.03759342  0.00626557       0.003
   0.09398355 -0.03132785  0.01253114       0.003
   0.09398355 -0.02506228  0.01879671       0.003
   0.10024912 -0.05012456  0.00000000       0.002
   0.10024912 -0.04385899  0.00626557       0.003
   0.10024912 -0.03759342  0.01253114       0.003
   0.10024912 -0.03132785  0.01879671       0.003
   0.10024912 -0.02506228  0.02506228       0.002
  -0.05012456 -0.05012456 -0.15037369       0.002
  -0.05012456 -0.04385899 -0.14410812       0.003
  -0.05012456 -0.03759342 -0.13784255       0.003
  -0.05012456 -0.03132785 -0.13157697       0.003
  -0.04385899 -0.04385899 -0.13784255       0.002
  -0.04385899 -0.03759342 -0.13157697       0.003
  -0.04385899 -0.03132785 -0.12531140       0.002
  -0.03759342 -0.03759342 -0.12531140       0.002
   0.06265570  0.06265570  0.06265570       0.001
   0.06265570  0.06892127  0.06892127       0.002
   0.06265570  0.07518684  0.07518684       0.002
   0.06265570  0.00000000  0.00000000       0.000
   0.06892127  0.06892127  0.07518684       0.002
   0.06892127  0.07518684  0.08145241       0.002
   0.06892127 -0.00626557  0.00000000       0.002
   0.07518684 -0.01253114  0.00000000       0.002
   0.07518684 -0.00626557  0.00626557       0.002
   0.08145241 -0.01879671  0.00000000       0.002
   0.08145241 -0.01253114  0.00626557       0.003
   0.08771798 -0.02506228  0.00000000       0.002
   0.08771798 -0.01879671  0.00626557       0.003
   0.08771798 -0.01253114  0.01253114       0.002
   0.09398355 -0.03132785  0.00000000       0.002
   0.09398355 -0.02506228  0.00626557       0.003
   0.09398355 -0.01879671  0.01253114       0.003
   0.10024912 -0.03759342  0.00000000       0.002
   0.10024912 -0.03132785  0.00626557       0.003
   0.10024912 -0.02506228  0.01253114       0.003
   0.10024912 -0.01879671  0.01879671       0.002
   0.10651469 -0.04385899  0.00000000       0.002
   0.10651469 -0.03759342  0.00626557       0.003
   0.10651469 -0.03132785  0.01253114       0.003
   0.10651469 -0.02506228  0.01879671       0.003
  -0.04385899 -0.04385899 -0.15037369       0.002
  -0.04385899 -0.03759342 -0.14410812       0.003
  -0.04385899 -0.03132785 -0.13784255       0.003
  -0.04385899 -0.02506228 -0.13157697       0.002
  -0.03759342 -0.03759342 -0.13784255       0.002
  -0.03759342 -0.03132785 -0.13157697       0.003
  -0.03132785 -0.03132785 -0.12531140       0.001
   0.07518684  0.07518684  0.07518684       0.001
   0.07518684  0.00000000  0.00000000       0.000
   0.08145241 -0.00626557  0.00000000       0.002
   0.08771798 -0.01253114  0.00000000       0.002
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   0.09398355 -0.01879671  0.00000000       0.002
   0.09398355 -0.01253114  0.00626557       0.003
   0.10024912 -0.02506228  0.00000000       0.002
   0.10024912 -0.01879671  0.00626557       0.003
   0.10024912 -0.01253114  0.01253114       0.002
   0.10651469 -0.03132785  0.00000000       0.002
   0.10651469 -0.02506228  0.00626557       0.003
   0.10651469 -0.01879671  0.01253114       0.003
   0.11278026 -0.03759342  0.00000000       0.002
   0.11278026 -0.03132785  0.00626557       0.003
   0.11278026 -0.02506228  0.01253114       0.003
   0.11278026 -0.01879671  0.01879671       0.002
  -0.03759342 -0.03759342 -0.15037369       0.002
  -0.03759342 -0.03132785 -0.14410812       0.003
  -0.03759342 -0.02506228 -0.13784255       0.003
  -0.03132785 -0.03132785 -0.13784255       0.002
  -0.03132785 -0.02506228 -0.13157697       0.002
   0.08771798  0.00000000  0.00000000       0.000
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   0.10024912 -0.01253114  0.00000000       0.002
   0.10024912 -0.00626557  0.00626557       0.002
   0.10651469 -0.01879671  0.00000000       0.002
   0.10651469 -0.01253114  0.00626557       0.003
   0.11278026 -0.02506228  0.00000000       0.002
   0.11278026 -0.01879671  0.00626557       0.003
   0.11278026 -0.01253114  0.01253114       0.002
   0.11904583 -0.03132785  0.00000000       0.002
   0.11904583 -0.02506228  0.00626557       0.003
   0.11904583 -0.01879671  0.01253114       0.003
  -0.03132785 -0.03132785 -0.15037369       0.002
  -0.03132785 -0.02506228 -0.14410812       0.003
  -0.03132785 -0.01879671 -0.13784255       0.002
  -0.02506228 -0.02506228 -0.13784255       0.002
   0.10024912  0.00000000  0.00000000       0.000
   0.10651469 -0.00626557  0.00000000       0.002
   0.11278026 -0.01253114  0.00000000       0.002
   0.11278026 -0.00626557  0.00626557       0.002
   0.11904583 -0.01879671  0.00000000       0.002
   0.11904583 -0.01253114  0.00626557       0.003
   0.12531140 -0.02506228  0.00000000       0.002
   0.12531140 -0.01879671  0.00626557       0.003
   0.12531140 -0.01253114  0.01253114       0.002
  -0.02506228 -0.02506228 -0.15037369       0.002
  -0.02506228 -0.01879671 -0.14410812       0.003
  -0.01879671 -0.01879671 -0.13784255       0.001
   0.11278026  0.00000000  0.00000000       0.000
   0.11904583 -0.00626557  0.00000000       0.002
   0.12531140 -0.01253114  0.00000000       0.002
   0.12531140 -0.00626557  0.00626557       0.002
   0.13157697 -0.01879671  0.00000000       0.002
   0.13157697 -0.01253114  0.00626557       0.003
  -0.01879671 -0.01879671 -0.15037369       0.002
  -0.01879671 -0.01253114 -0.14410812       0.002
   0.12531140  0.00000000  0.00000000       0.000
   0.13157697 -0.00626557  0.00000000       0.002
   0.13784255 -0.01253114  0.00000000       0.002
   0.13784255 -0.00626557  0.00626557       0.002
  -0.01253114 -0.01253114 -0.15037369       0.002
   0.13784255  0.00000000  0.00000000       0.000
   0.14410812 -0.00626557  0.00000000       0.002
  -0.00626557 -0.00626557 -0.15037369       0.001
   0.15037369  0.00000000  0.00000000       0.000

 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.04000000  0.00000000  0.00000000       0.001
   0.08000000  0.00000000  0.00000000       0.001
   0.12000000  0.00000000  0.00000000       0.001
   0.16000000  0.00000000  0.00000000       0.001
   0.20000000  0.00000000  0.00000000       0.001
   0.24000000  0.00000000  0.00000000       0.001
   0.28000000  0.00000000  0.00000000       0.001
   0.32000000  0.00000000  0.00000000       0.001
   0.36000000  0.00000000  0.00000000       0.001
   0.40000000  0.00000000  0.00000000       0.001
   0.44000000  0.00000000  0.00000000       0.001
   0.48000000  0.00000000  0.00000000       0.001
   0.04000000  0.04000000  0.00000000       0.002
   0.08000000  0.04000000  0.00000000       0.003
   0.12000000  0.04000000  0.00000000       0.003
   0.16000000  0.04000000  0.00000000       0.003
   0.20000000  0.04000000  0.00000000       0.003
   0.24000000  0.04000000  0.00000000       0.003
   0.28000000  0.04000000  0.00000000       0.003
   0.32000000  0.04000000  0.00000000       0.003
   0.36000000  0.04000000  0.00000000       0.003
   0.40000000  0.04000000  0.00000000       0.003
   0.44000000  0.04000000  0.00000000       0.003
   0.48000000  0.04000000  0.00000000       0.002
   0.08000000  0.08000000  0.00000000       0.002
   0.12000000  0.08000000  0.00000000       0.003
   0.16000000  0.08000000  0.00000000       0.003
   0.20000000  0.08000000  0.00000000       0.003
   0.24000000  0.08000000  0.00000000       0.003
   0.28000000  0.08000000  0.00000000       0.003
   0.32000000  0.08000000  0.00000000       0.003
   0.36000000  0.08000000  0.00000000       0.003
   0.40000000  0.08000000  0.00000000       0.003
   0.44000000  0.08000000  0.00000000       0.003
   0.12000000  0.12000000  0.00000000       0.002
   0.16000000  0.12000000  0.00000000       0.003
   0.20000000  0.12000000  0.00000000       0.003
   0.24000000  0.12000000  0.00000000       0.003
   0.28000000  0.12000000  0.00000000       0.003
   0.32000000  0.12000000  0.00000000       0.003
   0.36000000  0.12000000  0.00000000       0.003
   0.40000000  0.12000000  0.00000000       0.003
   0.44000000  0.12000000  0.00000000       0.002
   0.16000000  0.16000000  0.00000000       0.002
   0.20000000  0.16000000  0.00000000       0.003
   0.24000000  0.16000000  0.00000000       0.003
   0.28000000  0.16000000  0.00000000       0.003
   0.32000000  0.16000000  0.00000000       0.003
   0.36000000  0.16000000  0.00000000       0.003
   0.40000000  0.16000000  0.00000000       0.003
   0.20000000  0.20000000  0.00000000       0.002
   0.24000000  0.20000000  0.00000000       0.003
   0.28000000  0.20000000  0.00000000       0.003
   0.32000000  0.20000000  0.00000000       0.003
   0.36000000  0.20000000  0.00000000       0.003
   0.40000000  0.20000000  0.00000000       0.002
   0.24000000  0.24000000  0.00000000       0.002
   0.28000000  0.24000000  0.00000000       0.003
   0.32000000  0.24000000  0.00000000       0.003
   0.36000000  0.24000000  0.00000000       0.003
   0.28000000  0.28000000  0.00000000       0.002
   0.32000000  0.28000000  0.00000000       0.003
   0.36000000  0.28000000  0.00000000       0.002
   0.32000000  0.32000000  0.00000000       0.002
   0.04000000  0.04000000  0.04000000       0.001
   0.08000000  0.04000000  0.04000000       0.002
   0.12000000  0.04000000  0.04000000       0.002
   0.16000000  0.04000000  0.04000000       0.002
   0.20000000  0.04000000  0.04000000       0.002
   0.24000000  0.04000000  0.04000000       0.002
   0.28000000  0.04000000  0.04000000       0.002
   0.32000000  0.04000000  0.04000000       0.002
   0.36000000  0.04000000  0.04000000       0.002
   0.40000000  0.04000000  0.04000000       0.002
   0.44000000  0.04000000  0.04000000       0.002
  -0.04000000  0.04000000  0.04000000       0.000
   0.08000000  0.08000000  0.04000000       0.002
   0.12000000  0.08000000  0.04000000       0.003
   0.16000000  0.08000000  0.04000000       0.003
   0.20000000  0.08000000  0.04000000       0.003
   0.24000000  0.08000000  0.04000000       0.003
   0.28000000  0.08000000  0.04000000       0.003
   0.32000000  0.08000000  0.04000000       0.003
   0.36000000  0.08000000  0.04000000       0.003
   0.40000000  0.08000000  0.04000000       0.003
   0.44000000  0.08000000  0.04000000       0.002
  -0.08000000  0.08000000  0.04000000       0.002
   0.12000000  0.12000000  0.04000000       0.002
   0.16000000  0.12000000  0.04000000       0.003
   0.20000000  0.12000000  0.04000000       0.003
   0.24000000  0.12000000  0.04000000       0.003
   0.28000000  0.12000000  0.04000000       0.003
   0.32000000  0.12000000  0.04000000       0.003
   0.36000000  0.12000000  0.04000000       0.003
   0.40000000  0.12000000  0.04000000       0.003
  -0.12000000  0.12000000  0.04000000       0.002
  -0.08000000  0.12000000  0.04000000       0.002
   0.16000000  0.16000000  0.04000000       0.002
   0.20000000  0.16000000  0.04000000       0.003
   0.24000000  0.16000000  0.04000000       0.003
   0.28000000  0.16000000  0.04000000       0.003
   0.32000000  0.16000000  0.04000000       0.003
   0.36000000  0.16000000  0.04000000       0.003
   0.40000000  0.16000000  0.04000000       0.002
  -0.16000000  0.16000000  0.04000000       0.002
  -0.12000000  0.16000000  0.04000000       0.003
   0.20000000  0.20000000  0.04000000       0.002
   0.24000000  0.20000000  0.04000000       0.003
   0.28000000  0.20000000  0.04000000       0.003
   0.32000000  0.20000000  0.04000000       0.003
   0.36000000  0.20000000  0.04000000       0.003
  -0.20000000  0.20000000  0.04000000       0.002
  -0.16000000  0.20000000  0.04000000       0.003
  -0.12000000  0.20000000  0.04000000       0.002
   0.24000000  0.24000000  0.04000000       0.002
   0.28000000  0.24000000  0.04000000       0.003
   0.32000000  0.24000000  0.04000000       0.003
   0.36000000  0.24000000  0.04000000       0.002
  -0.24000000  0.24000000  0.04000000       0.002
  -0.20000000  0.24000000  0.04000000       0.003
  -0.16000000  0.24000000  0.04000000       0.003
   0.28000000  0.28000000  0.04000000       0.002
   0.32000000  0.28000000  0.04000000       0.003
  -0.28000000  0.28000000  0.04000000       0.002
  -0.24000000  0.28000000  0.04000000       0.003
  -0.20000000  0.28000000  0.04000000       0.003
  -0.16000000  0.28000000  0.04000000       0.002
   0.32000000  0.32000000  0.04000000       0.001
  -0.32000000  0.32000000  0.04000000       0.002
  -0.28000000  0.32000000  0.04000000       0.003
  -0.24000000  0.32000000  0.04000000       0.003
  -0.20000000  0.32000000  0.04000000       0.003
  -0.36000000  0.36000000  0.04000000       0.002
  -0.32000000  0.36000000  0.04000000       0.003
  -0.28000000  0.36000000  0.04000000       0.003
  -0.24000000  0.36000000  0.04000000       0.003
  -0.20000000  0.36000000  0.04000000       0.002
  -0.40000000  0.40000000  0.04000000       0.002
  -0.36000000  0.40000000  0.04000000       0.003
  -0.32000000  0.40000000  0.04000000       0.003
  -0.28000000  0.40000000  0.04000000       0.003
  -0.24000000  0.40000000  0.04000000       0.003
  -0.44000000  0.44000000  0.04000000       0.002
  -0.40000000  0.44000000  0.04000000       0.003
  -0.36000000  0.44000000  0.04000000       0.003
  -0.32000000  0.44000000  0.04000000       0.003
  -0.28000000  0.44000000  0.04000000       0.003
  -0.24000000  0.44000000  0.04000000       0.002
  -0.48000000  0.48000000  0.04000000       0.002
  -0.44000000  0.48000000  0.04000000       0.003
  -0.40000000  0.48000000  0.04000000       0.003
  -0.36000000  0.48000000  0.04000000       0.003
  -0.32000000  0.48000000  0.04000000       0.003
  -0.28000000  0.48000000  0.04000000       0.003
  -0.48000000 -0.48000000  0.04000000       0.002
  -0.44000000 -0.48000000  0.04000000       0.003
  -0.40000000 -0.48000000  0.04000000       0.003
  -0.36000000 -0.48000000  0.04000000       0.003
  -0.32000000 -0.48000000  0.04000000       0.003
  -0.28000000 -0.48000000  0.04000000       0.002
  -0.44000000 -0.44000000  0.04000000       0.002
  -0.40000000 -0.44000000  0.04000000       0.003
  -0.36000000 -0.44000000  0.04000000       0.003
  -0.32000000 -0.44000000  0.04000000       0.003
  -0.40000000 -0.40000000  0.04000000       0.002
  -0.36000000 -0.40000000  0.04000000       0.003
  -0.32000000 -0.40000000  0.04000000       0.002
  -0.36000000 -0.36000000  0.04000000       0.002
   0.08000000  0.08000000  0.08000000       0.001
   0.12000000  0.08000000  0.08000000       0.002
   0.16000000  0.08000000  0.08000000       0.002
   0.20000000  0.08000000  0.08000000       0.002
   0.24000000  0.08000000  0.08000000       0.002
   0.28000000  0.08000000  0.08000000       0.002
   0.32000000  0.08000000  0.08000000       0.002
   0.36000000  0.08000000  0.08000000       0.002
   0.40000000  0.08000000  0.08000000       0.002
  -0.08000000  0.08000000  0.08000000       0.000
   0.12000000  0.12000000  0.08000000       0.002
   0.16000000  0.12000000  0.08000000       0.003
   0.20000000  0.12000000  0.08000000       0.003
   0.24000000  0.12000000  0.08000000       0.003
   0.28000000  0.12000000  0.08000000       0.003
   0.32000000  0.12000000  0.08000000       0.003
   0.36000000  0.12000000  0.08000000       0.003
   0.40000000  0.12000000  0.08000000       0.002
  -0.12000000  0.12000000  0.08000000       0.002
   0.16000000  0.16000000  0.08000000       0.002
   0.20000000  0.16000000  0.08000000       0.003
   0.24000000  0.16000000  0.08000000       0.003
   0.28000000  0.16000000  0.08000000       0.003
   0.32000000  0.16000000  0.08000000       0.003
   0.36000000  0.16000000  0.08000000       0.003
  -0.16000000  0.16000000  0.08000000       0.002
  -0.12000000  0.16000000  0.08000000       0.002
   0.20000000  0.20000000  0.08000000       0.002
   0.24000000  0.20000000  0.08000000       0.003
   0.28000000  0.20000000  0.08000000       0.003
   0.32000000  0.20000000  0.08000000       0.003
   0.36000000  0.20000000  0.08000000       0.002
  -0.20000000  0.20000000  0.08000000       0.002
  -0.16000000  0.20000000  0.08000000       0.003
   0.24000000  0.24000000  0.08000000       0.002
   0.28000000  0.24000000  0.08000000       0.003
   0.32000000  0.24000000  0.08000000       0.003
  -0.24000000  0.24000000  0.08000000       0.002
  -0.20000000  0.24000000  0.08000000       0.003
  -0.16000000  0.24000000  0.08000000       0.002
   0.28000000  0.28000000  0.08000000       0.002
   0.32000000  0.28000000  0.08000000       0.002
  -0.28000000  0.28000000  0.08000000       0.002
  -0.24000000  0.28000000  0.08000000       0.003
  -0.20000000  0.28000000  0.08000000       0.003
  -0.32000000  0.32000000  0.08000000       0.002
  -0.28000000  0.32000000  0.08000000       0.003
  -0.24000000  0.32000000  0.08000000       0.003
  -0.20000000  0.32000000  0.08000000       0.002
  -0.36000000  0.36000000  0.08000000       0.002
  -0.32000000  0.36000000  0.08000000       0.003
  -0.28000000  0.36000000  0.08000000       0.003
  -0.24000000  0.36000000  0.08000000       0.003
  -0.40000000  0.40000000  0.08000000       0.002
  -0.36000000  0.40000000  0.08000000       0.003
  -0.32000000  0.40000000  0.08000000       0.003
  -0.28000000  0.40000000  0.08000000       0.003
  -0.24000000  0.40000000  0.08000000       0.002
  -0.44000000  0.44000000  0.08000000       0.002
  -0.40000000  0.44000000  0.08000000       0.003
  -0.36000000  0.44000000  0.08000000       0.003
  -0.32000000  0.44000000  0.08000000       0.003
  -0.28000000  0.44000000  0.08000000       0.003
  -0.48000000  0.48000000  0.08000000       0.002
  -0.44000000  0.48000000  0.08000000       0.003
  -0.40000000  0.48000000  0.08000000       0.003
  -0.36000000  0.48000000  0.08000000       0.003
  -0.32000000  0.48000000  0.08000000       0.003
  -0.28000000  0.48000000  0.08000000       0.002
  -0.48000000 -0.48000000  0.08000000       0.002
  -0.44000000 -0.48000000  0.08000000       0.003
  -0.40000000 -0.48000000  0.08000000       0.003
  -0.36000000 -0.48000000  0.08000000       0.003
  -0.32000000 -0.48000000  0.08000000       0.003
  -0.44000000 -0.44000000  0.08000000       0.002
  -0.40000000 -0.44000000  0.08000000       0.003
  -0.36000000 -0.44000000  0.08000000       0.003
  -0.32000000 -0.44000000  0.08000000       0.002
  -0.40000000 -0.40000000  0.08000000       0.002
  -0.36000000 -0.40000000  0.08000000       0.003
  -0.36000000 -0.36000000  0.08000000       0.001
   0.12000000  0.12000000  0.12000000       0.001
   0.16000000  0.12000000  0.12000000       0.002
   0.20000000  0.12000000  0.12000000       0.002
   0.24000000  0.12000000  0.12000000       0.002
   0.28000000  0.12000000  0.12000000       0.002
   0.32000000  0.12000000  0.12000000       0.002
   0.36000000  0.12000000  0.12000000       0.002
  -0.12000000  0.12000000  0.12000000       0.000
   0.16000000  0.16000000  0.12000000       0.002
   0.20000000  0.16000000  0.12000000       0.003
   0.24000000  0.16000000  0.12000000       0.003
   0.28000000  0.16000000  0.12000000       0.003
   0.32000000  0.16000000  0.12000000       0.003
   0.36000000  0.16000000  0.12000000       0.002
  -0.16000000  0.16000000  0.12000000       0.002
   0.20000000  0.20000000  0.12000000       0.002
   0.24000000  0.20000000  0.12000000       0.003
   0.28000000  0.20000000  0.12000000       0.003
   0.32000000  0.20000000  0.12000000       0.003
  -0.20000000  0.20000000  0.12000000       0.002
  -0.16000000  0.20000000  0.12000000       0.002
   0.24000000  0.24000000  0.12000000       0.002
   0.28000000  0.24000000  0.12000000       0.003
   0.32000000  0.24000000  0.12000000       0.002
  -0.24000000  0.24000000  0.12000000       0.002
  -0.20000000  0.24000000  0.12000000       0.003
   0.28000000  0.28000000  0.12000000       0.002
  -0.28000000  0.28000000  0.12000000       0.002
  -0.24000000  0.28000000  0.12000000       0.003
  -0.20000000  0.28000000  0.12000000       0.002
  -0.32000000  0.32000000  0.12000000       0.002
  -0.28000000  0.32000000  0.12000000       0.003
  -0.24000000  0.32000000  0.12000000       0.003
  -0.36000000  0.36000000  0.12000000       0.002
  -0.32000000  0.36000000  0.12000000       0.003
  -0.28000000  0.36000000  0.12000000       0.003
  -0.24000000  0.36000000  0.12000000       0.002
  -0.40000000  0.40000000  0.12000000       0.002
  -0.36000000  0.40000000  0.12000000       0.003
  -0.32000000  0.40000000  0.12000000       0.003
  -0.28000000  0.40000000  0.12000000       0.003
  -0.44000000  0.44000000  0.12000000       0.002
  -0.40000000  0.44000000  0.12000000       0.003
  -0.36000000  0.44000000  0.12000000       0.003
  -0.32000000  0.44000000  0.12000000       0.003
  -0.28000000  0.44000000  0.12000000       0.002
  -0.48000000  0.48000000  0.12000000       0.002
  -0.44000000  0.48000000  0.12000000       0.003
  -0.40000000  0.48000000  0.12000000       0.003
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  -0.32000000  0.48000000  0.12000000       0.003
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  -0.40000000 -0.48000000  0.12000000       0.003
  -0.36000000 -0.48000000  0.12000000       0.003
  -0.32000000 -0.48000000  0.12000000       0.002
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  -0.40000000 -0.44000000  0.12000000       0.003
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  -0.40000000 -0.40000000  0.12000000       0.002
  -0.36000000 -0.40000000  0.12000000       0.002
   0.16000000  0.16000000  0.16000000       0.001
   0.20000000  0.16000000  0.16000000       0.002
   0.24000000  0.16000000  0.16000000       0.002
   0.28000000  0.16000000  0.16000000       0.002
   0.32000000  0.16000000  0.16000000       0.002
  -0.16000000  0.16000000  0.16000000       0.000
   0.20000000  0.20000000  0.16000000       0.002
   0.24000000  0.20000000  0.16000000       0.003
   0.28000000  0.20000000  0.16000000       0.003
   0.32000000  0.20000000  0.16000000       0.002
  -0.20000000  0.20000000  0.16000000       0.002
   0.24000000  0.24000000  0.16000000       0.002
   0.28000000  0.24000000  0.16000000       0.003
  -0.24000000  0.24000000  0.16000000       0.002
  -0.20000000  0.24000000  0.16000000       0.002
   0.28000000  0.28000000  0.16000000       0.001
  -0.28000000  0.28000000  0.16000000       0.002
  -0.24000000  0.28000000  0.16000000       0.003
  -0.32000000  0.32000000  0.16000000       0.002
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  -0.36000000  0.36000000  0.16000000       0.002
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  -0.40000000  0.44000000  0.16000000       0.003
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  -0.20000000  0.20000000  0.20000000       0.000
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   0.28000000  0.24000000  0.20000000       0.002
  -0.24000000  0.24000000  0.20000000       0.002
  -0.28000000  0.28000000  0.20000000       0.002
  -0.24000000  0.28000000  0.20000000       0.002
  -0.32000000  0.32000000  0.20000000       0.002
  -0.28000000  0.32000000  0.20000000       0.003
  -0.36000000  0.36000000  0.20000000       0.002
  -0.32000000  0.36000000  0.20000000       0.003
  -0.28000000  0.36000000  0.20000000       0.002
  -0.40000000  0.40000000  0.20000000       0.002
  -0.36000000  0.40000000  0.20000000       0.003
  -0.32000000  0.40000000  0.20000000       0.003
  -0.44000000  0.44000000  0.20000000       0.002
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  -0.36000000  0.44000000  0.20000000       0.003
  -0.32000000  0.44000000  0.20000000       0.002
  -0.48000000  0.48000000  0.20000000       0.002
  -0.44000000  0.48000000  0.20000000       0.003
  -0.40000000  0.48000000  0.20000000       0.003
  -0.36000000  0.48000000  0.20000000       0.003
  -0.48000000 -0.48000000  0.20000000       0.002
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  -0.40000000 -0.48000000  0.20000000       0.003
  -0.36000000 -0.48000000  0.20000000       0.002
  -0.44000000 -0.44000000  0.20000000       0.002
  -0.40000000 -0.44000000  0.20000000       0.003
  -0.40000000 -0.40000000  0.20000000       0.001
   0.24000000  0.24000000  0.24000000       0.001
  -0.24000000  0.24000000  0.24000000       0.000
  -0.28000000  0.28000000  0.24000000       0.002
  -0.32000000  0.32000000  0.24000000       0.002
  -0.28000000  0.32000000  0.24000000       0.002
  -0.36000000  0.36000000  0.24000000       0.002
  -0.32000000  0.36000000  0.24000000       0.003
  -0.40000000  0.40000000  0.24000000       0.002
  -0.36000000  0.40000000  0.24000000       0.003
  -0.32000000  0.40000000  0.24000000       0.002
  -0.44000000  0.44000000  0.24000000       0.002
  -0.40000000  0.44000000  0.24000000       0.003
  -0.36000000  0.44000000  0.24000000       0.003
  -0.48000000  0.48000000  0.24000000       0.002
  -0.44000000  0.48000000  0.24000000       0.003
  -0.40000000  0.48000000  0.24000000       0.003
  -0.36000000  0.48000000  0.24000000       0.002
  -0.48000000 -0.48000000  0.24000000       0.002
  -0.44000000 -0.48000000  0.24000000       0.003
  -0.40000000 -0.48000000  0.24000000       0.003
  -0.44000000 -0.44000000  0.24000000       0.002
  -0.40000000 -0.44000000  0.24000000       0.002
  -0.28000000  0.28000000  0.28000000       0.000
  -0.32000000  0.32000000  0.28000000       0.002
  -0.36000000  0.36000000  0.28000000       0.002
  -0.32000000  0.36000000  0.28000000       0.002
  -0.40000000  0.40000000  0.28000000       0.002
  -0.36000000  0.40000000  0.28000000       0.003
  -0.44000000  0.44000000  0.28000000       0.002
  -0.40000000  0.44000000  0.28000000       0.003
  -0.36000000  0.44000000  0.28000000       0.002
  -0.48000000  0.48000000  0.28000000       0.002
  -0.44000000  0.48000000  0.28000000       0.003
  -0.40000000  0.48000000  0.28000000       0.003
  -0.48000000 -0.48000000  0.28000000       0.002
  -0.44000000 -0.48000000  0.28000000       0.003
  -0.40000000 -0.48000000  0.28000000       0.002
  -0.44000000 -0.44000000  0.28000000       0.002
  -0.32000000  0.32000000  0.32000000       0.000
  -0.36000000  0.36000000  0.32000000       0.002
  -0.40000000  0.40000000  0.32000000       0.002
  -0.36000000  0.40000000  0.32000000       0.002
  -0.44000000  0.44000000  0.32000000       0.002
  -0.40000000  0.44000000  0.32000000       0.003
  -0.48000000  0.48000000  0.32000000       0.002
  -0.44000000  0.48000000  0.32000000       0.003
  -0.40000000  0.48000000  0.32000000       0.002
  -0.48000000 -0.48000000  0.32000000       0.002
  -0.44000000 -0.48000000  0.32000000       0.003
  -0.44000000 -0.44000000  0.32000000       0.001
  -0.36000000  0.36000000  0.36000000       0.000
  -0.40000000  0.40000000  0.36000000       0.002
  -0.44000000  0.44000000  0.36000000       0.002
  -0.40000000  0.44000000  0.36000000       0.002
  -0.48000000  0.48000000  0.36000000       0.002
  -0.44000000  0.48000000  0.36000000       0.003
  -0.48000000 -0.48000000  0.36000000       0.002
  -0.44000000 -0.48000000  0.36000000       0.002
  -0.40000000  0.40000000  0.40000000       0.000
  -0.44000000  0.44000000  0.40000000       0.002
  -0.48000000  0.48000000  0.40000000       0.002
  -0.44000000  0.48000000  0.40000000       0.002
  -0.48000000 -0.48000000  0.40000000       0.002
  -0.44000000  0.44000000  0.44000000       0.000
  -0.48000000  0.48000000  0.44000000       0.002
  -0.48000000 -0.48000000  0.44000000       0.001
  -0.48000000  0.48000000  0.48000000       0.000

 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    4585
 k-point  2 :   0.0400 0.0000 0.0000  plane waves:    4609
 k-point  3 :   0.0800 0.0000 0.0000  plane waves:    4615
 k-point  4 :   0.1200 0.0000 0.0000  plane waves:    4597
 k-point  5 :   0.1600 0.0000 0.0000  plane waves:    4605
 k-point  6 :   0.2000 0.0000 0.0000  plane waves:    4608
 k-point  7 :   0.2400 0.0000 0.0000  plane waves:    4600
 k-point  8 :   0.2800 0.0000 0.0000  plane waves:    4594
 k-point  9 :   0.3200 0.0000 0.0000  plane waves:    4594
 k-point 10 :   0.3600 0.0000 0.0000  plane waves:    4606
 k-point 11 :   0.4000 0.0000 0.0000  plane waves:    4590
 k-point 12 :   0.4400 0.0000 0.0000  plane waves:    4594
 k-point 13 :   0.4800 0.0000 0.0000  plane waves:    4610
 k-point 14 :   0.0400 0.0400 0.0000  plane waves:    4615
 k-point 15 :   0.0800 0.0400 0.0000  plane waves:    4610
 k-point 16 :   0.1200 0.0400 0.0000  plane waves:    4605
 k-point 17 :   0.1600 0.0400 0.0000  plane waves:    4601
 k-point 18 :   0.2000 0.0400 0.0000  plane waves:    4599
 k-point 19 :   0.2400 0.0400 0.0000  plane waves:    4597
 k-point 20 :   0.2800 0.0400 0.0000  plane waves:    4600
 k-point 21 :   0.3200 0.0400 0.0000  plane waves:    4593
 k-point 22 :   0.3600 0.0400 0.0000  plane waves:    4596
 k-point 23 :   0.4000 0.0400 0.0000  plane waves:    4602
 k-point 24 :   0.4400 0.0400 0.0000  plane waves:    4609
 k-point 25 :   0.4800 0.0400 0.0000  plane waves:    4607
 k-point 26 :   0.0800 0.0800 0.0000  plane waves:    4607
 k-point 27 :   0.1200 0.0800 0.0000  plane waves:    4614
 k-point 28 :   0.1600 0.0800 0.0000  plane waves:    4601
 k-point 29 :   0.2000 0.0800 0.0000  plane waves:    4595
 k-point 30 :   0.2400 0.0800 0.0000  plane waves:    4591
 k-point 31 :   0.2800 0.0800 0.0000  plane waves:    4598
 k-point 32 :   0.3200 0.0800 0.0000  plane waves:    4600
 k-point 33 :   0.3600 0.0800 0.0000  plane waves:    4602
 k-point 34 :   0.4000 0.0800 0.0000  plane waves:    4608
 k-point 35 :   0.4400 0.0800 0.0000  plane waves:    4610
 k-point 36 :   0.1200 0.1200 0.0000  plane waves:    4604
 k-point 37 :   0.1600 0.1200 0.0000  plane waves:    4593
 k-point 38 :   0.2000 0.1200 0.0000  plane waves:    4595
 k-point 39 :   0.2400 0.1200 0.0000  plane waves:    4596
 k-point 40 :   0.2800 0.1200 0.0000  plane waves:    4599
 k-point 41 :   0.3200 0.1200 0.0000  plane waves:    4608
 k-point 42 :   0.3600 0.1200 0.0000  plane waves:    4613
 k-point 43 :   0.4000 0.1200 0.0000  plane waves:    4608
 k-point 44 :   0.4400 0.1200 0.0000  plane waves:    4627
 k-point 45 :   0.1600 0.1600 0.0000  plane waves:    4594
 k-point 46 :   0.2000 0.1600 0.0000  plane waves:    4596
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 k-point ** :   0.2000 0.2000 0.2000  plane waves:    4624
 k-point ** :   0.2400 0.2000 0.2000  plane waves:    4616
 k-point ** :   0.2800 0.2000 0.2000  plane waves:    4625
 k-point ** :  -0.2000 0.2000 0.2000  plane waves:    4589
 k-point ** :   0.2400 0.2400 0.2000  plane waves:    4620
 k-point ** :   0.2800 0.2400 0.2000  plane waves:    4618
 k-point ** :  -0.2400 0.2400 0.2000  plane waves:    4588
 k-point ** :  -0.2800 0.2800 0.2000  plane waves:    4591
 k-point ** :  -0.2400 0.2800 0.2000  plane waves:    4584
 k-point ** :  -0.3200 0.3200 0.2000  plane waves:    4590
 k-point ** :  -0.2800 0.3200 0.2000  plane waves:    4590
 k-point ** :  -0.3600 0.3600 0.2000  plane waves:    4601
 k-point ** :  -0.3200 0.3600 0.2000  plane waves:    4593
 k-point ** :  -0.2800 0.3600 0.2000  plane waves:    4589
 k-point ** :  -0.4000 0.4000 0.2000  plane waves:    4587
 k-point ** :  -0.3600 0.4000 0.2000  plane waves:    4595
 k-point ** :  -0.3200 0.4000 0.2000  plane waves:    4600
 k-point ** :  -0.4400 0.4400 0.2000  plane waves:    4596
 k-point ** :  -0.4000 0.4400 0.2000  plane waves:    4597
 k-point ** :  -0.3600 0.4400 0.2000  plane waves:    4602
 k-point ** :  -0.3200 0.4400 0.2000  plane waves:    4610
 k-point ** :  -0.4800 0.4800 0.2000  plane waves:    4600
 k-point ** :  -0.4400 0.4800 0.2000  plane waves:    4600
 k-point ** :  -0.4000 0.4800 0.2000  plane waves:    4597
 k-point ** :  -0.3600 0.4800 0.2000  plane waves:    4605
 k-point ** :  -0.4800-0.4800 0.2000  plane waves:    4602
 k-point ** :  -0.4400-0.4800 0.2000  plane waves:    4598
 k-point ** :  -0.4000-0.4800 0.2000  plane waves:    4603
 k-point ** :  -0.3600-0.4800 0.2000  plane waves:    4600
 k-point ** :  -0.4400-0.4400 0.2000  plane waves:    4602
 k-point ** :  -0.4000-0.4400 0.2000  plane waves:    4601
 k-point ** :  -0.4000-0.4000 0.2000  plane waves:    4595
 k-point ** :   0.2400 0.2400 0.2400  plane waves:    4621
 k-point ** :  -0.2400 0.2400 0.2400  plane waves:    4577
 k-point ** :  -0.2800 0.2800 0.2400  plane waves:    4584
 k-point ** :  -0.3200 0.3200 0.2400  plane waves:    4586
 k-point ** :  -0.2800 0.3200 0.2400  plane waves:    4584
 k-point ** :  -0.3600 0.3600 0.2400  plane waves:    4597
 k-point ** :  -0.3200 0.3600 0.2400  plane waves:    4591
 k-point ** :  -0.4000 0.4000 0.2400  plane waves:    4601
 k-point ** :  -0.3600 0.4000 0.2400  plane waves:    4595
 k-point ** :  -0.3200 0.4000 0.2400  plane waves:    4600
 k-point ** :  -0.4400 0.4400 0.2400  plane waves:    4599
 k-point ** :  -0.4000 0.4400 0.2400  plane waves:    4598
 k-point ** :  -0.3600 0.4400 0.2400  plane waves:    4602
 k-point ** :  -0.4800 0.4800 0.2400  plane waves:    4600
 k-point ** :  -0.4400 0.4800 0.2400  plane waves:    4596
 k-point ** :  -0.4000 0.4800 0.2400  plane waves:    4603
 k-point ** :  -0.3600 0.4800 0.2400  plane waves:    4598
 k-point ** :  -0.4800-0.4800 0.2400  plane waves:    4602
 k-point ** :  -0.4400-0.4800 0.2400  plane waves:    4609
 k-point ** :  -0.4000-0.4800 0.2400  plane waves:    4609
 k-point ** :  -0.4400-0.4400 0.2400  plane waves:    4613
 k-point ** :  -0.4000-0.4400 0.2400  plane waves:    4603
 k-point ** :  -0.2800 0.2800 0.2800  plane waves:    4577
 k-point ** :  -0.3200 0.3200 0.2800  plane waves:    4584
 k-point ** :  -0.3600 0.3600 0.2800  plane waves:    4582
 k-point ** :  -0.3200 0.3600 0.2800  plane waves:    4590
 k-point ** :  -0.4000 0.4000 0.2800  plane waves:    4599
 k-point ** :  -0.3600 0.4000 0.2800  plane waves:    4598
 k-point ** :  -0.4400 0.4400 0.2800  plane waves:    4609
 k-point ** :  -0.4000 0.4400 0.2800  plane waves:    4609
 k-point ** :  -0.3600 0.4400 0.2800  plane waves:    4604
 k-point ** :  -0.4800 0.4800 0.2800  plane waves:    4610
 k-point ** :  -0.4400 0.4800 0.2800  plane waves:    4606
 k-point ** :  -0.4000 0.4800 0.2800  plane waves:    4607
 k-point ** :  -0.4800-0.4800 0.2800  plane waves:    4605
 k-point ** :  -0.4400-0.4800 0.2800  plane waves:    4603
 k-point ** :  -0.4000-0.4800 0.2800  plane waves:    4604
 k-point ** :  -0.4400-0.4400 0.2800  plane waves:    4599
 k-point ** :  -0.3200 0.3200 0.3200  plane waves:    4577
 k-point ** :  -0.3600 0.3600 0.3200  plane waves:    4600
 k-point ** :  -0.4000 0.4000 0.3200  plane waves:    4596
 k-point ** :  -0.3600 0.4000 0.3200  plane waves:    4596
 k-point ** :  -0.4400 0.4400 0.3200  plane waves:    4605
 k-point ** :  -0.4000 0.4400 0.3200  plane waves:    4602
 k-point ** :  -0.4800 0.4800 0.3200  plane waves:    4607
 k-point ** :  -0.4400 0.4800 0.3200  plane waves:    4601
 k-point ** :  -0.4000 0.4800 0.3200  plane waves:    4602
 k-point ** :  -0.4800-0.4800 0.3200  plane waves:    4603
 k-point ** :  -0.4400-0.4800 0.3200  plane waves:    4592
 k-point ** :  -0.4400-0.4400 0.3200  plane waves:    4586
 k-point ** :  -0.3600 0.3600 0.3600  plane waves:    4593
 k-point ** :  -0.4000 0.4000 0.3600  plane waves:    4596
 k-point ** :  -0.4400 0.4400 0.3600  plane waves:    4596
 k-point ** :  -0.4000 0.4400 0.3600  plane waves:    4594
 k-point ** :  -0.4800 0.4800 0.3600  plane waves:    4591
 k-point ** :  -0.4400 0.4800 0.3600  plane waves:    4583
 k-point ** :  -0.4800-0.4800 0.3600  plane waves:    4586
 k-point ** :  -0.4400-0.4800 0.3600  plane waves:    4582
 k-point ** :  -0.4000 0.4000 0.4000  plane waves:    4577
 k-point ** :  -0.4400 0.4400 0.4000  plane waves:    4581
 k-point ** :  -0.4800 0.4800 0.4000  plane waves:    4576
 k-point ** :  -0.4400 0.4800 0.4000  plane waves:    4573
 k-point ** :  -0.4800-0.4800 0.4000  plane waves:    4572
 k-point ** :  -0.4400 0.4400 0.4400  plane waves:    4577
 k-point ** :  -0.4800 0.4800 0.4400  plane waves:    4560
 k-point ** :  -0.4800-0.4800 0.4400  plane waves:    4547
 k-point ** :  -0.4800 0.4800 0.4800  plane waves:    4553

 maximum and minimum number of plane-waves per node :      4627     4547

 maximum number of plane-waves:      4627
 maximum index in each direction: 
   IXMAX=   11   IYMAX=   11   IZMAX=   11
   IXMIN=  -11   IYMIN=  -11   IZMIN=  -11


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


 total amount of memory used by VASP MPI-rank0   350602. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      84303. kBytes
   fftplans  :      16986. kBytes
   grid      :      16898. kBytes
   one-center:          2. kBytes
   wavefun   :     202413. kBytes

     INWAV:  cpu time    0.0000: real time    0.0002
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 23   NGY = 23   NGZ = 23
  (NGX  = 60   NGY  = 60   NGZ  = 60)
  gives a total of  12167 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron       3.0000000 magnetization       1.0000000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         9887 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.350
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0007: real time    0.0007


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


    POTLOK:  cpu time    0.3421: real time    0.4426
    SETDIJ:  cpu time    0.0923: real time    0.0940
     EDDAV:  cpu time   59.7187: real time   68.2999
       DOS:  cpu time    0.0118: real time    0.0212
    --------------------------------------------
      LOOP:  cpu time   60.1649: real time   68.8577

 eigenvalue-minimisations  : 10920
 total energy-change (2. order) : 0.3379166E+01  (-0.8192928E+02)
 number of electron       3.0000000 magnetization       1.0000000
 augmentation part        3.0000000 magnetization       1.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.97255570
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.71539037
  PAW double counting   =        79.51930919      -94.85895886
  entropy T*S    EENTRO =        -0.00002976
  eigenvalues    EBANDS =      -100.03952691
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         3.37916629 eV

  energy without entropy =        3.37919605  energy(sigma->0) =        3.37918117


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




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


     EDDAV:  cpu time   72.8458: real time   80.4471
       DOS:  cpu time    0.0050: real time    0.0052
    --------------------------------------------
      LOOP:  cpu time   72.8508: real time   80.4523

 eigenvalue-minimisations  : 15180
 total energy-change (2. order) :-0.2626735E+01  (-0.2600562E+01)
 number of electron       3.0000000 magnetization       1.0000000
 augmentation part        3.0000000 magnetization       1.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.97255570
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.71539037
  PAW double counting   =        79.51930919      -94.85895886
  entropy T*S    EENTRO =        -0.00011530
  eigenvalues    EBANDS =      -102.66617633
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.75243134 eV

  energy without entropy =        0.75254663  energy(sigma->0) =        0.75248898


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




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


     EDDAV:  cpu time   78.9944: real time   86.0696
       DOS:  cpu time    0.0048: real time    0.0048
    --------------------------------------------
      LOOP:  cpu time   78.9991: real time   86.0744

 eigenvalue-minimisations  : 16590
 total energy-change (2. order) :-0.4382827E+00  (-0.4293241E+00)
 number of electron       3.0000000 magnetization       1.0000000
 augmentation part        3.0000000 magnetization       1.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.97255570
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.71539037
  PAW double counting   =        79.51930919      -94.85895886
  entropy T*S    EENTRO =        -0.00005324
  eigenvalues    EBANDS =      -103.10452109
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.31414864 eV

  energy without entropy =        0.31420188  energy(sigma->0) =        0.31417526


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




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


     EDDAV:  cpu time   75.7544: real time   83.6576
       DOS:  cpu time    0.0050: real time    0.0051
    --------------------------------------------
      LOOP:  cpu time   75.7594: real time   83.6628

 eigenvalue-minimisations  : 15078
 total energy-change (2. order) :-0.2499733E-01  (-0.2496944E-01)
 number of electron       3.0000000 magnetization       1.0000000
 augmentation part        3.0000000 magnetization       1.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.97255570
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.71539037
  PAW double counting   =        79.51930919      -94.85895886
  entropy T*S    EENTRO =        -0.00005139
  eigenvalues    EBANDS =      -103.12952026
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.28915131 eV

  energy without entropy =        0.28920270  energy(sigma->0) =        0.28917701


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




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


     EDDAV:  cpu time   77.1764: real time   83.3717
       DOS:  cpu time    0.0041: real time    0.0041
    CHARGE:  cpu time    2.3361: real time    2.3415
    MIXING:  cpu time    0.0043: real time    0.0052
    --------------------------------------------
      LOOP:  cpu time   79.5208: real time   85.7224

 eigenvalue-minimisations  : 16926
 total energy-change (2. order) :-0.5400433E-03  (-0.5399965E-03)
 number of electron       2.9999998 magnetization       0.2643177
 augmentation part        0.9669646 magnetization      -0.1294766

 Broyden mixing:
  rms(total) = 0.88684E+00    rms(broyden)= 0.88681E+00
  rms(prec ) = 0.89256E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.97255570
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.71539037
  PAW double counting   =        79.51930919      -94.85895886
  entropy T*S    EENTRO =        -0.00005157
  eigenvalues    EBANDS =      -103.13006012
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.28861127 eV

  energy without entropy =        0.28866284  energy(sigma->0) =        0.28863705


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




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


    POTLOK:  cpu time    0.3236: real time    0.3297
    SETDIJ:  cpu time    0.0898: real time    0.0898
     EDDAV:  cpu time   67.0051: real time   72.0570
       DOS:  cpu time    0.0047: real time    0.0047
    CHARGE:  cpu time    2.3986: real time    2.4027
    MIXING:  cpu time    0.0054: real time    0.0067
    --------------------------------------------
      LOOP:  cpu time   69.8271: real time   74.8905

 eigenvalue-minimisations  : 13830
 total energy-change (2. order) :-0.1655092E+00  (-0.3358919E+00)
 number of electron       2.9999998 magnetization       0.4727747
 augmentation part        0.9890708 magnetization      -0.1641492

 Broyden mixing:
  rms(total) = 0.42907E+00    rms(broyden)= 0.42906E+00
  rms(prec ) = 0.44179E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6738
  0.6738

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.45191303
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.64621298
  PAW double counting   =        77.13358187      -92.58123894
  entropy T*S    EENTRO =        -0.00004277
  eigenvalues    EBANDS =      -103.63903598
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.12310211 eV

  energy without entropy =        0.12314487  energy(sigma->0) =        0.12312349


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




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


    POTLOK:  cpu time    0.3445: real time    0.3637
    SETDIJ:  cpu time    0.0895: real time    0.1005
     EDDAV:  cpu time   68.8851: real time   76.8863
       DOS:  cpu time    0.0050: real time    0.0053
    CHARGE:  cpu time    2.5144: real time    2.8130
    MIXING:  cpu time    0.0052: real time    0.0132
    --------------------------------------------
      LOOP:  cpu time   71.8437: real time   80.1820

 eigenvalue-minimisations  : 13638
 total energy-change (2. order) :-0.6374783E+00  (-0.1227135E+00)
 number of electron       2.9999998 magnetization       0.3197267
 augmentation part        0.9758157 magnetization      -0.0663513

 Broyden mixing:
  rms(total) = 0.54109E-01    rms(broyden)= 0.54084E-01
  rms(prec ) = 0.87062E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6691
  0.7470  0.5912

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -58.13404300
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.44617306
  PAW double counting   =        75.68189435      -91.21628877
  entropy T*S    EENTRO =        -0.00007094
  eigenvalues    EBANDS =      -104.30757886
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.51437620 eV

  energy without entropy =       -0.51430526  energy(sigma->0) =       -0.51434073


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




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


    POTLOK:  cpu time    0.3412: real time    0.7619
    SETDIJ:  cpu time    0.1129: real time    0.1636
     EDDAV:  cpu time   66.1514: real time   71.2450
       DOS:  cpu time    0.0052: real time    0.0054
    CHARGE:  cpu time    2.5706: real time    2.5863
    MIXING:  cpu time    0.0053: real time    0.0053
    --------------------------------------------
      LOOP:  cpu time   69.1867: real time   74.7675

 eigenvalue-minimisations  : 13284
 total energy-change (2. order) :-0.3719852E-01  (-0.1614276E-01)
 number of electron       2.9999998 magnetization      -0.0166900
 augmentation part        0.9698536 magnetization      -0.2141278

 Broyden mixing:
  rms(total) = 0.31278E-01    rms(broyden)= 0.31049E-01
  rms(prec ) = 0.60227E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0625
  0.7279  0.7279  1.7317

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -57.76876582
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.39254154
  PAW double counting   =        73.96020239      -89.57581606
  entropy T*S    EENTRO =        -0.00006861
  eigenvalues    EBANDS =      -104.57520613
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.55157472 eV

  energy without entropy =       -0.55150611  energy(sigma->0) =       -0.55154042


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




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


    POTLOK:  cpu time    0.3459: real time    0.3463
    SETDIJ:  cpu time    0.0907: real time    0.0907
     EDDAV:  cpu time   62.9398: real time   69.3389
       DOS:  cpu time    0.0044: real time    0.0044
    CHARGE:  cpu time    2.4786: real time    2.8138
    MIXING:  cpu time    0.0076: real time    0.0076
    --------------------------------------------
      LOOP:  cpu time   65.8670: real time   72.6017

 eigenvalue-minimisations  : 11496
 total energy-change (2. order) :-0.7414732E-02  (-0.4074413E-02)
 number of electron       2.9999998 magnetization      -0.0676157
 augmentation part        0.9713769 magnetization      -0.0555189

 Broyden mixing:
  rms(total) = 0.17303E-01    rms(broyden)= 0.17013E-01
  rms(prec ) = 0.30863E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0536
  2.0755  0.7115  0.7115  0.7159

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -57.22703555
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.34923793
  PAW double counting   =        72.01971646      -87.73032173
  entropy T*S    EENTRO =        -0.00005531
  eigenvalues    EBANDS =      -104.98606922
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.55898945 eV

  energy without entropy =       -0.55893414  energy(sigma->0) =       -0.55896180


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




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


    POTLOK:  cpu time    0.4358: real time    0.5734
    SETDIJ:  cpu time    0.1013: real time    0.1133
     EDDAV:  cpu time   61.0190: real time   66.7684
       DOS:  cpu time    0.0045: real time    0.0045
    CHARGE:  cpu time    2.4498: real time    2.4642
    MIXING:  cpu time    0.0072: real time    0.0072
    --------------------------------------------
      LOOP:  cpu time   64.0177: real time   69.9309

 eigenvalue-minimisations  : 11484
 total energy-change (2. order) :-0.7722482E-02  (-0.5113724E-03)
 number of electron       2.9999998 magnetization      -0.0402390
 augmentation part        0.9700018 magnetization       0.0008743

 Broyden mixing:
  rms(total) = 0.10671E-01    rms(broyden)= 0.10633E-01
  rms(prec ) = 0.16475E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1073
  2.3351  1.1189  0.7193  0.7193  0.6441

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -57.04551978
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.33921638
  PAW double counting   =        71.64929860      -87.38030793
  entropy T*S    EENTRO =        -0.00008625
  eigenvalues    EBANDS =      -105.14485092
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56671193 eV

  energy without entropy =       -0.56662568  energy(sigma->0) =       -0.56666881


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




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


    POTLOK:  cpu time    0.3306: real time    0.3426
    SETDIJ:  cpu time    0.1039: real time    0.1044
     EDDAV:  cpu time   63.6649: real time   68.3166
       DOS:  cpu time    0.0028: real time    0.0028
    CHARGE:  cpu time    1.9153: real time    2.0174
    MIXING:  cpu time    0.0064: real time    0.0068
    --------------------------------------------
      LOOP:  cpu time   66.0239: real time   70.7907

 eigenvalue-minimisations  : 12684
 total energy-change (2. order) :-0.1069856E-02  (-0.3168946E-03)
 number of electron       2.9999998 magnetization       0.0056304
 augmentation part        0.9697586 magnetization       0.0285981

 Broyden mixing:
  rms(total) = 0.45225E-02    rms(broyden)= 0.45210E-02
  rms(prec ) = 0.67262E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2019
  2.6410  1.4755  0.9800  0.7377  0.7377  0.6393

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -56.95514850
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.33570829
  PAW double counting   =        71.81431293      -87.54115462
  entropy T*S    EENTRO =        -0.00006950
  eigenvalues    EBANDS =      -105.23696835
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56778179 eV

  energy without entropy =       -0.56771229  energy(sigma->0) =       -0.56774704


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




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


    POTLOK:  cpu time    0.3070: real time    0.3653
    SETDIJ:  cpu time    0.0816: real time    0.0817
     EDDAV:  cpu time   51.3953: real time   52.8442
       DOS:  cpu time    0.0044: real time    0.0044
    CHARGE:  cpu time    1.5996: real time    1.6065
    MIXING:  cpu time    0.0068: real time    0.0069
    --------------------------------------------
      LOOP:  cpu time   53.3947: real time   54.9090

 eigenvalue-minimisations  : 11640
 total energy-change (2. order) :-0.8507765E-04  (-0.1506564E-03)
 number of electron       2.9999998 magnetization       0.0075317
 augmentation part        0.9696697 magnetization       0.0030634

 Broyden mixing:
  rms(total) = 0.16403E-02    rms(broyden)= 0.16031E-02
  rms(prec ) = 0.21833E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3948
  3.5051  2.2643  0.9434  0.9434  0.7367  0.7367  0.6337

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -56.94741507
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.33739831
  PAW double counting   =        72.17040573      -87.88292932
  entropy T*S    EENTRO =        -0.00004599
  eigenvalues    EBANDS =      -105.26081850
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56786687 eV

  energy without entropy =       -0.56782087  energy(sigma->0) =       -0.56784387


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




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


    POTLOK:  cpu time    0.2919: real time    0.2941
    SETDIJ:  cpu time    0.0811: real time    0.0814
     EDDAV:  cpu time   55.3309: real time   56.4983
       DOS:  cpu time    0.0038: real time    0.0039
    CHARGE:  cpu time    2.1368: real time    2.1857
    MIXING:  cpu time    0.0074: real time    0.0115
    --------------------------------------------
      LOOP:  cpu time   57.8520: real time   59.0748

 eigenvalue-minimisations  : 12798
 total energy-change (2. order) :-0.2435577E-03  (-0.2055816E-04)
 number of electron       2.9999998 magnetization      -0.0012194
 augmentation part        0.9695388 magnetization      -0.0036049

 Broyden mixing:
  rms(total) = 0.16198E-02    rms(broyden)= 0.16176E-02
  rms(prec ) = 0.17416E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4892
  4.3346  2.3117  1.2706  1.2706  0.7138  0.7138  0.6706  0.6284

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -56.94129583
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.33774266
  PAW double counting   =        72.25178653      -87.96107078
  entropy T*S    EENTRO =        -0.00004369
  eigenvalues    EBANDS =      -105.27076728
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56811043 eV

  energy without entropy =       -0.56806674  energy(sigma->0) =       -0.56808858


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




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


    POTLOK:  cpu time    0.3285: real time    0.4713
    SETDIJ:  cpu time    0.0910: real time    0.0910
     EDDAV:  cpu time   56.5011: real time   58.5161
       DOS:  cpu time    0.0267: real time    0.0353
    --------------------------------------------
      LOOP:  cpu time   56.9473: real time   59.1137

 eigenvalue-minimisations  : 11802
 total energy-change (2. order) :-0.6435818E-04  (-0.9722082E-05)
 number of electron       2.9999998 magnetization      -0.0012194
 augmentation part        0.9695388 magnetization      -0.0036049

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.17694356
  Ewald energy   TEWEN  =       -36.93848794
  -Hartree energ DENC   =       -56.94392111
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        11.33804750
  PAW double counting   =        72.27469433      -87.98282768
  entropy T*S    EENTRO =        -0.00004281
  eigenvalues    EBANDS =      -105.26966299
  atomic energy  EATOM  =       202.77708235
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56817478 eV

  energy without entropy =       -0.56813197  energy(sigma->0) =       -0.56815338


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




 average (electrostatic) potential at core
  the test charge radii are     0.7079
  (the norm of the test charge is              1.0000)
       1 -70.5064



 E-fermi :  -1.9638     XC(G=0):  -3.7093     alpha+bet : -1.1498


 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.2132      1.00000
      3       1.7275      0.00000
      4       1.7275      0.00000
      5       1.7275      0.00000
      6       4.0013      0.00000

 k-point     2 :       0.0400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.2025      1.00000
      3       1.6775      0.00000
      4       1.7058      0.00000
      5       1.7225      0.00000
      6       4.0218      0.00000

 k-point     3 :       0.0800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1705      1.00000
      3       1.5355      0.00000
      4       1.6455      0.00000
      5       1.7077      0.00000
      6       3.8992      0.00000

 k-point     4 :       0.1200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1170      1.00000
      3       1.3205      0.00000
      4       1.5577      0.00000
      5       1.6839      0.00000
      6       3.6201      0.00000

 k-point     5 :       0.1600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0424      1.00000
      3       1.0539      0.00000
      4       1.4547      0.00000
      5       1.6521      0.00000
      6       3.3645      0.00000

 k-point     6 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9467      1.00000
      3       0.7543      0.00000
      4       1.3470      0.00000
      5       1.6143      0.00000
      6       3.1459      0.00000

 k-point     7 :       0.2400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8300      1.00000
      3       0.4368      0.00000
      4       1.2424      0.00000
      5       1.5729      0.00000
      6       2.9635      0.00000

 k-point     8 :       0.2800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6928      1.00000
      3       0.1130      0.00000
      4       1.1463      0.00000
      5       1.5308      0.00000
      6       2.8139      0.00000

 k-point     9 :       0.3200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5356      1.00000
      3      -0.2087      0.00000
      4       1.0623      0.00000
      5       1.4907      0.00000
      6       2.6937      0.00000

 k-point    10 :       0.3600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3593      1.00000
      3      -0.5218      0.00000
      4       0.9928      0.00000
      5       1.4554      0.00000
      6       2.6004      0.00000

 k-point    11 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1660      1.00000
      3      -0.8203      0.00000
      4       0.9395      0.00000
      5       1.4269      0.00000
      6       2.5318      0.00000

 k-point    12 :       0.4400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9622      0.41441
      3      -1.0955      0.00000
      4       0.9034      0.00000
      5       1.4070      0.00000
      6       2.4868      0.00000

 k-point    13 :       0.4800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7798      0.00000
      3      -1.3140      0.00000
      4       0.8852      0.00000
      5       1.3967      0.00000
      6       2.4644      0.00000

 k-point    14 :       0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1812      1.00000
      3       1.5813      0.00000
      4       1.6767      0.00000
      5       1.7006      0.00000
      6       4.0099      0.00000

 k-point    15 :       0.0800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1384      1.00000
      3       1.4099      0.00000
      4       1.5995      0.00000
      5       1.6752      0.00000
      6       3.7588      0.00000

 k-point    16 :       0.1200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0744      1.00000
      3       1.1777      0.00000
      4       1.4940      0.00000
      5       1.6442      0.00000
      6       3.4993      0.00000

 k-point    17 :       0.1600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9892      1.00000
      3       0.9009      0.00000
      4       1.3791      0.00000
      5       1.6061      0.00000
      6       3.2711      0.00000

 k-point    18 :       0.2000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8830      1.00000
      3       0.5962      0.00000
      4       1.2654      0.00000
      5       1.5630      0.00000
      6       3.0784      0.00000

 k-point    19 :       0.2400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7560      1.00000
      3       0.2777      0.00000
      4       1.1596      0.00000
      5       1.5175      0.00000
      6       2.9186      0.00000

 k-point    20 :       0.2800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6088      1.00000
      3      -0.0439      0.00000
      4       1.0656      0.00000
      5       1.4729      0.00000
      6       2.7886      0.00000

 k-point    21 :       0.3200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4419      1.00000
      3      -0.3608      0.00000
      4       0.9861      0.00000
      5       1.4320      0.00000
      6       2.6853      0.00000

 k-point    22 :       0.3600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2568      1.00000
      3      -0.6666      0.00000
      4       0.9228      0.00000
      5       1.3974      0.00000
      6       2.6069      0.00000

 k-point    23 :       0.4000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0571      1.00000
      3      -0.9545      0.00000
      4       0.8769      0.00000
      5       1.3713      0.00000
      6       2.5517      0.00000

 k-point    24 :       0.4400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8560      0.00000
      3      -1.2092      0.00000
      4       0.8491      0.00000
      5       1.3550      0.00000
      6       2.5189      0.00000

 k-point    25 :       0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7359      0.00000
      3      -1.3473      0.00000
      4       0.8398      0.00000
      5       1.3495      0.00000
      6       2.5080      0.00000

 k-point    26 :       0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0851      1.00000
      3       1.2305      0.00000
      4       1.5092      0.00000
      5       1.6250      0.00000
      6       3.6067      0.00000

 k-point    27 :       0.1200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0105      1.00000
      3       1.0040      0.00000
      4       1.3780      0.00000
      5       1.5778      0.00000
      6       3.4121      0.00000

 k-point    28 :       0.1600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9148      1.00000
      3       0.7357      0.00000
      4       1.2396      0.00000
      5       1.5285      0.00000
      6       3.2258      0.00000

 k-point    29 :       0.2000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7983      1.00000
      3       0.4383      0.00000
      4       1.1111      0.00000
      5       1.4767      0.00000
      6       3.0649      0.00000

 k-point    30 :       0.2400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6612      1.00000
      3       0.1265      0.00000
      4       0.9982      0.00000
      5       1.4250      0.00000
      6       2.9300      0.00000

 k-point    31 :       0.2800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5042      1.00000
      3      -0.1881      0.00000
      4       0.9027      0.00000
      5       1.3764      0.00000
      6       2.8197      0.00000

 k-point    32 :       0.3200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3282      1.00000
      3      -0.4968      0.00000
      4       0.8256      0.00000
      5       1.3339      0.00000
      6       2.7328      0.00000

 k-point    33 :       0.3600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1355      1.00000
      3      -0.7924      0.00000
      4       0.7673      0.00000
      5       1.2998      0.00000
      6       2.6683      0.00000

 k-point    34 :       0.4000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9326      0.00001
      3      -1.0654      0.00000
      4       0.7282      0.00000
      5       1.2762      0.00000
      6       2.6256      0.00000

 k-point    35 :       0.4400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7517      0.00000
      3      -1.2817      0.00000
      4       0.7086      0.00000
      5       1.2640      0.00000
      6       2.6044      0.00000

 k-point    36 :       0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9254      1.00000
      3       0.8003      0.00000
      4       1.2112      0.00000
      5       1.5141      0.00000
      6       3.3506      0.00000

 k-point    37 :       0.1600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8194      1.00000
      3       0.5591      0.00000
      4       1.0375      0.00000
      5       1.4537      0.00000
      6       3.2089      0.00000

 k-point    38 :       0.2000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6928      1.00000
      3       0.2827      0.00000
      4       0.8860      0.00000
      5       1.3948      0.00000
      6       3.0765      0.00000

 k-point    39 :       0.2400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5459      1.00000
      3      -0.0145      0.00000
      4       0.7625      0.00000
      5       1.3391      0.00000
      6       2.9635      0.00000

 k-point    40 :       0.2800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3796      1.00000
      3      -0.3173      0.00000
      4       0.6646      0.00000
      5       1.2891      0.00000
      6       2.8708      0.00000

 k-point    41 :       0.3200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1954      1.00000
      3      -0.6147      0.00000
      4       0.5898      0.00000
      5       1.2474      0.00000
      6       2.7988      0.00000

 k-point    42 :       0.3600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9970      1.00000
      3      -0.8971      0.00000
      4       0.5370      0.00000
      5       1.2162      0.00000
      6       2.7475      0.00000

 k-point    43 :       0.4000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7984      0.00000
      3      -1.1472      0.00000
      4       0.5054      0.00000
      5       1.1969      0.00000
      6       2.7167      0.00000

 k-point    44 :       0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6816      0.00000
      3      -1.2814      0.00000
      4       0.4949      0.00000
      5       1.1904      0.00000
      6       2.7064      0.00000

 k-point    45 :       0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7033      1.00000
      3       0.3598      0.00000
      4       0.8195      0.00000
      5       1.3861      0.00000
      6       3.1732      0.00000

 k-point    46 :       0.2000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5668      1.00000
      3       0.1233      0.00000
      4       0.6318      0.00000
      5       1.3235      0.00000
      6       3.0895      0.00000

 k-point    47 :       0.2400    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4106      1.00000
      3      -0.1466      0.00000
      4       0.4900      0.00000
      5       1.2669      0.00000
      6       3.0055      0.00000

 k-point    48 :       0.2800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2357      1.00000
      3      -0.4312      0.00000
      4       0.3869      0.00000
      5       1.2184      0.00000
      6       2.9342      0.00000

 k-point    49 :       0.3200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0447      1.00000
      3      -0.7132      0.00000
      4       0.3143      0.00000
      5       1.1800      0.00000
      6       2.8792      0.00000

 k-point    50 :       0.3600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8447      0.00000
      3      -0.9772      0.00000
      4       0.2675      0.00000
      5       1.1535      0.00000
      6       2.8420      0.00000

 k-point    51 :       0.4000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6694      0.00000
      3      -1.1853      0.00000
      4       0.2445      0.00000
      5       1.1400      0.00000
      6       2.8232      0.00000

 k-point    52 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4209      1.00000
      3      -0.0572      0.00000
      4       0.3969      0.00000
      5       1.2603      0.00000
      6       3.0796      0.00000

 k-point    53 :       0.2400    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2559      1.00000
      3      -0.2781      0.00000
      4       0.2191      0.00000
      5       1.2055      0.00000
      6       3.0445      0.00000

 k-point    54 :       0.2800    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0738      1.00000
      3      -0.5315      0.00000
      4       0.1019      0.00000
      5       1.1605      0.00000
      6       3.0038      0.00000

 k-point    55 :       0.3200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8787      0.00000
      3      -0.7908      0.00000
      4       0.0287      0.00000
      5       1.1271      0.00000
      6       2.9698      0.00000

 k-point    56 :       0.3600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6863      0.00000
      3      -1.0260      0.00000
      4      -0.0120      0.00000
      5       1.1065      0.00000
      6       2.9480      0.00000

 k-point    57 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5773      0.00000
      3      -1.1500      0.00000
      4      -0.0252      0.00000
      5       1.0996      0.00000
      6       2.9404      0.00000

 k-point    58 :       0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0835      1.00000
      3      -0.4298      0.00000
      4      -0.0110      0.00000
      5       1.1543      0.00000
      6       3.0651      0.00000

 k-point    59 :       0.2800    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8965      0.00000
      3      -0.6251      0.00000
      4      -0.1651      0.00000
      5       1.1144      0.00000
      6       3.0657      0.00000

 k-point    60 :       0.3200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7035      0.00000
      3      -0.8452      0.00000
      4      -0.2483      0.00000
      5       1.0870      0.00000
      6       3.0581      0.00000

 k-point    61 :       0.3600    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5410      0.00000
      3      -1.0274      0.00000
      4      -0.2843      0.00000
      5       1.0730      0.00000
      6       3.0521      0.00000

 k-point    62 :       0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7100      0.00000
      3      -0.7321      0.00000
      4      -0.3796      0.00000
      5       1.0805      0.00000
      6       3.1068      0.00000

 k-point    63 :       0.3200    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5340      0.00000
      3      -0.8699      0.00000
      4      -0.5001      0.00000
      5       1.0597      0.00000
      6       3.1266      0.00000

 k-point    64 :       0.3600    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4434      0.00000
      3      -0.9542      0.00000
      4      -0.5341      0.00000
      5       1.0527      0.00000
      6       3.1320      0.00000

 k-point    65 :       0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4127      0.00000
      3      -0.8495      0.00000
      4      -0.6962      0.00000
      5       1.0459      0.00000
      6       3.1624      0.00000

 k-point    66 :       0.0400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1491      1.00000
      3       1.4378      0.00000
      4       1.6560      0.00000
      5       1.6560      0.00000
      6       3.8397      0.00000

 k-point    67 :       0.0800    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0957      1.00000
      3       1.2472      0.00000
      4       1.5539      0.00000
      5       1.6228      0.00000
      6       3.6234      0.00000

 k-point    68 :       0.1200    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0211      1.00000
      3       1.0112      0.00000
      4       1.4224      0.00000
      5       1.5791      0.00000
      6       3.4136      0.00000

 k-point    69 :       0.1600    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9254      1.00000
      3       0.7359      0.00000
      4       1.2869      0.00000
      5       1.5281      0.00000
      6       3.2279      0.00000

 k-point    70 :       0.2000    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8089      1.00000
      3       0.4343      0.00000
      4       1.1608      0.00000
      5       1.4732      0.00000
      6       3.0693      0.00000

 k-point    71 :       0.2400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6718      1.00000
      3       0.1200      0.00000
      4       1.0495      0.00000
      5       1.4183      0.00000
      6       2.9369      0.00000

 k-point    72 :       0.2800    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5147      1.00000
      3      -0.1961      0.00000
      4       0.9551      0.00000
      5       1.3669      0.00000
      6       2.8288      0.00000

 k-point    73 :       0.3200    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3386      1.00000
      3      -0.5057      0.00000
      4       0.8786      0.00000
      5       1.3223      0.00000
      6       2.7439      0.00000

 k-point    74 :       0.3600    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1457      1.00000
      3      -0.8020      0.00000
      4       0.8207      0.00000
      5       1.2867      0.00000
      6       2.6809      0.00000

 k-point    75 :       0.4000    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9426      0.00139
      3      -1.0755      0.00000
      4       0.7819      0.00000
      5       1.2620      0.00000
      6       2.6393      0.00000

 k-point    76 :       0.4400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7614      0.00000
      3      -1.2923      0.00000
      4       0.7625      0.00000
      5       1.2494      0.00000
      6       2.6186      0.00000

 k-point    77 :      -0.0400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1918      1.00000
      3       1.6627      0.00000
      4       1.6837      0.00000
      5       1.6837      0.00000
      6       4.0484      0.00000

 k-point    78 :       0.0800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0318      1.00000
      3       1.0548      0.00000
      4       1.4534      0.00000
      5       1.5431      0.00000
      6       3.5109      0.00000

 k-point    79 :       0.1200    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9467      1.00000
      3       0.8294      0.00000
      4       1.2967      0.00000
      5       1.4751      0.00000
      6       3.3691      0.00000

 k-point    80 :       0.1600    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8406      1.00000
      3       0.5681      0.00000
      4       1.1359      0.00000
      5       1.4077      0.00000
      6       3.2327      0.00000

 k-point    81 :       0.2000    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7139      1.00000
      3       0.2784      0.00000
      4       0.9940      0.00000
      5       1.3407      0.00000
      6       3.1112      0.00000

 k-point    82 :       0.2400    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5669      1.00000
      3      -0.0261      0.00000
      4       0.8757      0.00000
      5       1.2775      0.00000
      6       3.0070      0.00000

 k-point    83 :       0.2800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4004      1.00000
      3      -0.3329      0.00000
      4       0.7804      0.00000
      5       1.2213      0.00000
      6       2.9210      0.00000

 k-point    84 :       0.3200    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2159      1.00000
      3      -0.6325      0.00000
      4       0.7071      0.00000
      5       1.1751      0.00000
      6       2.8539      0.00000

 k-point    85 :       0.3600    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0172      1.00000
      3      -0.9163      0.00000
      4       0.6550      0.00000
      5       1.1406      0.00000
      6       2.8059      0.00000

 k-point    86 :       0.4000    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8179      0.00000
      3      -1.1676      0.00000
      4       0.6239      0.00000
      5       1.1195      0.00000
      6       2.7771      0.00000

 k-point    87 :       0.4400    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7003      0.00000
      3      -1.3028      0.00000
      4       0.6135      0.00000
      5       1.1123      0.00000
      6       2.7675      0.00000

 k-point    88 :      -0.0800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1598      1.00000
      3       1.5306      0.00000
      4       1.6223      0.00000
      5       1.6630      0.00000
      6       3.9177      0.00000

 k-point    89 :       0.1200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8512      1.00000
      3       0.6274      0.00000
      4       1.1148      0.00000
      5       1.3798      0.00000
      6       3.3227      0.00000

 k-point    90 :       0.1600    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7349      1.00000
      3       0.3945      0.00000
      4       0.9253      0.00000
      5       1.2957      0.00000
      6       3.2407      0.00000

 k-point    91 :       0.2000    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5983      1.00000
      3       0.1281      0.00000
      4       0.7641      0.00000
      5       1.2192      0.00000
      6       3.1573      0.00000

 k-point    92 :       0.2400    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4418      1.00000
      3      -0.1596      0.00000
      4       0.6379      0.00000
      5       1.1514      0.00000
      6       3.0811      0.00000

 k-point    93 :       0.2800    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2666      1.00000
      3      -0.4530      0.00000
      4       0.5423      0.00000
      5       1.0944      0.00000
      6       3.0166      0.00000

 k-point    94 :       0.3200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0750      1.00000
      3      -0.7396      0.00000
      4       0.4731      0.00000
      5       1.0499      0.00000
      6       2.9666      0.00000

 k-point    95 :       0.3600    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8742      0.00000
      3      -1.0063      0.00000
      4       0.4280      0.00000
      5       1.0195      0.00000
      6       2.9325      0.00000

 k-point    96 :       0.4000    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6975      0.00000
      3      -1.2168      0.00000
      4       0.4056      0.00000
      5       1.0041      0.00000
      6       2.9153      0.00000

 k-point    97 :      -0.1200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1064      1.00000
      3       1.3193      0.00000
      4       1.5329      0.00000
      5       1.6406      0.00000
      6       3.6269      0.00000

 k-point    98 :      -0.0800    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1171      1.00000
      3       1.3883      0.00000
      4       1.5452      0.00000
      5       1.6160      0.00000
      6       3.7303      0.00000

 k-point    99 :       0.1600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6087      1.00000
      3       0.2025      0.00000
      4       0.7003      0.00000
      5       1.2011      0.00000
      6       3.2244      0.00000

 k-point   100 :       0.2000    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4625      1.00000
      3      -0.0235      0.00000
      4       0.5083      0.00000
      5       1.1201      0.00000
      6       3.1895      0.00000

 k-point   101 :       0.2400    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2971      1.00000
      3      -0.2826      0.00000
      4       0.3668      0.00000
      5       1.0518      0.00000
      6       3.1476      0.00000

 k-point   102 :       0.2800    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1143      1.00000
      3      -0.5562      0.00000
      4       0.2684      0.00000
      5       0.9972      0.00000
      6       3.1078      0.00000

 k-point   103 :       0.3200    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9183      0.00000
      3      -0.8250      0.00000
      4       0.2031      0.00000
      5       0.9572      0.00000
      6       3.0761      0.00000

 k-point   104 :       0.3600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7240      0.00000
      3      -1.0655      0.00000
      4       0.1655      0.00000
      5       0.9329      0.00000
      6       3.0559      0.00000

 k-point   105 :       0.4000    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6128      0.00000
      3      -1.1925      0.00000
      4       0.1532      0.00000
      5       0.9248      0.00000
      6       3.0490      0.00000

 k-point   106 :      -0.1600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0318      1.00000
      3       1.0558      0.00000
      4       1.4283      0.00000
      5       1.6106      0.00000
      6       3.3707      0.00000

 k-point   107 :      -0.1200    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0531      1.00000
      3       1.1713      0.00000
      4       1.4361      0.00000
      5       1.5821      0.00000
      6       3.4880      0.00000

 k-point   108 :       0.2000    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3074      1.00000
      3      -0.1938      0.00000
      4       0.2741      0.00000
      5       1.0388      0.00000
      6       3.2044      0.00000

 k-point   109 :       0.2400    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1341      1.00000
      3      -0.4029      0.00000
      4       0.0994      0.00000
      5       0.9733      0.00000
      6       3.2029      0.00000

 k-point   110 :       0.2800    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9457      0.00537
      3      -0.6436      0.00000
      4      -0.0113      0.00000
      5       0.9235      0.00000
      6       3.1921      0.00000

 k-point   111 :       0.3200    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7504      0.00000
      3      -0.8855      0.00000
      4      -0.0754      0.00000
      5       0.8899      0.00000
      6       3.1803      0.00000

 k-point   112 :       0.3600    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5837      0.00000
      3      -1.0783      0.00000
      4      -0.1051      0.00000
      5       0.8730      0.00000
      6       3.1732      0.00000

 k-point   113 :      -0.2000    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9360      1.00000
      3       0.7587      0.00000
      4       1.3193      0.00000
      5       1.5743      0.00000
      6       3.1561      0.00000

 k-point   114 :      -0.1600    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9679      1.00000
      3       0.9040      0.00000
      4       1.3169      0.00000
      5       1.5470      0.00000
      6       3.2699      0.00000

 k-point   115 :      -0.1200    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9786      1.00000
      3       0.9750      0.00000
      4       1.2922      0.00000
      5       1.5353      0.00000
      6       3.3473      0.00000

 k-point   116 :       0.2400    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9550      0.10797
      3      -0.5412      0.00000
      4      -0.1257      0.00000
      5       0.9128      0.00000
      6       3.2406      0.00000

 k-point   117 :       0.2800    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7653      0.00000
      3      -0.7200      0.00000
      4      -0.2722      0.00000
      5       0.8695      0.00000
      6       3.2605      0.00000

 k-point   118 :       0.3200    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5830      0.00000
      3      -0.9132      0.00000
      4      -0.3441      0.00000
      5       0.8434      0.00000
      6       3.2685      0.00000

 k-point   119 :       0.3600    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4855      0.00000
      3      -1.0174      0.00000
      4      -0.3652      0.00000
      5       0.8347      0.00000
      6       3.2704      0.00000

 k-point   120 :      -0.2400    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8194      1.00000
      3       0.4431      0.00000
      4       1.2135      0.00000
      5       1.5336      0.00000
      6       2.9796      0.00000

 k-point   121 :      -0.2000    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8618      1.00000
      3       0.6054      0.00000
      4       1.1999      0.00000
      5       1.5077      0.00000
      6       3.0874      0.00000

 k-point   122 :      -0.1600    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8830      1.00000
      3       0.7309      0.00000
      4       1.1384      0.00000
      5       1.4940      0.00000
      6       3.2004      0.00000

 k-point   123 :       0.2800    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5851      0.00000
      3      -0.8002      0.00000
      4      -0.4799      0.00000
      5       0.8337      0.00000
      6       3.3057      0.00000

 k-point   124 :       0.3200    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4451      0.00000
      3      -0.8881      0.00000
      4      -0.5866      0.00000
      5       0.8159      0.00000
      6       3.3272      0.00000

 k-point   125 :      -0.2800    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6823      1.00000
      3       0.1206      0.00000
      4       1.1164      0.00000
      5       1.4916      0.00000
      6       2.8364      0.00000

 k-point   126 :      -0.2400    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7349      1.00000
      3       0.2909      0.00000
      4       1.0916      0.00000
      5       1.4654      0.00000
      6       2.9377      0.00000

 k-point   127 :      -0.2000    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7666      1.00000
      3       0.4485      0.00000
      4       0.9995      0.00000
      5       1.4521      0.00000
      6       3.0580      0.00000

 k-point   128 :      -0.1600    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7771      1.00000
      3       0.5282      0.00000
      4       0.9359      0.00000
      5       1.4506      0.00000
      6       3.1491      0.00000

 k-point   129 :       0.3200    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3889      0.00000
      3      -0.7789      0.00000
      4      -0.7789      0.00000
      5       0.8067      0.00000
      6       3.3476      0.00000

 k-point   130 :      -0.3200    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5251      1.00000
      3      -0.2002      0.00000
      4       1.0316      0.00000
      5       1.4511      0.00000
      6       2.7222      0.00000

 k-point   131 :      -0.2800    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5878      1.00000
      3      -0.0282      0.00000
      4       0.9957      0.00000
      5       1.4230      0.00000
      6       2.8165      0.00000

 k-point   132 :      -0.2400    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6297      1.00000
      3       0.1451      0.00000
      4       0.8807      0.00000
      5       1.4095      0.00000
      6       2.9321      0.00000

 k-point   133 :      -0.2000    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6507      1.00000
      3       0.2841      0.00000
      4       0.7574      0.00000
      5       1.4094      0.00000
      6       3.0618      0.00000

 k-point   134 :      -0.3600    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3489      1.00000
      3      -0.5126      0.00000
      4       0.9616      0.00000
      5       1.4151      0.00000
      6       2.6340      0.00000

 k-point   135 :      -0.3200    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4210      1.00000
      3      -0.3433      0.00000
      4       0.9149      0.00000
      5       1.3834      0.00000
      6       2.7205      0.00000

 k-point   136 :      -0.2800    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4729      1.00000
      3      -0.1646      0.00000
      4       0.7817      0.00000
      5       1.3684      0.00000
      6       2.8266      0.00000

 k-point   137 :      -0.2400    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5041      1.00000
      3       0.0057      0.00000
      4       0.6181      0.00000
      5       1.3693      0.00000
      6       2.9530      0.00000

 k-point   138 :      -0.2000    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5145      1.00000
      3       0.0956      0.00000
      4       0.5273      0.00000
      5       1.3711      0.00000
      6       3.0890      0.00000

 k-point   139 :      -0.4000    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1558      1.00000
      3      -0.8106      0.00000
      4       0.9078      0.00000
      5       1.3859      0.00000
      6       2.5694      0.00000

 k-point   140 :      -0.3600    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2362      1.00000
      3      -0.6478      0.00000
      4       0.8507      0.00000
      5       1.3496      0.00000
      6       2.6475      0.00000

 k-point   141 :      -0.3200    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2972      1.00000
      3      -0.4703      0.00000
      4       0.7025      0.00000
      5       1.3316      0.00000
      6       2.7422      0.00000

 k-point   142 :      -0.2800    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3381      1.00000
      3      -0.2875      0.00000
      4       0.5124      0.00000
      5       1.3319      0.00000
      6       2.8584      0.00000

 k-point   143 :      -0.2400    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3586      1.00000
      3      -0.1351      0.00000
      4       0.3495      0.00000
      5       1.3351      0.00000
      6       2.9916      0.00000

 k-point   144 :      -0.4400    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9522      0.05114
      3      -1.0854      0.00000
      4       0.8715      0.00000
      5       1.3654      0.00000
      6       2.5271      0.00000

 k-point   145 :      -0.4000    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0368      1.00000
      3      -0.9347      0.00000
      4       0.8041      0.00000
      5       1.3238      0.00000
      6       2.5960      0.00000

 k-point   146 :      -0.3600    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1049      1.00000
      3      -0.7639      0.00000
      4       0.6429      0.00000
      5       1.3015      0.00000
      6       2.6791      0.00000

 k-point   147 :      -0.3200    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1544      1.00000
      3      -0.5797      0.00000
      4       0.4337      0.00000
      5       1.2996      0.00000
      6       2.7841      0.00000

 k-point   148 :      -0.2800    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1844      1.00000
      3      -0.3988      0.00000
      4       0.2279      0.00000
      5       1.3025      0.00000
      6       2.9103      0.00000

 k-point   149 :      -0.2400    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1944      1.00000
      3      -0.2981      0.00000
      4       0.1175      0.00000
      5       1.3039      0.00000
      6       3.0034      0.00000

 k-point   150 :      -0.4800    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7701      0.00000
      3      -1.3034      0.00000
      4       0.8532      0.00000
      5       1.3549      0.00000
      6       2.5061      0.00000

 k-point   151 :      -0.4400    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8363      0.00000
      3      -1.1885      0.00000
      4       0.7760      0.00000
      5       1.3076      0.00000
      6       2.5654      0.00000

 k-point   152 :      -0.4000    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9026      0.00000
      3      -1.0354      0.00000
      4       0.6031      0.00000
      5       1.2804      0.00000
      6       2.6372      0.00000

 k-point   153 :      -0.3600    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9568      0.16078
      3      -0.8588      0.00000
      4       0.3789      0.00000
      5       1.2747      0.00000
      6       2.7308      0.00000

 k-point   154 :      -0.3200    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9942      0.99999
      3      -0.6708      0.00000
      4       0.1470      0.00000
      5       1.2756      0.00000
      6       2.8487      0.00000

 k-point   155 :      -0.2800    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0133      1.00000
      3      -0.5061      0.00000
      4      -0.0423      0.00000
      5       1.2768      0.00000
      6       2.9663      0.00000

 k-point   156 :      -0.4800   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7169      0.00000
      3      -1.3258      0.00000
      4       0.7666      0.00000
      5       1.3021      0.00000
      6       2.5553      0.00000

 k-point   157 :      -0.4400   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7230      0.00000
      3      -1.2500      0.00000
      4       0.5831      0.00000
      5       1.2695      0.00000
      6       2.6162      0.00000

 k-point   158 :      -0.4000   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7595      0.00000
      3      -1.1064      0.00000
      4       0.3463      0.00000
      5       1.2591      0.00000
      6       2.6988      0.00000

 k-point   159 :      -0.3600   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7957      0.00000
      3      -0.9292      0.00000
      4       0.0967      0.00000
      5       1.2564      0.00000
      6       2.8074      0.00000

 k-point   160 :      -0.3200   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8200      0.00000
      3      -0.7435      0.00000
      4      -0.1348      0.00000
      5       1.2555      0.00000
      6       2.9275      0.00000

 k-point   161 :      -0.2800   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8284      0.00000
      3      -0.6319      0.00000
      4      -0.2620      0.00000
      5       1.2552      0.00000
      6       2.9967      0.00000

 k-point   162 :      -0.4400   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6443      0.00000
      3      -1.2386      0.00000
      4       0.3355      0.00000
      5       1.2538      0.00000
      6       2.6882      0.00000

 k-point   163 :      -0.4000   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6230      0.00000
      3      -1.1332      0.00000
      4       0.0723      0.00000
      5       1.2465      0.00000
      6       2.7868      0.00000

 k-point   164 :      -0.3600   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6306      0.00000
      3      -0.9680      0.00000
      4      -0.1827      0.00000
      5       1.2419      0.00000
      6       2.9020      0.00000

 k-point   165 :      -0.3200   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6393      0.00000
      3      -0.7994      0.00000
      4      -0.3929      0.00000
      5       1.2395      0.00000
      6       2.9989      0.00000

 k-point   166 :      -0.4000   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5251      0.00000
      3      -1.0864      0.00000
      4      -0.1977      0.00000
      5       1.2373      0.00000
      6       2.8932      0.00000

 k-point   167 :      -0.3600   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4837      0.00000
      3      -0.9576      0.00000
      4      -0.4456      0.00000
      5       1.2312      0.00000
      6       2.9946      0.00000

 k-point   168 :      -0.3200   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4749      0.00000
      3      -0.8439      0.00000
      4      -0.5944      0.00000
      5       1.2291      0.00000
      6       3.0414      0.00000

 k-point   169 :      -0.3600   -0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3961      0.00000
      3      -0.8707      0.00000
      4      -0.6737      0.00000
      5       1.2254      0.00000
      6       3.0538      0.00000

 k-point   170 :       0.0800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9573      1.00000
      3       0.8632      0.00000
      4       1.3833      0.00000
      5       1.3833      0.00000
      6       3.4409      0.00000

 k-point   171 :       0.1200    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8618      1.00000
      3       0.6488      0.00000
      4       1.1878      0.00000
      5       1.3052      0.00000
      6       3.3700      0.00000

 k-point   172 :       0.1600    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7455      1.00000
      3       0.4032      0.00000
      4       1.0000      0.00000
      5       1.2252      0.00000
      6       3.2940      0.00000

 k-point   173 :       0.2000    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6088      1.00000
      3       0.1279      0.00000
      4       0.8425      0.00000
      5       1.1485      0.00000
      6       3.2165      0.00000

 k-point   174 :       0.2400    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4522      1.00000
      3      -0.1647      0.00000
      4       0.7184      0.00000
      5       1.0793      0.00000
      6       3.1442      0.00000

 k-point   175 :       0.2800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2769      1.00000
      3      -0.4606      0.00000
      4       0.6237      0.00000
      5       1.0207      0.00000
      6       3.0824      0.00000

 k-point   176 :       0.3200    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0852      1.00000
      3      -0.7485      0.00000
      4       0.5549      0.00000
      5       0.9751      0.00000
      6       3.0342      0.00000

 k-point   177 :       0.3600    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8841      0.00000
      3      -1.0161      0.00000
      4       0.5099      0.00000
      5       0.9438      0.00000
      6       3.0013      0.00000

 k-point   178 :       0.4000    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7069      0.00000
      3      -1.2273      0.00000
      4       0.4876      0.00000
      5       0.9280      0.00000
      6       2.9846      0.00000

 k-point   179 :      -0.0800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1277      1.00000
      3       1.4938      0.00000
      4       1.5577      0.00000
      5       1.5577      0.00000
      6       3.8295      0.00000

 k-point   180 :       0.1200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7561      1.00000
      3       0.4555      0.00000
      4       1.0125      0.00000
      5       1.1619      0.00000
      6       3.3660      0.00000

 k-point   181 :       0.1600    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6298      1.00000
      3       0.2366      0.00000
      4       0.8084      0.00000
      5       1.0614      0.00000
      6       3.3437      0.00000

 k-point   182 :       0.2000    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4834      1.00000
      3      -0.0146      0.00000
      4       0.6364      0.00000
      5       0.9768      0.00000
      6       3.3099      0.00000

 k-point   183 :       0.2400    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3178      1.00000
      3      -0.2890      0.00000
      4       0.5068      0.00000
      5       0.9054      0.00000
      6       3.2697      0.00000

 k-point   184 :       0.2800    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1347      1.00000
      3      -0.5701      0.00000
      4       0.4137      0.00000
      5       0.8481      0.00000
      6       3.2314      0.00000

 k-point   185 :       0.3200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9381      0.00014
      3      -0.8426      0.00000
      4       0.3506      0.00000
      5       0.8063      0.00000
      6       3.2008      0.00000

 k-point   186 :       0.3600    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7430      0.00000
      3      -1.0854      0.00000
      4       0.3139      0.00000
      5       0.7808      0.00000
      6       3.1813      0.00000

 k-point   187 :       0.4000    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6307      0.00000
      3      -1.2139      0.00000
      4       0.3018      0.00000
      5       0.7723      0.00000
      6       3.1746      0.00000

 k-point   188 :      -0.1200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0744      1.00000
      3       1.3130      0.00000
      4       1.4644      0.00000
      5       1.5195      0.00000
      6       3.5634      0.00000

 k-point   189 :       0.1600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4938      1.00000
      3       0.0557      0.00000
      4       0.5862      0.00000
      5       0.9434      0.00000
      6       3.3621      0.00000

 k-point   190 :       0.2000    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3383      1.00000
      3      -0.1563      0.00000
      4       0.3924      0.00000
      5       0.8526      0.00000
      6       3.3664      0.00000

 k-point   191 :       0.2400    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1646      1.00000
      3      -0.4012      0.00000
      4       0.2517      0.00000
      5       0.7811      0.00000
      6       3.3586      0.00000

 k-point   192 :       0.2800    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9755      0.95140
      3      -0.6608      0.00000
      4       0.1583      0.00000
      5       0.7273      0.00000
      6       3.3450      0.00000

 k-point   193 :       0.3200    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7789      0.00000
      3      -0.9115      0.00000
      4       0.1011      0.00000
      5       0.6913      0.00000
      6       3.3322      0.00000

 k-point   194 :       0.3600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6100      0.00000
      3      -1.1092      0.00000
      4       0.0738      0.00000
      5       0.6731      0.00000
      6       3.3247      0.00000

 k-point   195 :      -0.1600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9998      1.00000
      3       1.0603      0.00000
      4       1.3560      0.00000
      5       1.4940      0.00000
      6       3.3258      0.00000

 k-point   196 :      -0.1200    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0105      1.00000
      3       1.1460      0.00000
      4       1.3468      0.00000
      5       1.4615      0.00000
      6       3.3552      0.00000

 k-point   197 :       0.2000    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1746      1.00000
      3      -0.3142      0.00000
      4       0.1637      0.00000
      5       0.7613      0.00000
      6       3.4044      0.00000

 k-point   198 :       0.2400    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9945      0.99999
      3      -0.5086      0.00000
      4      -0.0062      0.00000
      5       0.6932      0.00000
      6       3.4264      0.00000

 k-point   199 :       0.2800    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8030      0.00000
      3      -0.7325      0.00000
      4      -0.1096      0.00000
      5       0.6452      0.00000
      6       3.4359      0.00000

 k-point   200 :       0.3200    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6172      0.00000
      3      -0.9473      0.00000
      4      -0.1635      0.00000
      5       0.6165      0.00000
      6       3.4387      0.00000

 k-point   201 :       0.3600    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5159      0.00000
      3      -1.0597      0.00000
      4      -0.1802      0.00000
      5       0.6070      0.00000
      6       3.4391      0.00000

 k-point   202 :      -0.2000    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9042      1.00000
      3       0.7712      0.00000
      4       1.2435      0.00000
      5       1.4629      0.00000
      6       3.1333      0.00000

 k-point   203 :      -0.1600    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9254      1.00000
      3       0.9053      0.00000
      4       1.2164      0.00000
      5       1.4287      0.00000
      6       3.1706      0.00000

 k-point   204 :       0.2400    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8113      0.00000
      3      -0.6301      0.00000
      4      -0.2239      0.00000
      5       0.6310      0.00000
      6       3.4747      0.00000

 k-point   205 :       0.2800    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6256      0.00000
      3      -0.7859      0.00000
      4      -0.3613      0.00000
      5       0.5905      0.00000
      6       3.5039      0.00000

 k-point   206 :       0.3200    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4759      0.00000
      3      -0.9322      0.00000
      4      -0.4193      0.00000
      5       0.5705      0.00000
      6       3.5172      0.00000

 k-point   207 :      -0.2400    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7877      1.00000
      3       0.4614      0.00000
      4       1.1349      0.00000
      5       1.4263      0.00000
      6       2.9815      0.00000

 k-point   208 :      -0.2000    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8194      1.00000
      3       0.6215      0.00000
      4       1.0926      0.00000
      5       1.3966      0.00000
      6       3.0235      0.00000

 k-point   209 :      -0.1600    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8300      1.00000
      3       0.7059      0.00000
      4       1.0377      0.00000
      5       1.3942      0.00000
      6       3.0435      0.00000

 k-point   210 :       0.2800    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4671      0.00000
      3      -0.8234      0.00000
      4      -0.5615      0.00000
      5       0.5587      0.00000
      6       3.5453      0.00000

 k-point   211 :       0.3200    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3934      0.00000
      3      -0.8415      0.00000
      4      -0.6439      0.00000
      5       0.5483      0.00000
      6       3.5591      0.00000

 k-point   212 :      -0.2800    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6507      1.00000
      3       0.1430      0.00000
      4       1.0355      0.00000
      5       1.3865      0.00000
      6       2.8632      0.00000

 k-point   213 :      -0.2400    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6927      1.00000
      3       0.3159      0.00000
      4       0.9800      0.00000
      5       1.3613      0.00000
      6       2.9107      0.00000

 k-point   214 :      -0.2000    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7138      1.00000
      3       0.4571      0.00000
      4       0.8753      0.00000
      5       1.3657      0.00000
      6       2.9473      0.00000

 k-point   215 :      -0.3200    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4937      1.00000
      3      -0.1749      0.00000
      4       0.9488      0.00000
      5       1.3467      0.00000
      6       2.7718      0.00000

 k-point   216 :      -0.2800    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5458      1.00000
      3       0.0026      0.00000
      4       0.8812      0.00000
      5       1.3241      0.00000
      6       2.8242      0.00000

 k-point   217 :      -0.2400    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5772      1.00000
      3       0.1724      0.00000
      4       0.7435      0.00000
      5       1.3365      0.00000
      6       2.8742      0.00000

 k-point   218 :      -0.2000    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5876      1.00000
      3       0.2636      0.00000
      4       0.6575      0.00000
      5       1.3454      0.00000
      6       2.9010      0.00000

 k-point   219 :      -0.3600    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3178      1.00000
      3      -0.4852      0.00000
      4       0.8774      0.00000
      5       1.3103      0.00000
      6       2.7024      0.00000

 k-point   220 :      -0.3200    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3794      1.00000
      3      -0.3087      0.00000
      4       0.7984      0.00000
      5       1.2879      0.00000
      6       2.7575      0.00000

 k-point   221 :      -0.2800    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4207      1.00000
      3      -0.1272      0.00000
      4       0.6380      0.00000
      5       1.3063      0.00000
      6       2.8144      0.00000

 k-point   222 :      -0.2400    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4414      1.00000
      3       0.0248      0.00000
      4       0.4849      0.00000
      5       1.3257      0.00000
      6       2.8706      0.00000

 k-point   223 :      -0.4000    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1251      1.00000
      3      -0.7817      0.00000
      4       0.8227      0.00000
      5       1.2804      0.00000
      6       2.6520      0.00000

 k-point   224 :      -0.3600    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1950      1.00000
      3      -0.6106      0.00000
      4       0.7327      0.00000
      5       1.2560      0.00000
      6       2.7066      0.00000

 k-point   225 :      -0.3200    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2455      1.00000
      3      -0.4271      0.00000
      4       0.5553      0.00000
      5       1.2775      0.00000
      6       2.7632      0.00000

 k-point   226 :      -0.2800    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2760      1.00000
      3      -0.2475      0.00000
      4       0.3621      0.00000
      5       1.3053      0.00000
      6       2.8373      0.00000

 k-point   227 :      -0.2400    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2862      1.00000
      3      -0.1475      0.00000
      4       0.2554      0.00000
      5       1.3166      0.00000
      6       2.8901      0.00000

 k-point   228 :      -0.4400    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9221      0.00000
      3      -1.0551      0.00000
      4       0.7857      0.00000
      5       1.2593      0.00000
      6       2.6191      0.00000

 k-point   229 :      -0.4000    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9963      1.00000
      3      -0.8955      0.00000
      4       0.6853      0.00000
      5       1.2311      0.00000
      6       2.6703      0.00000

 k-point   230 :      -0.3600    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0539      1.00000
      3      -0.7170      0.00000
      4       0.4938      0.00000
      5       1.2530      0.00000
      6       2.7215      0.00000

 k-point   231 :      -0.3200    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0931      1.00000
      3      -0.5293      0.00000
      4       0.2758      0.00000
      5       1.2858      0.00000
      6       2.7973      0.00000

 k-point   232 :      -0.2800    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1128      1.00000
      3      -0.3662      0.00000
      4       0.0930      0.00000
      5       1.3064      0.00000
      6       2.8953      0.00000

 k-point   233 :      -0.4800    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7412      0.00000
      3      -1.2717      0.00000
      4       0.7671      0.00000
      5       1.2483      0.00000
      6       2.6028      0.00000

 k-point   234 :      -0.4400    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7969      0.00000
      3      -1.1474      0.00000
      4       0.6566      0.00000
      5       1.2154      0.00000
      6       2.6483      0.00000

 k-point   235 :      -0.4000    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8528      0.00000
      3      -0.9857      0.00000
      4       0.4528      0.00000
      5       1.2351      0.00000
      6       2.6919      0.00000

 k-point   236 :      -0.3600    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8967      0.00000
      3      -0.8025      0.00000
      4       0.2173      0.00000
      5       1.2696      0.00000
      6       2.7612      0.00000

 k-point   237 :      -0.3200    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9240      0.00000
      3      -0.6162      0.00000
      4      -0.0065      0.00000
      5       1.2961      0.00000
      6       2.8651      0.00000

 k-point   238 :      -0.2800    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9333      0.00001
      3      -0.5064      0.00000
      4      -0.1296      0.00000
      5       1.3057      0.00000
      6       2.9789      0.00000

 k-point   239 :      -0.4800   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6790      0.00000
      3      -1.2830      0.00000
      4       0.6470      0.00000
      5       1.2100      0.00000
      6       2.6410      0.00000

 k-point   240 :      -0.4400   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6752      0.00000
      3      -1.1976      0.00000
      4       0.4324      0.00000
      5       1.2257      0.00000
      6       2.6766      0.00000

 k-point   241 :      -0.4000   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7015      0.00000
      3      -1.0458      0.00000
      4       0.1832      0.00000
      5       1.2590      0.00000
      6       2.7372      0.00000

 k-point   242 :      -0.3600   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7277      0.00000
      3      -0.8639      0.00000
      4      -0.0643      0.00000
      5       1.2876      0.00000
      6       2.8331      0.00000

 k-point   243 :      -0.3200   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7426      0.00000
      3      -0.6931      0.00000
      4      -0.2684      0.00000
      5       1.3033      0.00000
      6       2.9621      0.00000

 k-point   244 :      -0.4400   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5888      0.00000
      3      -1.1749      0.00000
      4       0.1719      0.00000
      5       1.2553      0.00000
      6       2.7289      0.00000

 k-point   245 :      -0.4000   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5589      0.00000
      3      -1.0609      0.00000
      4      -0.0914      0.00000
      5       1.2829      0.00000
      6       2.8153      0.00000

 k-point   246 :      -0.3600   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5580      0.00000
      3      -0.8939      0.00000
      4      -0.3342      0.00000
      5       1.3009      0.00000
      6       2.9328      0.00000

 k-point   247 :      -0.3200   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5601      0.00000
      3      -0.7767      0.00000
      4      -0.4748      0.00000
      5       1.3070      0.00000
      6       3.0330      0.00000

 k-point   248 :      -0.4000   -0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4578      0.00000
      3      -1.0024      0.00000
      4      -0.3534      0.00000
      5       1.2999      0.00000
      6       2.9227      0.00000

 k-point   249 :      -0.3600   -0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4161      0.00000
      3      -0.8730      0.00000
      4      -0.5770      0.00000
      5       1.3084      0.00000
      6       3.0325      0.00000

 k-point   250 :      -0.3600   -0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3572      0.00000
      3      -0.7679      0.00000
      4      -0.7679      0.00000
      5       1.3108      0.00000
      6       3.0727      0.00000

 k-point   251 :       0.1200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6403      1.00000
      3       0.2778      0.00000
      4       0.9120      0.00000
      5       0.9120      0.00000
      6       3.4319      0.00000

 k-point   252 :       0.1600    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5042      1.00000
      3       0.0808      0.00000
      4       0.6765      0.00000
      5       0.8189      0.00000
      6       3.4745      0.00000

 k-point   253 :       0.2000    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3486      1.00000
      3      -0.1474      0.00000
      4       0.4870      0.00000
      5       0.7370      0.00000
      6       3.4973      0.00000

 k-point   254 :       0.2400    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1748      1.00000
      3      -0.4027      0.00000
      4       0.3510      0.00000
      5       0.6689      0.00000
      6       3.4782      0.00000

 k-point   255 :       0.2800    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9854      0.99892
      3      -0.6673      0.00000
      4       0.2594      0.00000
      5       0.6166      0.00000
      6       3.4607      0.00000

 k-point   256 :       0.3200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7885      0.00000
      3      -0.9203      0.00000
      4       0.2028      0.00000
      5       0.5811      0.00000
      6       3.4451      0.00000

 k-point   257 :       0.3600    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6188      0.00000
      3      -1.1195      0.00000
      4       0.1755      0.00000
      5       0.5631      0.00000
      6       3.4362      0.00000

 k-point   258 :      -0.1200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0211      1.00000
      3       1.2693      0.00000
      4       1.3663      0.00000
      5       1.3663      0.00000
      6       3.3608      0.00000

 k-point   259 :       0.1600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3589      1.00000
      3      -0.0846      0.00000
      4       0.4825      0.00000
      5       0.6617      0.00000
      6       3.5299      0.00000

 k-point   260 :       0.2000    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1950      1.00000
      3      -0.2770      0.00000
      4       0.2848      0.00000
      5       0.5690      0.00000
      6       3.5736      0.00000

 k-point   261 :       0.2400    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0144      1.00000
      3      -0.5024      0.00000
      4       0.1414      0.00000
      5       0.5017      0.00000
      6       3.5993      0.00000

 k-point   262 :       0.2800    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8220      0.00000
      3      -0.7429      0.00000
      4       0.0514      0.00000
      5       0.4542      0.00000
      6       3.6098      0.00000

 k-point   263 :       0.3200    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6347      0.00000
      3      -0.9653      0.00000
      4       0.0023      0.00000
      5       0.4256      0.00000
      6       3.6122      0.00000

 k-point   264 :       0.3600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5316      0.00000
      3      -1.0810      0.00000
      4      -0.0133      0.00000
      5       0.4161      0.00000
      6       3.6124      0.00000

 k-point   265 :      -0.1600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9466      1.00000
      3       1.0631      0.00000
      4       1.2531      0.00000
      5       1.3197      0.00000
      6       3.1503      0.00000

 k-point   266 :       0.2000    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0241      1.00000
      3      -0.4192      0.00000
      4       0.0688      0.00000
      5       0.4679      0.00000
      6       3.6337      0.00000

 k-point   267 :       0.2400    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8395      0.00000
      3      -0.5940      0.00000
      4      -0.0963      0.00000
      5       0.4015      0.00000
      6       3.6760      0.00000

 k-point   268 :       0.2800    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6511      0.00000
      3      -0.7939      0.00000
      4      -0.1927      0.00000
      5       0.3593      0.00000
      6       3.7009      0.00000

 k-point   269 :       0.3200    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4966      0.00000
      3      -0.9609      0.00000
      4      -0.2350      0.00000
      5       0.3385      0.00000
      6       3.7120      0.00000

 k-point   270 :      -0.2000    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8512      1.00000
      3       0.7894      0.00000
      4       1.1365      0.00000
      5       1.2975      0.00000
      6       2.9834      0.00000

 k-point   271 :      -0.1600    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8617      1.00000
      3       0.8878      0.00000
      4       1.1093      0.00000
      5       1.2621      0.00000
      6       2.9666      0.00000

 k-point   272 :       0.2400    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6574      0.00000
      3      -0.6930      0.00000
      4      -0.3039      0.00000
      5       0.3400      0.00000
      6       3.7308      0.00000

 k-point   273 :       0.2800    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4892      0.00000
      3      -0.8123      0.00000
      4      -0.4311      0.00000
      5       0.3055      0.00000
      6       3.7632      0.00000

 k-point   274 :       0.3200    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4062      0.00000
      3      -0.8835      0.00000
      4      -0.4695      0.00000
      5       0.2942      0.00000
      6       3.7738      0.00000

 k-point   275 :      -0.2400    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7349      1.00000
      3       0.4901      0.00000
      4       1.0245      0.00000
      5       1.2705      0.00000
      6       2.8655      0.00000

 k-point   276 :      -0.2000    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7560      1.00000
      3       0.6379      0.00000
      4       0.9703      0.00000
      5       1.2374      0.00000
      6       2.8314      0.00000

 k-point   277 :       0.2800    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3778      0.00000
      3      -0.7815      0.00000
      4      -0.6234      0.00000
      5       0.2804      0.00000
      6       3.7952      0.00000

 k-point   278 :      -0.2800    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5981      1.00000
      3       0.1791      0.00000
      4       0.9224      0.00000
      5       1.2381      0.00000
      6       2.7895      0.00000

 k-point   279 :      -0.2400    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6296      1.00000
      3       0.3498      0.00000
      4       0.8505      0.00000
      5       1.2134      0.00000
      6       2.7464      0.00000

 k-point   280 :      -0.2000    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6401      1.00000
      3       0.4447      0.00000
      4       0.7746      0.00000
      5       1.2191      0.00000
      6       2.7280      0.00000

 k-point   281 :      -0.3200    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4415      1.00000
      3      -0.1336      0.00000
      4       0.8337      0.00000
      5       1.2032      0.00000
      6       2.7439      0.00000

 k-point   282 :      -0.2800    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4830      1.00000
      3       0.0467      0.00000
      4       0.7480      0.00000
      5       1.1860      0.00000
      6       2.7033      0.00000

 k-point   283 :      -0.2400    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5038      1.00000
      3       0.1996      0.00000
      4       0.6149      0.00000
      5       1.2061      0.00000
      6       2.6722      0.00000

 k-point   284 :      -0.3600    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2660      1.00000
      3      -0.4402      0.00000
      4       0.7607      0.00000
      5       1.1695      0.00000
      6       2.7175      0.00000

 k-point   285 :      -0.3200    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3171      1.00000
      3      -0.2581      0.00000
      4       0.6627      0.00000
      5       1.1568      0.00000
      6       2.6891      0.00000

 k-point   286 :      -0.2800    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3479      1.00000
      3      -0.0798      0.00000
      4       0.4962      0.00000
      5       1.1907      0.00000
      6       2.6558      0.00000

 k-point   287 :      -0.2400    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3582      1.00000
      3       0.0205      0.00000
      4       0.3949      0.00000
      5       1.2081      0.00000
      6       2.6417      0.00000

 k-point   288 :      -0.4000    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0740      1.00000
      3      -0.7339      0.00000
      4       0.7048      0.00000
      5       1.1409      0.00000
      6       2.7021      0.00000

 k-point   289 :      -0.3600    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1334      1.00000
      3      -0.5556      0.00000
      4       0.5956      0.00000
      5       1.1294      0.00000
      6       2.6901      0.00000

 k-point   290 :      -0.3200    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1735      1.00000
      3      -0.3690      0.00000
      4       0.4074      0.00000
      5       1.1731      0.00000
      6       2.6651      0.00000

 k-point   291 :      -0.2800    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1936      1.00000
      3      -0.2073      0.00000
      4       0.2349      0.00000
      5       1.2083      0.00000
      6       2.6478      0.00000

 k-point   292 :      -0.4400    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8721      0.00000
      3      -1.0050      0.00000
      4       0.6671      0.00000
      5       1.1202      0.00000
      6       2.6933      0.00000

 k-point   293 :      -0.4000    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9357      0.00004
      3      -0.8372      0.00000
      4       0.5472      0.00000
      5       1.1071      0.00000
      6       2.6956      0.00000

 k-point   294 :      -0.3600    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9829      0.99665
      3      -0.6527      0.00000
      4       0.3430      0.00000
      5       1.1561      0.00000
      6       2.6843      0.00000

 k-point   295 :      -0.3200    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0118      1.00000
      3      -0.4673      0.00000
      4       0.1317      0.00000
      5       1.2049      0.00000
      6       2.6771      0.00000

 k-point   296 :      -0.2800    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0215      1.00000
      3      -0.3591      0.00000
      4       0.0132      0.00000
      5       1.2242      0.00000
      6       2.6754      0.00000

 k-point   297 :      -0.4800    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6931      0.00000
      3      -1.2191      0.00000
      4       0.6482      0.00000
      5       1.1094      0.00000
      6       2.6890      0.00000

 k-point   298 :      -0.4400    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7381      0.00000
      3      -1.0862      0.00000
      4       0.5179      0.00000
      5       1.0927      0.00000
      6       2.7000      0.00000

 k-point   299 :      -0.4000    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7835      0.00000
      3      -0.9169      0.00000
      4       0.3006      0.00000
      5       1.1428      0.00000
      6       2.7007      0.00000

 k-point   300 :      -0.3600    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8171      0.00000
      3      -0.7298      0.00000
      4       0.0664      0.00000
      5       1.1998      0.00000
      6       2.7109      0.00000

 k-point   301 :      -0.3200    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8346      0.00000
      3      -0.5598      0.00000
      4      -0.1301      0.00000
      5       1.2347      0.00000
      6       2.7261      0.00000

 k-point   302 :      -0.4800   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6224      0.00000
      3      -1.2192      0.00000
      4       0.5081      0.00000
      5       1.0877      0.00000
      6       2.7015      0.00000

 k-point   303 :      -0.4400   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6089      0.00000
      3      -1.1246      0.00000
      4       0.2795      0.00000
      5       1.1355      0.00000
      6       2.7092      0.00000

 k-point   304 :      -0.4000   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6249      0.00000
      3      -0.9662      0.00000
      4       0.0295      0.00000
      5       1.1954      0.00000
      6       2.7338      0.00000

 k-point   305 :      -0.3600   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6416      0.00000
      3      -0.7845      0.00000
      4      -0.2056      0.00000
      5       1.2402      0.00000
      6       2.7764      0.00000

 k-point   306 :      -0.3200   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6480      0.00000
      3      -0.6681      0.00000
      4      -0.3398      0.00000
      5       1.2565      0.00000
      6       2.8039      0.00000

 k-point   307 :      -0.4400   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5157      0.00000
      3      -1.0906      0.00000
      4       0.0175      0.00000
      5       1.1937      0.00000
      6       2.7412      0.00000

 k-point   308 :      -0.4000   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4784      0.00000
      3      -0.9693      0.00000
      4      -0.2383      0.00000
      5       1.2423      0.00000
      6       2.8039      0.00000

 k-point   309 :      -0.3600   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4710      0.00000
      3      -0.8111      0.00000
      4      -0.4541      0.00000
      5       1.2693      0.00000
      6       2.8815      0.00000

 k-point   310 :      -0.4000   -0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3789      0.00000
      3      -0.8989      0.00000
      4      -0.4855      0.00000
      5       1.2734      0.00000
      6       2.9122      0.00000

 k-point   311 :      -0.3600   -0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3474      0.00000
      3      -0.7951      0.00000
      4      -0.6470      0.00000
      5       1.2842      0.00000
      6       3.0126      0.00000

 k-point   312 :       0.1600    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2051      1.00000
      3      -0.2279      0.00000
      4       0.3926      0.00000
      5       0.3926      0.00000
      6       3.6829      0.00000

 k-point   313 :       0.2000    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0340      1.00000
      3      -0.3912      0.00000
      4       0.1687      0.00000
      5       0.3187      0.00000
      6       3.7631      0.00000

 k-point   314 :       0.2400    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8490      0.00000
      3      -0.5869      0.00000
      4       0.0131      0.00000
      5       0.2623      0.00000
      6       3.8289      0.00000

 k-point   315 :       0.2800    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6597      0.00000
      3      -0.7985      0.00000
      4      -0.0771      0.00000
      5       0.2242      0.00000
      6       3.8724      0.00000

 k-point   316 :       0.3200    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5038      0.00000
      3      -0.9707      0.00000
      4      -0.1176      0.00000
      5       0.2050      0.00000
      6       3.8930      0.00000

 k-point   317 :      -0.1600    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.8723      1.00000
      3       1.0272      0.00000
      4       1.1355      0.00000
      5       1.1355      0.00000
      6       2.9381      0.00000

 k-point   318 :       0.2000    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8581      0.00000
      3      -0.5119      0.00000
      4      -0.0088      0.00000
      5       0.1839      0.00000
      6       3.8599      0.00000

 k-point   319 :       0.2400    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6740      0.00000
      3      -0.6576      0.00000
      4      -0.1727      0.00000
      5       0.1221      0.00000
      6       3.9264      0.00000

 k-point   320 :       0.2800    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5020      0.00000
      3      -0.8181      0.00000
      4      -0.2648      0.00000
      5       0.0889      0.00000
      6       3.9609      0.00000

 k-point   321 :       0.3200    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4149      0.00000
      3      -0.9046      0.00000
      4      -0.2927      0.00000
      5       0.0782      0.00000
      6       3.9731      0.00000

 k-point   322 :      -0.2000    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7771      1.00000
      3       0.8083      0.00000
      4       1.0151      0.00000
      5       1.0932      0.00000
      6       2.7630      0.00000

 k-point   323 :       0.2400    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5035      0.00000
      3      -0.7221      0.00000
      4      -0.3646      0.00000
      5       0.0576      0.00000
      6       3.9848      0.00000

 k-point   324 :       0.2800    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3780      0.00000
      3      -0.7813      0.00000
      4      -0.4794      0.00000
      5       0.0302      0.00000
      6       4.0160      0.00000

 k-point   325 :      -0.2400    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6611      1.00000
      3       0.5264      0.00000
      4       0.8999      0.00000
      5       1.0806      0.00000
      6       2.6448      0.00000

 k-point   326 :      -0.2000    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6716      1.00000
      3       0.6349      0.00000
      4       0.8596      0.00000
      5       1.0441      0.00000
      6       2.6064      0.00000

 k-point   327 :       0.2800    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3299      0.00000
      3      -0.6650      0.00000
      4      -0.6649      0.00000
      5       0.0135      0.00000
      6       4.0350      0.00000

 k-point   328 :      -0.2800    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5247      1.00000
      3       0.2271      0.00000
      4       0.7954      0.00000
      5       1.0624      0.00000
      6       2.5835      0.00000

 k-point   329 :      -0.2400    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5456      1.00000
      3       0.3852      0.00000
      4       0.7224      0.00000
      5       1.0321      0.00000
      6       2.5094      0.00000

 k-point   330 :      -0.3200    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3686      1.00000
      3      -0.0775      0.00000
      4       0.7047      0.00000
      5       1.0383      0.00000
      6       2.5697      0.00000

 k-point   331 :      -0.2800    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3996      1.00000
      3       0.1007      0.00000
      4       0.6132      0.00000
      5       1.0197      0.00000
      6       2.4702      0.00000

 k-point   332 :      -0.2400    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4099      1.00000
      3       0.2041      0.00000
      4       0.5228      0.00000
      5       1.0317      0.00000
      6       2.4318      0.00000

 k-point   333 :      -0.3600    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1938      1.00000
      3      -0.3784      0.00000
      4       0.6303      0.00000
      5       1.0119      0.00000
      6       2.5892      0.00000

 k-point   334 :      -0.3200    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2344      1.00000
      3      -0.1934      0.00000
      4       0.5250      0.00000
      5       1.0028      0.00000
      6       2.4792      0.00000

 k-point   335 :      -0.2800    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2547      1.00000
      3      -0.0317      0.00000
      4       0.3733      0.00000
      5       1.0346      0.00000
      6       2.4094      0.00000

 k-point   336 :      -0.4000    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0028      1.00000
      3      -0.6679      0.00000
      4       0.5734      0.00000
      5       0.9876      0.00000
      6       2.6255      0.00000

 k-point   337 :      -0.3600    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0517      1.00000
      3      -0.4840      0.00000
      4       0.4561      0.00000
      5       0.9839      0.00000
      6       2.5215      0.00000

 k-point   338 :      -0.3200    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0813      1.00000
      3      -0.3001      0.00000
      4       0.2716      0.00000
      5       1.0329      0.00000
      6       2.4340      0.00000

 k-point   339 :      -0.2800    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0912      1.00000
      3      -0.1923      0.00000
      4       0.1592      0.00000
      5       1.0566      0.00000
      6       2.3997      0.00000

 k-point   340 :      -0.4400    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8025      0.00000
      3      -0.9355      0.00000
      4       0.5351      0.00000
      5       0.9693      0.00000
      6       2.6617      0.00000

 k-point   341 :      -0.4000    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8554      0.00000
      3      -0.7606      0.00000
      4       0.4067      0.00000
      5       0.9668      0.00000
      6       2.5782      0.00000

 k-point   342 :      -0.3600    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8922      0.00000
      3      -0.5728      0.00000
      4       0.2018      0.00000
      5       1.0272      0.00000
      6       2.4910      0.00000

 k-point   343 :      -0.3200    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9110      0.00000
      3      -0.4043      0.00000
      4       0.0161      0.00000
      5       1.0734      0.00000
      6       2.4352      0.00000

 k-point   344 :      -0.4800    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6261      0.00000
      3      -1.1460      0.00000
      4       0.5158      0.00000
      5       0.9595      0.00000
      6       2.6839      0.00000

 k-point   345 :      -0.4400    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6603      0.00000
      3      -1.0053      0.00000
      4       0.3770      0.00000
      5       0.9551      0.00000
      6       2.6269      0.00000

 k-point   346 :      -0.4000    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6952      0.00000
      3      -0.8300      0.00000
      4       0.1571      0.00000
      5       1.0209      0.00000
      6       2.5586      0.00000

 k-point   347 :      -0.3600    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7188      0.00000
      3      -0.6444      0.00000
      4      -0.0654      0.00000
      5       1.0830      0.00000
      6       2.5024      0.00000

 k-point   348 :      -0.3200    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7270      0.00000
      3      -0.5297      0.00000
      4      -0.1935      0.00000
      5       1.1076      0.00000
      6       2.4803      0.00000

 k-point   349 :      -0.4800   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5475      0.00000
      3      -1.1348      0.00000
      4       0.3670      0.00000
      5       0.9510      0.00000
      6       2.6463      0.00000

 k-point   350 :      -0.4400   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5245      0.00000
      3      -1.0318      0.00000
      4       0.1352      0.00000
      5       1.0168      0.00000
      6       2.6066      0.00000

 k-point   351 :      -0.4000   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5308      0.00000
      3      -0.8689      0.00000
      4      -0.1081      0.00000
      5       1.0873      0.00000
      6       2.5752      0.00000

 k-point   352 :      -0.3600   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5388      0.00000
      3      -0.7003      0.00000
      4      -0.3150      0.00000
      5       1.1306      0.00000
      6       2.5579      0.00000

 k-point   353 :      -0.4400   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4262      0.00000
      3      -0.9866      0.00000
      4      -0.1215      0.00000
      5       1.0884      0.00000
      6       2.6095      0.00000

 k-point   354 :      -0.4000   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3838      0.00000
      3      -0.8603      0.00000
      4      -0.3628      0.00000
      5       1.1417      0.00000
      6       2.6337      0.00000

 k-point   355 :      -0.3600   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3746      0.00000
      3      -0.7470      0.00000
      4      -0.5102      0.00000
      5       1.1613      0.00000
      6       2.6520      0.00000

 k-point   356 :      -0.4000   -0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2953      0.00000
      3      -0.7770      0.00000
      4      -0.5856      0.00000
      5       1.1718      0.00000
      6       2.7311      0.00000

 k-point   357 :       0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6820      0.00000
      3      -0.5997      0.00000
      4      -0.0678      0.00000
      5      -0.0678      0.00000
      6       4.0551      0.00000

 k-point   358 :       0.2400    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5091      0.00000
      3      -0.6957      0.00000
      4      -0.2560      0.00000
      5      -0.1076      0.00000
      6       4.1291      0.00000

 k-point   359 :       0.2800    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3795      0.00000
      3      -0.7867      0.00000
      4      -0.3507      0.00000
      5      -0.1275      0.00000
      6       4.1676      0.00000

 k-point   360 :      -0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6821      1.00000
      3       0.7900      0.00000
      4       0.8913      0.00000
      5       0.8914      0.00000
      6       2.5620      0.00000

 k-point   361 :       0.2400    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3712      0.00000
      3      -0.7013      0.00000
      4      -0.4054      0.00000
      5      -0.2035      0.00000
      6       4.2183      0.00000

 k-point   362 :       0.2800    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3129      0.00000
      3      -0.6858      0.00000
      4      -0.4986      0.00000
      5      -0.2222      0.00000
      6       4.2429      0.00000

 k-point   363 :      -0.2400    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5665      1.00000
      3       0.5649      0.00000
      4       0.7736      0.00000
      5       0.8641      0.00000
      6       2.4164      0.00000

 k-point   364 :      -0.2800    0.2800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4307      1.00000
      3       0.2835      0.00000
      4       0.6670      0.00000
      5       0.8656      0.00000
      6       2.3358      0.00000

 k-point   365 :      -0.2400    0.2800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4410      1.00000
      3       0.4001      0.00000
      4       0.6177      0.00000
      5       0.8284      0.00000
      6       2.2860      0.00000

 k-point   366 :      -0.3200    0.3200    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2752      1.00000
      3      -0.0091      0.00000
      4       0.5749      0.00000
      5       0.8593      0.00000
      6       2.3168      0.00000

 k-point   367 :      -0.2800    0.3200    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2957      1.00000
      3       0.1568      0.00000
      4       0.4898      0.00000
      5       0.8317      0.00000
      6       2.2213      0.00000

 k-point   368 :      -0.3600    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1014      1.00000
      3      -0.3015      0.00000
      4       0.4993      0.00000
      5       0.8460      0.00000
      6       2.3485      0.00000

 k-point   369 :      -0.3200    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1315      1.00000
      3      -0.1183      0.00000
      4       0.3954      0.00000
      5       0.8326      0.00000
      6       2.2183      0.00000

 k-point   370 :      -0.2800    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1416      1.00000
      3      -0.0080      0.00000
      4       0.2946      0.00000
      5       0.8490      0.00000
      6       2.1692      0.00000

 k-point   371 :      -0.4000    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9117      0.00000
      3      -0.5848      0.00000
      4       0.4416      0.00000
      5       0.8302      0.00000
      6       2.4140      0.00000

 k-point   372 :      -0.3600    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9501      0.02687
      3      -0.3979      0.00000
      4       0.3242      0.00000
      5       0.8274      0.00000
      6       2.2657      0.00000

 k-point   373 :      -0.3200    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9695      0.79276
      3      -0.2300      0.00000
      4       0.1601      0.00000
      5       0.8671      0.00000
      6       2.1762      0.00000

 k-point   374 :      -0.4400    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7136      0.00000
      3      -0.8474      0.00000
      4       0.4027      0.00000
      5       0.8168      0.00000
      6       2.4903      0.00000

 k-point   375 :      -0.4000    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7559      0.00000
      3      -0.6671      0.00000
      4       0.2736      0.00000
      5       0.8194      0.00000
      6       2.3450      0.00000

 k-point   376 :      -0.3600    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7825      0.00000
      3      -0.4814      0.00000
      4       0.0779      0.00000
      5       0.8779      0.00000
      6       2.2324      0.00000

 k-point   377 :      -0.3200    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7915      0.00000
      3      -0.3677      0.00000
      4      -0.0432      0.00000
      5       0.9057      0.00000
      6       2.1892      0.00000

 k-point   378 :      -0.4800    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5408      0.00000
      3      -1.0530      0.00000
      4       0.3831      0.00000
      5       0.8093      0.00000
      6       2.5450      0.00000

 k-point   379 :      -0.4400    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5640      0.00000
      3      -0.9057      0.00000
      4       0.2433      0.00000
      5       0.8126      0.00000
      6       2.4271      0.00000

 k-point   380 :      -0.4000    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5886      0.00000
      3      -0.7271      0.00000
      4       0.0287      0.00000
      5       0.8822      0.00000
      6       2.3181      0.00000

 k-point   381 :      -0.3600    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6027      0.00000
      3      -0.5564      0.00000
      4      -0.1665      0.00000
      5       0.9343      0.00000
      6       2.2503      0.00000

 k-point   382 :      -0.4800   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4550      0.00000
      3      -1.0306      0.00000
      4       0.2332      0.00000
      5       0.8100      0.00000
      6       2.4651      0.00000

 k-point   383 :      -0.4400   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4231      0.00000
      3      -0.9204      0.00000
      4       0.0051      0.00000
      5       0.8833      0.00000
      6       2.3930      0.00000

 k-point   384 :      -0.4000   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4206      0.00000
      3      -0.7571      0.00000
      4      -0.2239      0.00000
      5       0.9507      0.00000
      6       2.3382      0.00000

 k-point   385 :      -0.3600   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4221      0.00000
      3      -0.6402      0.00000
      4      -0.3616      0.00000
      5       0.9773      0.00000
      6       2.3168      0.00000

 k-point   386 :      -0.4400   -0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3223      0.00000
      3      -0.8642      0.00000
      4      -0.2408      0.00000
      5       0.9559      0.00000
      6       2.3905      0.00000

 k-point   387 :      -0.4000   -0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2797      0.00000
      3      -0.7386      0.00000
      4      -0.4560      0.00000
      5       0.9998      0.00000
      6       2.4097      0.00000

 k-point   388 :      -0.4000   -0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2209      0.00000
      3      -0.6392      0.00000
      4      -0.6391      0.00000
      5       1.0175      0.00000
      6       2.5329      0.00000

 k-point   389 :       0.2400    0.2400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2934      0.00000
      3      -0.6116      0.00000
      4      -0.4259      0.00000
      5      -0.4259      0.00000
      6       4.4136      0.00000

 k-point   390 :      -0.2400    0.2400    0.2400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4514      1.00000
      3       0.5705      0.00000
      4       0.6538      0.00000
      5       0.6539      0.00000
      6       2.2328      0.00000

 k-point   391 :      -0.2800    0.2800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3163      1.00000
      3       0.3430      0.00000
      4       0.5456      0.00000
      5       0.6488      0.00000
      6       2.1143      0.00000

 k-point   392 :      -0.3200    0.3200    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1618      1.00000
      3       0.0682      0.00000
      4       0.4522      0.00000
      5       0.6663      0.00000
      6       2.0656      0.00000

 k-point   393 :      -0.2800    0.3200    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1719      1.00000
      3       0.1911      0.00000
      4       0.3968      0.00000
      5       0.6287      0.00000
      6       2.0092      0.00000

 k-point   394 :      -0.3600    0.3600    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9893      0.99985
      3      -0.2119      0.00000
      4       0.3757      0.00000
      5       0.6731      0.00000
      6       2.0810      0.00000

 k-point   395 :      -0.3200    0.3600    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0090      1.00000
      3      -0.0408      0.00000
      4       0.2827      0.00000
      5       0.6480      0.00000
      6       1.9735      0.00000

 k-point   396 :      -0.4000    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8014      0.00000
      3      -0.4863      0.00000
      4       0.3174      0.00000
      5       0.6715      0.00000
      6       2.1464      0.00000

 k-point   397 :      -0.3600    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8294      0.00000
      3      -0.3011      0.00000
      4       0.2059      0.00000
      5       0.6621      0.00000
      6       2.0011      0.00000

 k-point   398 :      -0.3200    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8388      0.00000
      3      -0.1856      0.00000
      4       0.0976      0.00000
      5       0.6816      0.00000
      6       1.9465      0.00000

 k-point   399 :      -0.4400    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6061      0.00000
      3      -0.7420      0.00000
      4       0.2781      0.00000
      5       0.6665      0.00000
      6       2.2387      0.00000

 k-point   400 :      -0.4000    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6378      0.00000
      3      -0.5590      0.00000
      4       0.1534      0.00000
      5       0.6682      0.00000
      6       2.0770      0.00000

 k-point   401 :      -0.3600    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6545      0.00000
      3      -0.3882      0.00000
      4      -0.0189      0.00000
      5       0.7126      0.00000
      6       1.9801      0.00000

 k-point   402 :      -0.4800    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4379      0.00000
      3      -0.9411      0.00000
      4       0.2583      0.00000
      5       0.6628      0.00000
      6       2.3161      0.00000

 k-point   403 :      -0.4400    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4502      0.00000
      3      -0.7889      0.00000
      4       0.1223      0.00000
      5       0.6694      0.00000
      6       2.1718      0.00000

 k-point   404 :      -0.4000    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4649      0.00000
      3      -0.6118      0.00000
      4      -0.0798      0.00000
      5       0.7322      0.00000
      6       2.0600      0.00000

 k-point   405 :      -0.3600    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4707      0.00000
      3      -0.4947      0.00000
      4      -0.2083      0.00000
      5       0.7617      0.00000
      6       2.0167      0.00000

 k-point   406 :      -0.4800   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3457      0.00000
      3      -0.9079      0.00000
      4       0.1120      0.00000
      5       0.6693      0.00000
      6       2.2224      0.00000

 k-point   407 :      -0.4400   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3063      0.00000
      3      -0.7921      0.00000
      4      -0.1068      0.00000
      5       0.7411      0.00000
      6       2.1460      0.00000

 k-point   408 :      -0.4000   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2972      0.00000
      3      -0.6387      0.00000
      4      -0.3087      0.00000
      5       0.7936      0.00000
      6       2.0988      0.00000

 k-point   409 :      -0.4400   -0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2075      0.00000
      3      -0.7256      0.00000
      4      -0.3356      0.00000
      5       0.8044      0.00000
      6       2.1624      0.00000

 k-point   410 :      -0.4000   -0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1756      0.00000
      3      -0.6264      0.00000
      4      -0.4890      0.00000
      5       0.8289      0.00000
      6       2.1911      0.00000

 k-point   411 :      -0.2800    0.2800    0.2800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.1821      1.00000
      3       0.3755      0.00000
      4       0.4361      0.00000
      5       0.4362      0.00000
      6       1.9505      0.00000

 k-point   412 :      -0.3200    0.3200    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0289      1.00000
      3       0.1487      0.00000
      4       0.3418      0.00000
      5       0.4570      0.00000
      6       1.8578      0.00000

 k-point   413 :      -0.3600    0.3600    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8580      0.00000
      3      -0.1137      0.00000
      4       0.2646      0.00000
      5       0.4904      0.00000
      6       1.8380      0.00000

 k-point   414 :      -0.3200    0.3600    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8676      0.00000
      3       0.0134      0.00000
      4       0.2050      0.00000
      5       0.4530      0.00000
      6       1.7775      0.00000

 k-point   415 :      -0.4000    0.4000    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6726      0.00000
      3      -0.3754      0.00000
      4       0.2057      0.00000
      5       0.5097      0.00000
      6       1.8823      0.00000

 k-point   416 :      -0.3600    0.4000    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6904      0.00000
      3      -0.2023      0.00000
      4       0.1078      0.00000
      5       0.4870      0.00000
      6       1.7687      0.00000

 k-point   417 :      -0.4400    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4809      0.00000
      3      -0.6214      0.00000
      4       0.1661      0.00000
      5       0.5181      0.00000
      6       1.9704      0.00000

 k-point   418 :      -0.4000    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5023      0.00000
      3      -0.4403      0.00000
      4       0.0502      0.00000
      5       0.5122      0.00000
      6       1.8225      0.00000

 k-point   419 :      -0.3600    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5099      0.00000
      3      -0.3219      0.00000
      4      -0.0638      0.00000
      5       0.5335      0.00000
      6       1.7664      0.00000

 k-point   420 :      -0.4800    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3184      0.00000
      3      -0.8120      0.00000
      4       0.1462      0.00000
      5       0.5207      0.00000
      6       2.0579      0.00000

 k-point   421 :      -0.4400    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3203      0.00000
      3      -0.6576      0.00000
      4       0.0176      0.00000
      5       0.5255      0.00000
      6       1.9134      0.00000

 k-point   422 :      -0.4000    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3262      0.00000
      3      -0.4935      0.00000
      4      -0.1600      0.00000
      5       0.5717      0.00000
      6       1.8240      0.00000

 k-point   423 :      -0.4800   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2212      0.00000
      3      -0.7689      0.00000
      4       0.0069      0.00000
      5       0.5295      0.00000
      6       1.9707      0.00000

 k-point   424 :      -0.4400   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1766      0.00000
      3      -0.6504      0.00000
      4      -0.1970      0.00000
      5       0.5914      0.00000
      6       1.9094      0.00000

 k-point   425 :      -0.4000   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1662      0.00000
      3      -0.5414      0.00000
      4      -0.3337      0.00000
      5       0.6197      0.00000
      6       1.8855      0.00000

 k-point   426 :      -0.4400   -0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0892      0.00000
      3      -0.5744      0.00000
      4      -0.3990      0.00000
      5       0.6372      0.00000
      6       1.9597      0.00000

 k-point   427 :      -0.3200    0.3200    0.3200
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.8773      0.00000
      3       0.2091      0.00000
      4       0.2467      0.00000
      5       0.2467      0.00000
      6       1.7152      0.00000

 k-point   428 :      -0.3600    0.3600    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7088      0.00000
      3      -0.0131      0.00000
      4       0.1689      0.00000
      5       0.2938      0.00000
      6       1.6476      0.00000

 k-point   429 :      -0.4000    0.4000    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5265      0.00000
      3      -0.2568      0.00000
      4       0.1097      0.00000
      5       0.3406      0.00000
      6       1.6543      0.00000

 k-point   430 :      -0.3600    0.4000    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5347      0.00000
      3      -0.1282      0.00000
      4       0.0473      0.00000
      5       0.3045      0.00000
      6       1.5916      0.00000

 k-point   431 :      -0.4400    0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3395      0.00000
      3      -0.4890      0.00000
      4       0.0699      0.00000
      5       0.3687      0.00000
      6       1.7215      0.00000

 k-point   432 :      -0.4000    0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3513      0.00000
      3      -0.3202      0.00000
      4      -0.0310      0.00000
      5       0.3493      0.00000
      6       1.6081      0.00000

 k-point   433 :      -0.4800    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1839      0.00000
      3      -0.6685      0.00000
      4       0.0498      0.00000
      5       0.3812      0.00000
      6       1.8078      0.00000

 k-point   434 :      -0.4400    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1764      0.00000
      3      -0.5163      0.00000
      4      -0.0682      0.00000
      5       0.3789      0.00000
      6       1.6805      0.00000

 k-point   435 :      -0.4000    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1763      0.00000
      3      -0.4015      0.00000
      4      -0.1867      0.00000
      5       0.4010      0.00000
      6       1.6306      0.00000

 k-point   436 :      -0.4800   -0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0841      0.00000
      3      -0.6174      0.00000
      4      -0.0798      0.00000
      5       0.3887      0.00000
      6       1.7391      0.00000

 k-point   437 :      -0.4400   -0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0394      0.00000
      3      -0.5026      0.00000
      4      -0.2589      0.00000
      5       0.4331      0.00000
      6       1.7045      0.00000

 k-point   438 :      -0.4400   -0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -0.9815      0.00000
      3      -0.4180      0.00000
      4      -0.4179      0.00000
      5       0.4566      0.00000
      6       1.7973      0.00000

 k-point   439 :      -0.3600    0.3600    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5432      0.00000
      3       0.0734      0.00000
      4       0.0907      0.00000
      5       0.0908      0.00000
      6       1.5269      0.00000

 k-point   440 :      -0.4000    0.4000    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3652      0.00000
      3      -0.1378      0.00000
      4       0.0313      0.00000
      5       0.1605      0.00000
      6       1.4838      0.00000

 k-point   441 :      -0.4400    0.4400    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1844      0.00000
      3      -0.3510      0.00000
      4      -0.0087      0.00000
      5       0.2145      0.00000
      6       1.5144      0.00000

 k-point   442 :      -0.4000    0.4400    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1882      0.00000
      3      -0.2268      0.00000
      4      -0.0731      0.00000
      5       0.1820      0.00000
      6       1.4519      0.00000

 k-point   443 :      -0.4800    0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0372      0.00000
      3      -0.5159      0.00000
      4      -0.0289      0.00000
      5       0.2412      0.00000
      6       1.5878      0.00000

 k-point   444 :      -0.4400    0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0227      0.00000
      3      -0.3752      0.00000
      4      -0.1310      0.00000
      5       0.2276      0.00000
      6       1.4912      0.00000

 k-point   445 :      -0.4800   -0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -0.9386      0.00000
      3      -0.4602      0.00000
      4      -0.1458      0.00000
      5       0.2449      0.00000
      6       1.5452      0.00000

 k-point   446 :      -0.4400   -0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -0.9050      0.00000
      3      -0.3742      0.00000
      4      -0.2694      0.00000
      5       0.2668      0.00000
      6       1.5396      0.00000

 k-point   447 :      -0.4000    0.4000    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.1929      0.00000
      3      -0.0308      0.00000
      4      -0.0284      0.00000
      5      -0.0284      0.00000
      6       1.3856      0.00000

 k-point   448 :      -0.4400    0.4400    0.4000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0202      0.00000
      3      -0.2177      0.00000
      4      -0.0686      0.00000
      5       0.0536      0.00000
      6       1.3665      0.00000

 k-point   449 :      -0.4800    0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8833      0.00000
      3      -0.3639      0.00000
      4      -0.0887      0.00000
      5       0.0987      0.00000
      6       1.4129      0.00000

 k-point   450 :      -0.4400    0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8678      0.00000
      3      -0.2638      0.00000
      4      -0.1542      0.00000
      5       0.0755      0.00000
      6       1.3588      0.00000

 k-point   451 :      -0.4800   -0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.7941      0.00000
      3      -0.3109      0.00000
      4      -0.1874      0.00000
      5       0.0985      0.00000
      6       1.4006      0.00000

 k-point   452 :      -0.4400    0.4400    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8582      0.00000
      3      -0.1088      0.00000
      4      -0.1088      0.00000
      5      -0.1042      0.00000
      6       1.2914      0.00000

 k-point   453 :      -0.4800    0.4800    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.7332      0.00000
      3      -0.2310      0.00000
      4      -0.1290      0.00000
      5      -0.0409      0.00000
      6       1.2948      0.00000

 k-point   454 :      -0.4800   -0.4800    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.6723      0.00000
      3      -0.1951      0.00000
      4      -0.1950      0.00000
      5      -0.0409      0.00000
      6       1.3121      0.00000

 k-point   455 :      -0.4800    0.4800    0.4800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.6199      0.00000
      3      -0.1493      0.00000
      4      -0.1492      0.00000
      5      -0.1476      0.00000
      6       1.2444      0.00000

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -3.2145      1.00000
      3       1.7265      0.00000
      4       1.7265      0.00000
      5       1.7265      0.00000
      6       4.0010      0.00000

 k-point     2 :       0.0400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.2038      1.00000
      3       1.6764      0.00000
      4       1.7048      0.00000
      5       1.7215      0.00000
      6       4.0251      0.00000

 k-point     3 :       0.0800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1717      1.00000
      3       1.5344      0.00000
      4       1.6446      0.00000
      5       1.7067      0.00000
      6       3.8967      0.00000

 k-point     4 :       0.1200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1183      1.00000
      3       1.3195      0.00000
      4       1.5567      0.00000
      5       1.6828      0.00000
      6       3.6187      0.00000

 k-point     5 :       0.1600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0437      1.00000
      3       1.0528      0.00000
      4       1.4537      0.00000
      5       1.6510      0.00000
      6       3.3630      0.00000

 k-point     6 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9479      1.00000
      3       0.7532      0.00000
      4       1.3461      0.00000
      5       1.6131      0.00000
      6       3.1443      0.00000

 k-point     7 :       0.2400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8313      1.00000
      3       0.4357      0.00000
      4       1.2415      0.00000
      5       1.5717      0.00000
      6       2.9619      0.00000

 k-point     8 :       0.2800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6940      1.00000
      3       0.1119      0.00000
      4       1.1454      0.00000
      5       1.5295      0.00000
      6       2.8123      0.00000

 k-point     9 :       0.3200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5368      1.00000
      3      -0.2099      0.00000
      4       1.0614      0.00000
      5       1.4894      0.00000
      6       2.6921      0.00000

 k-point    10 :       0.3600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3605      1.00000
      3      -0.5230      0.00000
      4       0.9919      0.00000
      5       1.4540      0.00000
      6       2.5988      0.00000

 k-point    11 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1672      1.00000
      3      -0.8215      0.00000
      4       0.9386      0.00000
      5       1.4255      0.00000
      6       2.5302      0.00000

 k-point    12 :       0.4400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9634      0.47846
      3      -1.0967      0.00000
      4       0.9025      0.00000
      5       1.4056      0.00000
      6       2.4852      0.00000

 k-point    13 :       0.4800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7808      0.00000
      3      -1.3153      0.00000
      4       0.8843      0.00000
      5       1.3954      0.00000
      6       2.4628      0.00000

 k-point    14 :       0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1824      1.00000
      3       1.5803      0.00000
      4       1.6757      0.00000
      5       1.6995      0.00000
      6       4.0166      0.00000

 k-point    15 :       0.0800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1397      1.00000
      3       1.4089      0.00000
      4       1.5985      0.00000
      5       1.6741      0.00000
      6       3.7576      0.00000

 k-point    16 :       0.1200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0756      1.00000
      3       1.1767      0.00000
      4       1.4930      0.00000
      5       1.6431      0.00000
      6       3.4978      0.00000

 k-point    17 :       0.1600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9904      1.00000
      3       0.8999      0.00000
      4       1.3781      0.00000
      5       1.6050      0.00000
      6       3.2696      0.00000

 k-point    18 :       0.2000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8842      1.00000
      3       0.5952      0.00000
      4       1.2645      0.00000
      5       1.5618      0.00000
      6       3.0768      0.00000

 k-point    19 :       0.2400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7573      1.00000
      3       0.2766      0.00000
      4       1.1586      0.00000
      5       1.5163      0.00000
      6       2.9170      0.00000

 k-point    20 :       0.2800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6100      1.00000
      3      -0.0451      0.00000
      4       1.0646      0.00000
      5       1.4716      0.00000
      6       2.7870      0.00000

 k-point    21 :       0.3200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4431      1.00000
      3      -0.3620      0.00000
      4       0.9852      0.00000
      5       1.4307      0.00000
      6       2.6838      0.00000

 k-point    22 :       0.3600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2580      1.00000
      3      -0.6678      0.00000
      4       0.9219      0.00000
      5       1.3961      0.00000
      6       2.6053      0.00000

 k-point    23 :       0.4000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0583      1.00000
      3      -0.9557      0.00000
      4       0.8760      0.00000
      5       1.3699      0.00000
      6       2.5501      0.00000

 k-point    24 :       0.4400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8571      0.00000
      3      -1.2105      0.00000
      4       0.8483      0.00000
      5       1.3536      0.00000
      6       2.5173      0.00000

 k-point    25 :       0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7369      0.00000
      3      -1.3487      0.00000
      4       0.8390      0.00000
      5       1.3481      0.00000
      6       2.5065      0.00000

 k-point    26 :       0.0800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0863      1.00000
      3       1.2295      0.00000
      4       1.5082      0.00000
      5       1.6239      0.00000
      6       3.6053      0.00000

 k-point    27 :       0.1200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0117      1.00000
      3       1.0030      0.00000
      4       1.3769      0.00000
      5       1.5767      0.00000
      6       3.4106      0.00000

 k-point    28 :       0.1600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9160      1.00000
      3       0.7347      0.00000
      4       1.2386      0.00000
      5       1.5273      0.00000
      6       3.2243      0.00000

 k-point    29 :       0.2000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7995      1.00000
      3       0.4373      0.00000
      4       1.1101      0.00000
      5       1.4755      0.00000
      6       3.0634      0.00000

 k-point    30 :       0.2400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6625      1.00000
      3       0.1254      0.00000
      4       0.9972      0.00000
      5       1.4238      0.00000
      6       2.9285      0.00000

 k-point    31 :       0.2800    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5054      1.00000
      3      -0.1892      0.00000
      4       0.9018      0.00000
      5       1.3751      0.00000
      6       2.8182      0.00000

 k-point    32 :       0.3200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3294      1.00000
      3      -0.4979      0.00000
      4       0.8246      0.00000
      5       1.3326      0.00000
      6       2.7313      0.00000

 k-point    33 :       0.3600    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1367      1.00000
      3      -0.7936      0.00000
      4       0.7663      0.00000
      5       1.2985      0.00000
      6       2.6669      0.00000

 k-point    34 :       0.4000    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9337      0.00001
      3      -1.0667      0.00000
      4       0.7273      0.00000
      5       1.2748      0.00000
      6       2.6242      0.00000

 k-point    35 :       0.4400    0.0800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7528      0.00000
      3      -1.2831      0.00000
      4       0.7077      0.00000
      5       1.2627      0.00000
      6       2.6029      0.00000

 k-point    36 :       0.1200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9267      1.00000
      3       0.7993      0.00000
      4       1.2102      0.00000
      5       1.5130      0.00000
      6       3.3495      0.00000

 k-point    37 :       0.1600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8207      1.00000
      3       0.5581      0.00000
      4       1.0364      0.00000
      5       1.4526      0.00000
      6       3.2076      0.00000

 k-point    38 :       0.2000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6940      1.00000
      3       0.2816      0.00000
      4       0.8850      0.00000
      5       1.3937      0.00000
      6       3.0752      0.00000

 k-point    39 :       0.2400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5471      1.00000
      3      -0.0156      0.00000
      4       0.7615      0.00000
      5       1.3379      0.00000
      6       2.9621      0.00000

 k-point    40 :       0.2800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3808      1.00000
      3      -0.3185      0.00000
      4       0.6635      0.00000
      5       1.2878      0.00000
      6       2.8695      0.00000

 k-point    41 :       0.3200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1966      1.00000
      3      -0.6159      0.00000
      4       0.5888      0.00000
      5       1.2462      0.00000
      6       2.7975      0.00000

 k-point    42 :       0.3600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9982      1.00000
      3      -0.8983      0.00000
      4       0.5359      0.00000
      5       1.2149      0.00000
      6       2.7461      0.00000

 k-point    43 :       0.4000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7995      0.00000
      3      -1.1485      0.00000
      4       0.5044      0.00000
      5       1.1956      0.00000
      6       2.7153      0.00000

 k-point    44 :       0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6826      0.00000
      3      -1.2827      0.00000
      4       0.4939      0.00000
      5       1.1891      0.00000
      6       2.7051      0.00000

 k-point    45 :       0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7045      1.00000
      3       0.3588      0.00000
      4       0.8184      0.00000
      5       1.3849      0.00000
      6       3.1722      0.00000

 k-point    46 :       0.2000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5680      1.00000
      3       0.1223      0.00000
      4       0.6307      0.00000
      5       1.3223      0.00000
      6       3.0885      0.00000

 k-point    47 :       0.2400    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4118      1.00000
      3      -0.1477      0.00000
      4       0.4888      0.00000
      5       1.2657      0.00000
      6       3.0044      0.00000

 k-point    48 :       0.2800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2369      1.00000
      3      -0.4323      0.00000
      4       0.3858      0.00000
      5       1.2171      0.00000
      6       2.9330      0.00000

 k-point    49 :       0.3200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0458      1.00000
      3      -0.7144      0.00000
      4       0.3132      0.00000
      5       1.1788      0.00000
      6       2.8780      0.00000

 k-point    50 :       0.3600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8458      0.00000
      3      -0.9784      0.00000
      4       0.2664      0.00000
      5       1.1523      0.00000
      6       2.8407      0.00000

 k-point    51 :       0.4000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6704      0.00000
      3      -1.1867      0.00000
      4       0.2434      0.00000
      5       1.1387      0.00000
      6       2.8220      0.00000

 k-point    52 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4221      1.00000
      3      -0.0582      0.00000
      4       0.3957      0.00000
      5       1.2591      0.00000
      6       3.0786      0.00000

 k-point    53 :       0.2400    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2571      1.00000
      3      -0.2792      0.00000
      4       0.2179      0.00000
      5       1.2043      0.00000
      6       3.0435      0.00000

 k-point    54 :       0.2800    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0749      1.00000
      3      -0.5326      0.00000
      4       0.1007      0.00000
      5       1.1593      0.00000
      6       3.0028      0.00000

 k-point    55 :       0.3200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8799      0.00000
      3      -0.7920      0.00000
      4       0.0275      0.00000
      5       1.1259      0.00000
      6       2.9687      0.00000

 k-point    56 :       0.3600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6874      0.00000
      3      -1.0273      0.00000
      4      -0.0132      0.00000
      5       1.1053      0.00000
      6       2.9468      0.00000

 k-point    57 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5783      0.00000
      3      -1.1513      0.00000
      4      -0.0264      0.00000
      5       1.0984      0.00000
      6       2.9393      0.00000

 k-point    58 :       0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0847      1.00000
      3      -0.4309      0.00000
      4      -0.0123      0.00000
      5       1.1531      0.00000
      6       3.0641      0.00000

 k-point    59 :       0.2800    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8976      0.00000
      3      -0.6262      0.00000
      4      -0.1663      0.00000
      5       1.1132      0.00000
      6       3.0648      0.00000

 k-point    60 :       0.3200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7046      0.00000
      3      -0.8464      0.00000
      4      -0.2495      0.00000
      5       1.0858      0.00000
      6       3.0572      0.00000

 k-point    61 :       0.3600    0.2400    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5420      0.00000
      3      -1.0287      0.00000
      4      -0.2855      0.00000
      5       1.0718      0.00000
      6       3.0511      0.00000

 k-point    62 :       0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7111      0.00000
      3      -0.7332      0.00000
      4      -0.3809      0.00000
      5       1.0793      0.00000
      6       3.1059      0.00000

 k-point    63 :       0.3200    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5351      0.00000
      3      -0.8711      0.00000
      4      -0.5014      0.00000
      5       1.0585      0.00000
      6       3.1257      0.00000

 k-point    64 :       0.3600    0.2800    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4444      0.00000
      3      -0.9556      0.00000
      4      -0.5354      0.00000
      5       1.0515      0.00000
      6       3.1311      0.00000

 k-point    65 :       0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4137      0.00000
      3      -0.8508      0.00000
      4      -0.6975      0.00000
      5       1.0447      0.00000
      6       3.1615      0.00000

 k-point    66 :       0.0400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1503      1.00000
      3       1.4368      0.00000
      4       1.6550      0.00000
      5       1.6550      0.00000
      6       3.8386      0.00000

 k-point    67 :       0.0800    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0970      1.00000
      3       1.2462      0.00000
      4       1.5529      0.00000
      5       1.6217      0.00000
      6       3.6220      0.00000

 k-point    68 :       0.1200    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0224      1.00000
      3       1.0102      0.00000
      4       1.4214      0.00000
      5       1.5780      0.00000
      6       3.4121      0.00000

 k-point    69 :       0.1600    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9267      1.00000
      3       0.7349      0.00000
      4       1.2859      0.00000
      5       1.5269      0.00000
      6       3.2264      0.00000

 k-point    70 :       0.2000    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8101      1.00000
      3       0.4332      0.00000
      4       1.1599      0.00000
      5       1.4720      0.00000
      6       3.0678      0.00000

 k-point    71 :       0.2400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6730      1.00000
      3       0.1189      0.00000
      4       1.0486      0.00000
      5       1.4170      0.00000
      6       2.9353      0.00000

 k-point    72 :       0.2800    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5159      1.00000
      3      -0.1972      0.00000
      4       0.9541      0.00000
      5       1.3656      0.00000
      6       2.8273      0.00000

 k-point    73 :       0.3200    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3398      1.00000
      3      -0.5068      0.00000
      4       0.8776      0.00000
      5       1.3209      0.00000
      6       2.7424      0.00000

 k-point    74 :       0.3600    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1469      1.00000
      3      -0.8032      0.00000
      4       0.8198      0.00000
      5       1.2853      0.00000
      6       2.6794      0.00000

 k-point    75 :       0.4000    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9438      0.00233
      3      -1.0767      0.00000
      4       0.7810      0.00000
      5       1.2606      0.00000
      6       2.6378      0.00000

 k-point    76 :       0.4400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7624      0.00000
      3      -1.2936      0.00000
      4       0.7615      0.00000
      5       1.2480      0.00000
      6       2.6171      0.00000

 k-point    77 :      -0.0400    0.0400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1931      1.00000
      3       1.6616      0.00000
      4       1.6827      0.00000
      5       1.6827      0.00000
      6       4.0520      0.00000

 k-point    78 :       0.0800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0330      1.00000
      3       1.0538      0.00000
      4       1.4523      0.00000
      5       1.5420      0.00000
      6       3.5103      0.00000

 k-point    79 :       0.1200    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9479      1.00000
      3       0.8284      0.00000
      4       1.2957      0.00000
      5       1.4740      0.00000
      6       3.3677      0.00000

 k-point    80 :       0.1600    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8418      1.00000
      3       0.5671      0.00000
      4       1.1348      0.00000
      5       1.4065      0.00000
      6       3.2313      0.00000

 k-point    81 :       0.2000    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7151      1.00000
      3       0.2773      0.00000
      4       0.9929      0.00000
      5       1.3395      0.00000
      6       3.1098      0.00000

 k-point    82 :       0.2400    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5681      1.00000
      3      -0.0272      0.00000
      4       0.8747      0.00000
      5       1.2762      0.00000
      6       3.0055      0.00000

 k-point    83 :       0.2800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4016      1.00000
      3      -0.3340      0.00000
      4       0.7794      0.00000
      5       1.2201      0.00000
      6       2.9196      0.00000

 k-point    84 :       0.3200    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2171      1.00000
      3      -0.6337      0.00000
      4       0.7061      0.00000
      5       1.1738      0.00000
      6       2.8525      0.00000

 k-point    85 :       0.3600    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0183      1.00000
      3      -0.9175      0.00000
      4       0.6540      0.00000
      5       1.1393      0.00000
      6       2.8045      0.00000

 k-point    86 :       0.4000    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8190      0.00000
      3      -1.1689      0.00000
      4       0.6229      0.00000
      5       1.1181      0.00000
      6       2.7757      0.00000

 k-point    87 :       0.4400    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7013      0.00000
      3      -1.3041      0.00000
      4       0.6125      0.00000
      5       1.1110      0.00000
      6       2.7661      0.00000

 k-point    88 :      -0.0800    0.0800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1610      1.00000
      3       1.5296      0.00000
      4       1.6213      0.00000
      5       1.6620      0.00000
      6       3.9164      0.00000

 k-point    89 :       0.1200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8524      1.00000
      3       0.6264      0.00000
      4       1.1137      0.00000
      5       1.3786      0.00000
      6       3.3217      0.00000

 k-point    90 :       0.1600    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7362      1.00000
      3       0.3934      0.00000
      4       0.9242      0.00000
      5       1.2945      0.00000
      6       3.2396      0.00000

 k-point    91 :       0.2000    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5995      1.00000
      3       0.1270      0.00000
      4       0.7630      0.00000
      5       1.2180      0.00000
      6       3.1561      0.00000

 k-point    92 :       0.2400    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4430      1.00000
      3      -0.1607      0.00000
      4       0.6368      0.00000
      5       1.1502      0.00000
      6       3.0799      0.00000

 k-point    93 :       0.2800    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2678      1.00000
      3      -0.4542      0.00000
      4       0.5412      0.00000
      5       1.0931      0.00000
      6       3.0154      0.00000

 k-point    94 :       0.3200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0762      1.00000
      3      -0.7408      0.00000
      4       0.4720      0.00000
      5       1.0486      0.00000
      6       2.9653      0.00000

 k-point    95 :       0.3600    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8754      0.00000
      3      -1.0076      0.00000
      4       0.4269      0.00000
      5       1.0182      0.00000
      6       2.9312      0.00000

 k-point    96 :       0.4000    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6985      0.00000
      3      -1.2181      0.00000
      4       0.4046      0.00000
      5       1.0028      0.00000
      6       2.9140      0.00000

 k-point    97 :      -0.1200    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1076      1.00000
      3       1.3183      0.00000
      4       1.5319      0.00000
      5       1.6395      0.00000
      6       3.6253      0.00000

 k-point    98 :      -0.0800    0.1200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1183      1.00000
      3       1.3872      0.00000
      4       1.5443      0.00000
      5       1.6149      0.00000
      6       3.7285      0.00000

 k-point    99 :       0.1600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6100      1.00000
      3       0.2015      0.00000
      4       0.6991      0.00000
      5       1.1999      0.00000
      6       3.2234      0.00000

 k-point   100 :       0.2000    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4637      1.00000
      3      -0.0245      0.00000
      4       0.5071      0.00000
      5       1.1189      0.00000
      6       3.1885      0.00000

 k-point   101 :       0.2400    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2983      1.00000
      3      -0.2837      0.00000
      4       0.3656      0.00000
      5       1.0506      0.00000
      6       3.1465      0.00000

 k-point   102 :       0.2800    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1155      1.00000
      3      -0.5573      0.00000
      4       0.2672      0.00000
      5       0.9959      0.00000
      6       3.1067      0.00000

 k-point   103 :       0.3200    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9194      0.00000
      3      -0.8262      0.00000
      4       0.2020      0.00000
      5       0.9560      0.00000
      6       3.0750      0.00000

 k-point   104 :       0.3600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7251      0.00000
      3      -1.0667      0.00000
      4       0.1644      0.00000
      5       0.9317      0.00000
      6       3.0548      0.00000

 k-point   105 :       0.4000    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6138      0.00000
      3      -1.1939      0.00000
      4       0.1521      0.00000
      5       0.9235      0.00000
      6       3.0479      0.00000

 k-point   106 :      -0.1600    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0330      1.00000
      3       1.0547      0.00000
      4       1.4274      0.00000
      5       1.6095      0.00000
      6       3.3691      0.00000

 k-point   107 :      -0.1200    0.1600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0543      1.00000
      3       1.1703      0.00000
      4       1.4351      0.00000
      5       1.5811      0.00000
      6       3.4862      0.00000

 k-point   108 :       0.2000    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3086      1.00000
      3      -0.1949      0.00000
      4       0.2728      0.00000
      5       1.0376      0.00000
      6       3.2035      0.00000

 k-point   109 :       0.2400    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1353      1.00000
      3      -0.4040      0.00000
      4       0.0981      0.00000
      5       0.9721      0.00000
      6       3.2019      0.00000

 k-point   110 :       0.2800    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9469      0.00848
      3      -0.6447      0.00000
      4      -0.0126      0.00000
      5       0.9223      0.00000
      6       3.1911      0.00000

 k-point   111 :       0.3200    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7515      0.00000
      3      -0.8867      0.00000
      4      -0.0766      0.00000
      5       0.8887      0.00000
      6       3.1793      0.00000

 k-point   112 :       0.3600    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5848      0.00000
      3      -1.0796      0.00000
      4      -0.1063      0.00000
      5       0.8718      0.00000
      6       3.1721      0.00000

 k-point   113 :      -0.2000    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9373      1.00000
      3       0.7576      0.00000
      4       1.3184      0.00000
      5       1.5731      0.00000
      6       3.1544      0.00000

 k-point   114 :      -0.1600    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9692      1.00000
      3       0.9030      0.00000
      4       1.3160      0.00000
      5       1.5459      0.00000
      6       3.2681      0.00000

 k-point   115 :      -0.1200    0.2000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9798      1.00000
      3       0.9739      0.00000
      4       1.2912      0.00000
      5       1.5342      0.00000
      6       3.3454      0.00000

 k-point   116 :       0.2400    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9562      0.14149
      3      -0.5423      0.00000
      4      -0.1270      0.00000
      5       0.9115      0.00000
      6       3.2397      0.00000

 k-point   117 :       0.2800    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7664      0.00000
      3      -0.7212      0.00000
      4      -0.2734      0.00000
      5       0.8682      0.00000
      6       3.2596      0.00000

 k-point   118 :       0.3200    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5841      0.00000
      3      -0.9145      0.00000
      4      -0.3453      0.00000
      5       0.8422      0.00000
      6       3.2676      0.00000

 k-point   119 :       0.3600    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4865      0.00000
      3      -1.0187      0.00000
      4      -0.3664      0.00000
      5       0.8334      0.00000
      6       3.2695      0.00000

 k-point   120 :      -0.2400    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8207      1.00000
      3       0.4420      0.00000
      4       1.2126      0.00000
      5       1.5324      0.00000
      6       2.9779      0.00000

 k-point   121 :      -0.2000    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8630      1.00000
      3       0.6044      0.00000
      4       1.1990      0.00000
      5       1.5065      0.00000
      6       3.0857      0.00000

 k-point   122 :      -0.1600    0.2400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8842      1.00000
      3       0.7298      0.00000
      4       1.1374      0.00000
      5       1.4929      0.00000
      6       3.1986      0.00000

 k-point   123 :       0.2800    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5861      0.00000
      3      -0.8014      0.00000
      4      -0.4812      0.00000
      5       0.8325      0.00000
      6       3.3049      0.00000

 k-point   124 :       0.3200    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4461      0.00000
      3      -0.8894      0.00000
      4      -0.5879      0.00000
      5       0.8146      0.00000
      6       3.3263      0.00000

 k-point   125 :      -0.2800    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6835      1.00000
      3       0.1195      0.00000
      4       1.1155      0.00000
      5       1.4903      0.00000
      6       2.8347      0.00000

 k-point   126 :      -0.2400    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7362      1.00000
      3       0.2898      0.00000
      4       1.0907      0.00000
      5       1.4642      0.00000
      6       2.9360      0.00000

 k-point   127 :      -0.2000    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7678      1.00000
      3       0.4474      0.00000
      4       0.9985      0.00000
      5       1.4510      0.00000
      6       3.0564      0.00000

 k-point   128 :      -0.1600    0.2800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7784      1.00000
      3       0.5272      0.00000
      4       0.9348      0.00000
      5       1.4495      0.00000
      6       3.1472      0.00000

 k-point   129 :       0.3200    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3898      0.00000
      3      -0.7803      0.00000
      4      -0.7802      0.00000
      5       0.8055      0.00000
      6       3.3468      0.00000

 k-point   130 :      -0.3200    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5263      1.00000
      3      -0.2014      0.00000
      4       1.0307      0.00000
      5       1.4498      0.00000
      6       2.7206      0.00000

 k-point   131 :      -0.2800    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5890      1.00000
      3      -0.0293      0.00000
      4       0.9948      0.00000
      5       1.4217      0.00000
      6       2.8149      0.00000

 k-point   132 :      -0.2400    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6309      1.00000
      3       0.1440      0.00000
      4       0.8796      0.00000
      5       1.4084      0.00000
      6       2.9305      0.00000

 k-point   133 :      -0.2000    0.3200    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6519      1.00000
      3       0.2830      0.00000
      4       0.7563      0.00000
      5       1.4083      0.00000
      6       3.0602      0.00000

 k-point   134 :      -0.3600    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3501      1.00000
      3      -0.5138      0.00000
      4       0.9607      0.00000
      5       1.4138      0.00000
      6       2.6324      0.00000

 k-point   135 :      -0.3200    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4223      1.00000
      3      -0.3444      0.00000
      4       0.9140      0.00000
      5       1.3822      0.00000
      6       2.7190      0.00000

 k-point   136 :      -0.2800    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4741      1.00000
      3      -0.1657      0.00000
      4       0.7807      0.00000
      5       1.3672      0.00000
      6       2.8250      0.00000

 k-point   137 :      -0.2400    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5053      1.00000
      3       0.0046      0.00000
      4       0.6170      0.00000
      5       1.3681      0.00000
      6       2.9515      0.00000

 k-point   138 :      -0.2000    0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5157      1.00000
      3       0.0946      0.00000
      4       0.5262      0.00000
      5       1.3700      0.00000
      6       3.0897      0.00000

 k-point   139 :      -0.4000    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1570      1.00000
      3      -0.8118      0.00000
      4       0.9070      0.00000
      5       1.3845      0.00000
      6       2.5678      0.00000

 k-point   140 :      -0.3600    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2374      1.00000
      3      -0.6490      0.00000
      4       0.8497      0.00000
      5       1.3483      0.00000
      6       2.6459      0.00000

 k-point   141 :      -0.3200    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2984      1.00000
      3      -0.4714      0.00000
      4       0.7015      0.00000
      5       1.3303      0.00000
      6       2.7407      0.00000

 k-point   142 :      -0.2800    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3393      1.00000
      3      -0.2887      0.00000
      4       0.5113      0.00000
      5       1.3307      0.00000
      6       2.8570      0.00000

 k-point   143 :      -0.2400    0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3598      1.00000
      3      -0.1361      0.00000
      4       0.3483      0.00000
      5       1.3339      0.00000
      6       2.9903      0.00000

 k-point   144 :      -0.4400    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9534      0.07052
      3      -1.0866      0.00000
      4       0.8706      0.00000
      5       1.3640      0.00000
      6       2.5255      0.00000

 k-point   145 :      -0.4000    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0380      1.00000
      3      -0.9359      0.00000
      4       0.8032      0.00000
      5       1.3224      0.00000
      6       2.5945      0.00000

 k-point   146 :      -0.3600    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1060      1.00000
      3      -0.7651      0.00000
      4       0.6419      0.00000
      5       1.3003      0.00000
      6       2.6777      0.00000

 k-point   147 :      -0.3200    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1556      1.00000
      3      -0.5809      0.00000
      4       0.4326      0.00000
      5       1.2984      0.00000
      6       2.7827      0.00000

 k-point   148 :      -0.2800    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1855      1.00000
      3      -0.3999      0.00000
      4       0.2267      0.00000
      5       1.3013      0.00000
      6       2.9091      0.00000

 k-point   149 :      -0.2400    0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1956      1.00000
      3      -0.2992      0.00000
      4       0.1163      0.00000
      5       1.3028      0.00000
      6       3.0024      0.00000

 k-point   150 :      -0.4800    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7712      0.00000
      3      -1.3047      0.00000
      4       0.8523      0.00000
      5       1.3535      0.00000
      6       2.5045      0.00000

 k-point   151 :      -0.4400    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8374      0.00000
      3      -1.1898      0.00000
      4       0.7751      0.00000
      5       1.3063      0.00000
      6       2.5639      0.00000

 k-point   152 :      -0.4000    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9038      0.00000
      3      -1.0366      0.00000
      4       0.6021      0.00000
      5       1.2791      0.00000
      6       2.6357      0.00000

 k-point   153 :      -0.3600    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9579      0.20386
      3      -0.8600      0.00000
      4       0.3778      0.00000
      5       1.2735      0.00000
      6       2.7295      0.00000

 k-point   154 :      -0.3200    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9954      1.00000
      3      -0.6720      0.00000
      4       0.1459      0.00000
      5       1.2744      0.00000
      6       2.8474      0.00000

 k-point   155 :      -0.2800    0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0144      1.00000
      3      -0.5073      0.00000
      4      -0.0435      0.00000
      5       1.2756      0.00000
      6       2.9653      0.00000

 k-point   156 :      -0.4800   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7179      0.00000
      3      -1.3271      0.00000
      4       0.7656      0.00000
      5       1.3008      0.00000
      6       2.5537      0.00000

 k-point   157 :      -0.4400   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7240      0.00000
      3      -1.2514      0.00000
      4       0.5821      0.00000
      5       1.2682      0.00000
      6       2.6148      0.00000

 k-point   158 :      -0.4000   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7606      0.00000
      3      -1.1077      0.00000
      4       0.3452      0.00000
      5       1.2579      0.00000
      6       2.6975      0.00000

 k-point   159 :      -0.3600   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7968      0.00000
      3      -0.9304      0.00000
      4       0.0955      0.00000
      5       1.2552      0.00000
      6       2.8062      0.00000

 k-point   160 :      -0.3200   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8211      0.00000
      3      -0.7447      0.00000
      4      -0.1360      0.00000
      5       1.2543      0.00000
      6       2.9264      0.00000

 k-point   161 :      -0.2800   -0.4800    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8295      0.00000
      3      -0.6330      0.00000
      4      -0.2633      0.00000
      5       1.2540      0.00000
      6       2.9957      0.00000

 k-point   162 :      -0.4400   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6453      0.00000
      3      -1.2399      0.00000
      4       0.3345      0.00000
      5       1.2526      0.00000
      6       2.6868      0.00000

 k-point   163 :      -0.4000   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6240      0.00000
      3      -1.1345      0.00000
      4       0.0711      0.00000
      5       1.2453      0.00000
      6       2.7855      0.00000

 k-point   164 :      -0.3600   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6317      0.00000
      3      -0.9692      0.00000
      4      -0.1839      0.00000
      5       1.2408      0.00000
      6       2.9008      0.00000

 k-point   165 :      -0.3200   -0.4400    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6404      0.00000
      3      -0.8006      0.00000
      4      -0.3942      0.00000
      5       1.2383      0.00000
      6       2.9980      0.00000

 k-point   166 :      -0.4000   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5261      0.00000
      3      -1.0877      0.00000
      4      -0.1989      0.00000
      5       1.2361      0.00000
      6       2.8921      0.00000

 k-point   167 :      -0.3600   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4847      0.00000
      3      -0.9589      0.00000
      4      -0.4468      0.00000
      5       1.2300      0.00000
      6       2.9936      0.00000

 k-point   168 :      -0.3200   -0.4000    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4760      0.00000
      3      -0.8451      0.00000
      4      -0.5957      0.00000
      5       1.2279      0.00000
      6       3.0405      0.00000

 k-point   169 :      -0.3600   -0.3600    0.0400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3971      0.00000
      3      -0.8720      0.00000
      4      -0.6750      0.00000
      5       1.2243      0.00000
      6       3.0529      0.00000

 k-point   170 :       0.0800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9586      1.00000
      3       0.8622      0.00000
      4       1.3822      0.00000
      5       1.3822      0.00000
      6       3.4397      0.00000

 k-point   171 :       0.1200    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8630      1.00000
      3       0.6479      0.00000
      4       1.1867      0.00000
      5       1.3040      0.00000
      6       3.3700      0.00000

 k-point   172 :       0.1600    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7467      1.00000
      3       0.4022      0.00000
      4       0.9988      0.00000
      5       1.2240      0.00000
      6       3.2926      0.00000

 k-point   173 :       0.2000    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6100      1.00000
      3       0.1268      0.00000
      4       0.8414      0.00000
      5       1.1473      0.00000
      6       3.2151      0.00000

 k-point   174 :       0.2400    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4534      1.00000
      3      -0.1658      0.00000
      4       0.7173      0.00000
      5       1.0780      0.00000
      6       3.1428      0.00000

 k-point   175 :       0.2800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2781      1.00000
      3      -0.4618      0.00000
      4       0.6227      0.00000
      5       1.0194      0.00000
      6       3.0810      0.00000

 k-point   176 :       0.3200    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0864      1.00000
      3      -0.7497      0.00000
      4       0.5539      0.00000
      5       0.9738      0.00000
      6       3.0328      0.00000

 k-point   177 :       0.3600    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8852      0.00000
      3      -1.0173      0.00000
      4       0.5088      0.00000
      5       0.9425      0.00000
      6       2.9999      0.00000

 k-point   178 :       0.4000    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7079      0.00000
      3      -1.2286      0.00000
      4       0.4865      0.00000
      5       0.9267      0.00000
      6       2.9833      0.00000

 k-point   179 :      -0.0800    0.0800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.1290      1.00000
      3       1.4927      0.00000
      4       1.5567      0.00000
      5       1.5567      0.00000
      6       3.8272      0.00000

 k-point   180 :       0.1200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7573      1.00000
      3       0.4545      0.00000
      4       1.0113      0.00000
      5       1.1607      0.00000
      6       3.3649      0.00000

 k-point   181 :       0.1600    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6310      1.00000
      3       0.2356      0.00000
      4       0.8073      0.00000
      5       1.0602      0.00000
      6       3.3426      0.00000

 k-point   182 :       0.2000    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4846      1.00000
      3      -0.0157      0.00000
      4       0.6352      0.00000
      5       0.9756      0.00000
      6       3.3087      0.00000

 k-point   183 :       0.2400    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3190      1.00000
      3      -0.2901      0.00000
      4       0.5057      0.00000
      5       0.9041      0.00000
      6       3.2685      0.00000

 k-point   184 :       0.2800    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1358      1.00000
      3      -0.5713      0.00000
      4       0.4125      0.00000
      5       0.8468      0.00000
      6       3.2302      0.00000

 k-point   185 :       0.3200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9393      0.00027
      3      -0.8438      0.00000
      4       0.3495      0.00000
      5       0.8050      0.00000
      6       3.1995      0.00000

 k-point   186 :       0.3600    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7441      0.00000
      3      -1.0867      0.00000
      4       0.3128      0.00000
      5       0.7795      0.00000
      6       3.1800      0.00000

 k-point   187 :       0.4000    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6317      0.00000
      3      -1.2152      0.00000
      4       0.3007      0.00000
      5       0.7710      0.00000
      6       3.1733      0.00000

 k-point   188 :      -0.1200    0.1200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0756      1.00000
      3       1.3120      0.00000
      4       1.4635      0.00000
      5       1.5184      0.00000
      6       3.5613      0.00000

 k-point   189 :       0.1600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4950      1.00000
      3       0.0547      0.00000
      4       0.5850      0.00000
      5       0.9421      0.00000
      6       3.3611      0.00000

 k-point   190 :       0.2000    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3395      1.00000
      3      -0.1574      0.00000
      4       0.3912      0.00000
      5       0.8514      0.00000
      6       3.3653      0.00000

 k-point   191 :       0.2400    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1658      1.00000
      3      -0.4023      0.00000
      4       0.2505      0.00000
      5       0.7799      0.00000
      6       3.3576      0.00000

 k-point   192 :       0.2800    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9766      0.96581
      3      -0.6620      0.00000
      4       0.1571      0.00000
      5       0.7261      0.00000
      6       3.3439      0.00000

 k-point   193 :       0.3200    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7800      0.00000
      3      -0.9127      0.00000
      4       0.0999      0.00000
      5       0.6900      0.00000
      6       3.3311      0.00000

 k-point   194 :       0.3600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6110      0.00000
      3      -1.1105      0.00000
      4       0.0726      0.00000
      5       0.6719      0.00000
      6       3.3236      0.00000

 k-point   195 :      -0.1600    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0011      1.00000
      3       1.0593      0.00000
      4       1.3551      0.00000
      5       1.4929      0.00000
      6       3.3238      0.00000

 k-point   196 :      -0.1200    0.1600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0117      1.00000
      3       1.1449      0.00000
      4       1.3459      0.00000
      5       1.4605      0.00000
      6       3.3530      0.00000

 k-point   197 :       0.2000    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1758      1.00000
      3      -0.3153      0.00000
      4       0.1624      0.00000
      5       0.7600      0.00000
      6       3.4035      0.00000

 k-point   198 :       0.2400    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9957      1.00000
      3      -0.5097      0.00000
      4      -0.0075      0.00000
      5       0.6919      0.00000
      6       3.4255      0.00000

 k-point   199 :       0.2800    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8041      0.00000
      3      -0.7337      0.00000
      4      -0.1109      0.00000
      5       0.6439      0.00000
      6       3.4350      0.00000

 k-point   200 :       0.3200    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6183      0.00000
      3      -0.9486      0.00000
      4      -0.1647      0.00000
      5       0.6153      0.00000
      6       3.4377      0.00000

 k-point   201 :       0.3600    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5169      0.00000
      3      -1.0611      0.00000
      4      -0.1815      0.00000
      5       0.6057      0.00000
      6       3.4381      0.00000

 k-point   202 :      -0.2000    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9054      1.00000
      3       0.7701      0.00000
      4       1.2426      0.00000
      5       1.4618      0.00000
      6       3.1314      0.00000

 k-point   203 :      -0.1600    0.2000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.9266      1.00000
      3       0.9042      0.00000
      4       1.2155      0.00000
      5       1.4276      0.00000
      6       3.1685      0.00000

 k-point   204 :       0.2400    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8124      0.00000
      3      -0.6313      0.00000
      4      -0.2252      0.00000
      5       0.6297      0.00000
      6       3.4738      0.00000

 k-point   205 :       0.2800    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6266      0.00000
      3      -0.7871      0.00000
      4      -0.3626      0.00000
      5       0.5892      0.00000
      6       3.5031      0.00000

 k-point   206 :       0.3200    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4769      0.00000
      3      -0.9336      0.00000
      4      -0.4206      0.00000
      5       0.5692      0.00000
      6       3.5163      0.00000

 k-point   207 :      -0.2400    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7889      1.00000
      3       0.4603      0.00000
      4       1.1340      0.00000
      5       1.4251      0.00000
      6       2.9797      0.00000

 k-point   208 :      -0.2000    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8206      1.00000
      3       0.6204      0.00000
      4       1.0917      0.00000
      5       1.3955      0.00000
      6       3.0216      0.00000

 k-point   209 :      -0.1600    0.2400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8312      1.00000
      3       0.7049      0.00000
      4       1.0367      0.00000
      5       1.3931      0.00000
      6       3.0414      0.00000

 k-point   210 :       0.2800    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4681      0.00000
      3      -0.8246      0.00000
      4      -0.5628      0.00000
      5       0.5575      0.00000
      6       3.5445      0.00000

 k-point   211 :       0.3200    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3943      0.00000
      3      -0.8429      0.00000
      4      -0.6452      0.00000
      5       0.5470      0.00000
      6       3.5582      0.00000

 k-point   212 :      -0.2800    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6519      1.00000
      3       0.1419      0.00000
      4       1.0346      0.00000
      5       1.3852      0.00000
      6       2.8614      0.00000

 k-point   213 :      -0.2400    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6940      1.00000
      3       0.3148      0.00000
      4       0.9791      0.00000
      5       1.3602      0.00000
      6       2.9088      0.00000

 k-point   214 :      -0.2000    0.2800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7150      1.00000
      3       0.4560      0.00000
      4       0.8743      0.00000
      5       1.3647      0.00000
      6       2.9453      0.00000

 k-point   215 :      -0.3200    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4949      1.00000
      3      -0.1761      0.00000
      4       0.9480      0.00000
      5       1.3454      0.00000
      6       2.7701      0.00000

 k-point   216 :      -0.2800    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5470      1.00000
      3       0.0015      0.00000
      4       0.8803      0.00000
      5       1.3229      0.00000
      6       2.8224      0.00000

 k-point   217 :      -0.2400    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5784      1.00000
      3       0.1713      0.00000
      4       0.7425      0.00000
      5       1.3354      0.00000
      6       2.8723      0.00000

 k-point   218 :      -0.2000    0.3200    0.0800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.5889      1.00000
      3       0.2625      0.00000
      4       0.6564      0.00000
      5       1.3443      0.00000
      6       2.8990      0.00000

 k-point   219 :      -0.3600    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3190      1.00000
      3      -0.4864      0.00000
      4       0.8765      0.00000
      5       1.3090      0.00000
      6       2.7007      0.00000

 k-point   220 :      -0.3200    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3806      1.00000
      3      -0.3098      0.00000
      4       0.7974      0.00000
      5       1.2867      0.00000
      6       2.7558      0.00000

 k-point   221 :      -0.2800    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4219      1.00000
      3      -0.1283      0.00000
      4       0.6370      0.00000
      5       1.3052      0.00000
      6       2.8126      0.00000

 k-point   222 :      -0.2400    0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4426      1.00000
      3       0.0237      0.00000
      4       0.4838      0.00000
      5       1.3246      0.00000
      6       2.8687      0.00000

 k-point   223 :      -0.4000    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1262      1.00000
      3      -0.7829      0.00000
      4       0.8218      0.00000
      5       1.2791      0.00000
      6       2.6504      0.00000

 k-point   224 :      -0.3600    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1962      1.00000
      3      -0.6117      0.00000
      4       0.7318      0.00000
      5       1.2547      0.00000
      6       2.7050      0.00000

 k-point   225 :      -0.3200    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2467      1.00000
      3      -0.4282      0.00000
      4       0.5543      0.00000
      5       1.2763      0.00000
      6       2.7616      0.00000

 k-point   226 :      -0.2800    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2772      1.00000
      3      -0.2486      0.00000
      4       0.3610      0.00000
      5       1.3042      0.00000
      6       2.8355      0.00000

 k-point   227 :      -0.2400    0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2874      1.00000
      3      -0.1486      0.00000
      4       0.2542      0.00000
      5       1.3155      0.00000
      6       2.8882      0.00000

 k-point   228 :      -0.4400    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9232      0.00000
      3      -1.0564      0.00000
      4       0.7848      0.00000
      5       1.2579      0.00000
      6       2.6175      0.00000

 k-point   229 :      -0.4000    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9974      1.00000
      3      -0.8967      0.00000
      4       0.6843      0.00000
      5       1.2298      0.00000
      6       2.6687      0.00000

 k-point   230 :      -0.3600    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0551      1.00000
      3      -0.7182      0.00000
      4       0.4927      0.00000
      5       1.2518      0.00000
      6       2.7199      0.00000

 k-point   231 :      -0.3200    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0943      1.00000
      3      -0.5304      0.00000
      4       0.2747      0.00000
      5       1.2847      0.00000
      6       2.7957      0.00000

 k-point   232 :      -0.2800    0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1140      1.00000
      3      -0.3673      0.00000
      4       0.0918      0.00000
      5       1.3053      0.00000
      6       2.8936      0.00000

 k-point   233 :      -0.4800    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7422      0.00000
      3      -1.2730      0.00000
      4       0.7662      0.00000
      5       1.2469      0.00000
      6       2.6012      0.00000

 k-point   234 :      -0.4400    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7980      0.00000
      3      -1.1487      0.00000
      4       0.6556      0.00000
      5       1.2141      0.00000
      6       2.6468      0.00000

 k-point   235 :      -0.4000    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8540      0.00000
      3      -0.9869      0.00000
      4       0.4518      0.00000
      5       1.2339      0.00000
      6       2.6904      0.00000

 k-point   236 :      -0.3600    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8978      0.00000
      3      -0.8037      0.00000
      4       0.2162      0.00000
      5       1.2685      0.00000
      6       2.7597      0.00000

 k-point   237 :      -0.3200    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9252      0.00000
      3      -0.6174      0.00000
      4      -0.0077      0.00000
      5       1.2950      0.00000
      6       2.8635      0.00000

 k-point   238 :      -0.2800    0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9344      0.00002
      3      -0.5076      0.00000
      4      -0.1308      0.00000
      5       1.3045      0.00000
      6       2.9770      0.00000

 k-point   239 :      -0.4800   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6800      0.00000
      3      -1.2844      0.00000
      4       0.6460      0.00000
      5       1.2087      0.00000
      6       2.6394      0.00000

 k-point   240 :      -0.4400   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6763      0.00000
      3      -1.1989      0.00000
      4       0.4314      0.00000
      5       1.2245      0.00000
      6       2.6751      0.00000

 k-point   241 :      -0.4000   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7026      0.00000
      3      -1.0471      0.00000
      4       0.1821      0.00000
      5       1.2578      0.00000
      6       2.7357      0.00000

 k-point   242 :      -0.3600   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7288      0.00000
      3      -0.8651      0.00000
      4      -0.0655      0.00000
      5       1.2865      0.00000
      6       2.8316      0.00000

 k-point   243 :      -0.3200   -0.4800    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7437      0.00000
      3      -0.6942      0.00000
      4      -0.2696      0.00000
      5       1.3022      0.00000
      6       2.9607      0.00000

 k-point   244 :      -0.4400   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5898      0.00000
      3      -1.1762      0.00000
      4       0.1708      0.00000
      5       1.2541      0.00000
      6       2.7274      0.00000

 k-point   245 :      -0.4000   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5599      0.00000
      3      -1.0622      0.00000
      4      -0.0925      0.00000
      5       1.2817      0.00000
      6       2.8139      0.00000

 k-point   246 :      -0.3600   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5591      0.00000
      3      -0.8951      0.00000
      4      -0.3354      0.00000
      5       1.2998      0.00000
      6       2.9315      0.00000

 k-point   247 :      -0.3200   -0.4400    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5612      0.00000
      3      -0.7779      0.00000
      4      -0.4760      0.00000
      5       1.3059      0.00000
      6       3.0321      0.00000

 k-point   248 :      -0.4000   -0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4588      0.00000
      3      -1.0038      0.00000
      4      -0.3546      0.00000
      5       1.2988      0.00000
      6       2.9215      0.00000

 k-point   249 :      -0.3600   -0.4000    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4171      0.00000
      3      -0.8743      0.00000
      4      -0.5782      0.00000
      5       1.3073      0.00000
      6       3.0315      0.00000

 k-point   250 :      -0.3600   -0.3600    0.0800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3582      0.00000
      3      -0.7692      0.00000
      4      -0.7691      0.00000
      5       1.3097      0.00000
      6       3.0718      0.00000

 k-point   251 :       0.1200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6415      1.00000
      3       0.2768      0.00000
      4       0.9108      0.00000
      5       0.9108      0.00000
      6       3.4307      0.00000

 k-point   252 :       0.1600    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5054      1.00000
      3       0.0798      0.00000
      4       0.6753      0.00000
      5       0.8176      0.00000
      6       3.4747      0.00000

 k-point   253 :       0.2000    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3498      1.00000
      3      -0.1485      0.00000
      4       0.4858      0.00000
      5       0.7357      0.00000
      6       3.5068      0.00000

 k-point   254 :       0.2400    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1760      1.00000
      3      -0.4038      0.00000
      4       0.3498      0.00000
      5       0.6676      0.00000
      6       3.4770      0.00000

 k-point   255 :       0.2800    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9866      0.99938
      3      -0.6685      0.00000
      4       0.2583      0.00000
      5       0.6152      0.00000
      6       3.4595      0.00000

 k-point   256 :       0.3200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7896      0.00000
      3      -0.9216      0.00000
      4       0.2016      0.00000
      5       0.5797      0.00000
      6       3.4438      0.00000

 k-point   257 :       0.3600    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6199      0.00000
      3      -1.1209      0.00000
      4       0.1744      0.00000
      5       0.5618      0.00000
      6       3.4350      0.00000

 k-point   258 :      -0.1200    0.1200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -3.0224      1.00000
      3       1.2682      0.00000
      4       1.3653      0.00000
      5       1.3654      0.00000
      6       3.3585      0.00000

 k-point   259 :       0.1600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3601      1.00000
      3      -0.0856      0.00000
      4       0.4813      0.00000
      5       0.6604      0.00000
      6       3.5288      0.00000

 k-point   260 :       0.2000    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1962      1.00000
      3      -0.2781      0.00000
      4       0.2835      0.00000
      5       0.5677      0.00000
      6       3.5726      0.00000

 k-point   261 :       0.2400    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0155      1.00000
      3      -0.5035      0.00000
      4       0.1402      0.00000
      5       0.5004      0.00000
      6       3.5983      0.00000

 k-point   262 :       0.2800    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8231      0.00000
      3      -0.7441      0.00000
      4       0.0502      0.00000
      5       0.4529      0.00000
      6       3.6088      0.00000

 k-point   263 :       0.3200    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6358      0.00000
      3      -0.9666      0.00000
      4       0.0011      0.00000
      5       0.4243      0.00000
      6       3.6112      0.00000

 k-point   264 :       0.3600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5326      0.00000
      3      -1.0823      0.00000
      4      -0.0145      0.00000
      5       0.4148      0.00000
      6       3.6113      0.00000

 k-point   265 :      -0.1600    0.1600    0.1200
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.9479      1.00000
      3       1.0620      0.00000
      4       1.2522      0.00000
      5       1.3187      0.00000
      6       3.1481      0.00000

 k-point   266 :       0.2000    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0252      1.00000
      3      -0.4203      0.00000
      4       0.0675      0.00000
      5       0.4666      0.00000
      6       3.6328      0.00000

 k-point   267 :       0.2400    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8406      0.00000
      3      -0.5952      0.00000
      4      -0.0976      0.00000
      5       0.4002      0.00000
      6       3.6750      0.00000

 k-point   268 :       0.2800    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6521      0.00000
      3      -0.7951      0.00000
      4      -0.1939      0.00000
      5       0.3580      0.00000
      6       3.7000      0.00000

 k-point   269 :       0.3200    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4976      0.00000
      3      -0.9622      0.00000
      4      -0.2363      0.00000
      5       0.3372      0.00000
      6       3.7111      0.00000

 k-point   270 :      -0.2000    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8524      1.00000
      3       0.7884      0.00000
      4       1.1356      0.00000
      5       1.2964      0.00000
      6       2.9812      0.00000

 k-point   271 :      -0.1600    0.2000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.8630      1.00000
      3       0.8867      0.00000
      4       1.1084      0.00000
      5       1.2611      0.00000
      6       2.9644      0.00000

 k-point   272 :       0.2400    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6584      0.00000
      3      -0.6942      0.00000
      4      -0.3052      0.00000
      5       0.3387      0.00000
      6       3.7299      0.00000

 k-point   273 :       0.2800    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4903      0.00000
      3      -0.8135      0.00000
      4      -0.4324      0.00000
      5       0.3042      0.00000
      6       3.7624      0.00000

 k-point   274 :       0.3200    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4071      0.00000
      3      -0.8849      0.00000
      4      -0.4708      0.00000
      5       0.2929      0.00000
      6       3.7730      0.00000

 k-point   275 :      -0.2400    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7361      1.00000
      3       0.4890      0.00000
      4       1.0236      0.00000
      5       1.2694      0.00000
      6       2.8634      0.00000

 k-point   276 :      -0.2000    0.2400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.7572      1.00000
      3       0.6369      0.00000
      4       0.9693      0.00000
      5       1.2363      0.00000
      6       2.8293      0.00000

 k-point   277 :       0.2800    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3787      0.00000
      3      -0.7828      0.00000
      4      -0.6247      0.00000
      5       0.2791      0.00000
      6       3.7944      0.00000

 k-point   278 :      -0.2800    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.5993      1.00000
      3       0.1780      0.00000
      4       0.9215      0.00000
      5       1.2369      0.00000
      6       2.7875      0.00000

 k-point   279 :      -0.2400    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6308      1.00000
      3       0.3487      0.00000
      4       0.8496      0.00000
      5       1.2123      0.00000
      6       2.7443      0.00000

 k-point   280 :      -0.2000    0.2800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6413      1.00000
      3       0.4437      0.00000
      4       0.7736      0.00000
      5       1.2181      0.00000
      6       2.7258      0.00000

 k-point   281 :      -0.3200    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4427      1.00000
      3      -0.1347      0.00000
      4       0.8328      0.00000
      5       1.2019      0.00000
      6       2.7420      0.00000

 k-point   282 :      -0.2800    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4842      1.00000
      3       0.0456      0.00000
      4       0.7470      0.00000
      5       1.1848      0.00000
      6       2.7013      0.00000

 k-point   283 :      -0.2400    0.3200    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5051      1.00000
      3       0.1985      0.00000
      4       0.6139      0.00000
      5       1.2050      0.00000
      6       2.6702      0.00000

 k-point   284 :      -0.3600    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2672      1.00000
      3      -0.4413      0.00000
      4       0.7598      0.00000
      5       1.1682      0.00000
      6       2.7157      0.00000

 k-point   285 :      -0.3200    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3183      1.00000
      3      -0.2592      0.00000
      4       0.6618      0.00000
      5       1.1556      0.00000
      6       2.6872      0.00000

 k-point   286 :      -0.2800    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3491      1.00000
      3      -0.0809      0.00000
      4       0.4951      0.00000
      5       1.1896      0.00000
      6       2.6538      0.00000

 k-point   287 :      -0.2400    0.3600    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3594      1.00000
      3       0.0194      0.00000
      4       0.3938      0.00000
      5       1.2071      0.00000
      6       2.6397      0.00000

 k-point   288 :      -0.4000    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0751      1.00000
      3      -0.7351      0.00000
      4       0.7040      0.00000
      5       1.1395      0.00000
      6       2.7004      0.00000

 k-point   289 :      -0.3600    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1346      1.00000
      3      -0.5567      0.00000
      4       0.5946      0.00000
      5       1.1281      0.00000
      6       2.6883      0.00000

 k-point   290 :      -0.3200    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1747      1.00000
      3      -0.3702      0.00000
      4       0.4064      0.00000
      5       1.1720      0.00000
      6       2.6632      0.00000

 k-point   291 :      -0.2800    0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1948      1.00000
      3      -0.2084      0.00000
      4       0.2338      0.00000
      5       1.2072      0.00000
      6       2.6459      0.00000

 k-point   292 :      -0.4400    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8732      0.00000
      3      -1.0063      0.00000
      4       0.6663      0.00000
      5       1.1188      0.00000
      6       2.6916      0.00000

 k-point   293 :      -0.4000    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9369      0.00007
      3      -0.8384      0.00000
      4       0.5462      0.00000
      5       1.1058      0.00000
      6       2.6939      0.00000

 k-point   294 :      -0.3600    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9841      0.99799
      3      -0.6539      0.00000
      4       0.3419      0.00000
      5       1.1549      0.00000
      6       2.6825      0.00000

 k-point   295 :      -0.3200    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0130      1.00000
      3      -0.4685      0.00000
      4       0.1306      0.00000
      5       1.2038      0.00000
      6       2.6752      0.00000

 k-point   296 :      -0.2800    0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0227      1.00000
      3      -0.3602      0.00000
      4       0.0121      0.00000
      5       1.2231      0.00000
      6       2.6735      0.00000

 k-point   297 :      -0.4800    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6941      0.00000
      3      -1.2204      0.00000
      4       0.6473      0.00000
      5       1.1080      0.00000
      6       2.6874      0.00000

 k-point   298 :      -0.4400    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7392      0.00000
      3      -1.0874      0.00000
      4       0.5170      0.00000
      5       1.0914      0.00000
      6       2.6983      0.00000

 k-point   299 :      -0.4000    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7847      0.00000
      3      -0.9181      0.00000
      4       0.2995      0.00000
      5       1.1416      0.00000
      6       2.6990      0.00000

 k-point   300 :      -0.3600    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8183      0.00000
      3      -0.7310      0.00000
      4       0.0653      0.00000
      5       1.1987      0.00000
      6       2.7091      0.00000

 k-point   301 :      -0.3200    0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8358      0.00000
      3      -0.5609      0.00000
      4      -0.1313      0.00000
      5       1.2336      0.00000
      6       2.7242      0.00000

 k-point   302 :      -0.4800   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6234      0.00000
      3      -1.2205      0.00000
      4       0.5072      0.00000
      5       1.0864      0.00000
      6       2.6998      0.00000

 k-point   303 :      -0.4400   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6099      0.00000
      3      -1.1259      0.00000
      4       0.2785      0.00000
      5       1.1343      0.00000
      6       2.7075      0.00000

 k-point   304 :      -0.4000   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6260      0.00000
      3      -0.9675      0.00000
      4       0.0284      0.00000
      5       1.1943      0.00000
      6       2.7321      0.00000

 k-point   305 :      -0.3600   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6427      0.00000
      3      -0.7857      0.00000
      4      -0.2068      0.00000
      5       1.2391      0.00000
      6       2.7746      0.00000

 k-point   306 :      -0.3200   -0.4800    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6491      0.00000
      3      -0.6692      0.00000
      4      -0.3410      0.00000
      5       1.2555      0.00000
      6       2.8021      0.00000

 k-point   307 :      -0.4400   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5167      0.00000
      3      -1.0919      0.00000
      4       0.0163      0.00000
      5       1.1926      0.00000
      6       2.7396      0.00000

 k-point   308 :      -0.4000   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4794      0.00000
      3      -0.9706      0.00000
      4      -0.2395      0.00000
      5       1.2412      0.00000
      6       2.8022      0.00000

 k-point   309 :      -0.3600   -0.4400    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4720      0.00000
      3      -0.8124      0.00000
      4      -0.4554      0.00000
      5       1.2682      0.00000
      6       2.8797      0.00000

 k-point   310 :      -0.4000   -0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3799      0.00000
      3      -0.9002      0.00000
      4      -0.4867      0.00000
      5       1.2724      0.00000
      6       2.9104      0.00000

 k-point   311 :      -0.3600   -0.4000    0.1200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3484      0.00000
      3      -0.7964      0.00000
      4      -0.6482      0.00000
      5       1.2831      0.00000
      6       3.0108      0.00000

 k-point   312 :       0.1600    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2063      1.00000
      3      -0.2289      0.00000
      4       0.3913      0.00000
      5       0.3913      0.00000
      6       3.6818      0.00000

 k-point   313 :       0.2000    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0351      1.00000
      3      -0.3923      0.00000
      4       0.1674      0.00000
      5       0.3174      0.00000
      6       3.7667      0.00000

 k-point   314 :       0.2400    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8501      0.00000
      3      -0.5880      0.00000
      4       0.0118      0.00000
      5       0.2609      0.00000
      6       3.8396      0.00000

 k-point   315 :       0.2800    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6608      0.00000
      3      -0.7997      0.00000
      4      -0.0783      0.00000
      5       0.2228      0.00000
      6       3.8716      0.00000

 k-point   316 :       0.3200    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5048      0.00000
      3      -0.9720      0.00000
      4      -0.1188      0.00000
      5       0.2036      0.00000
      6       3.8912      0.00000

 k-point   317 :      -0.1600    0.1600    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.8736      1.00000
      3       1.0260      0.00000
      4       1.1346      0.00000
      5       1.1346      0.00000
      6       2.9359      0.00000

 k-point   318 :       0.2000    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8592      0.00000
      3      -0.5129      0.00000
      4      -0.0101      0.00000
      5       0.1826      0.00000
      6       3.8589      0.00000

 k-point   319 :       0.2400    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6751      0.00000
      3      -0.6587      0.00000
      4      -0.1740      0.00000
      5       0.1208      0.00000
      6       3.9225      0.00000

 k-point   320 :       0.2800    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5030      0.00000
      3      -0.8194      0.00000
      4      -0.2661      0.00000
      5       0.0876      0.00000
      6       3.9600      0.00000

 k-point   321 :       0.3200    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4159      0.00000
      3      -0.9060      0.00000
      4      -0.2940      0.00000
      5       0.0769      0.00000
      6       3.9722      0.00000

 k-point   322 :      -0.2000    0.2000    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.7783      1.00000
      3       0.8072      0.00000
      4       1.0142      0.00000
      5       1.0922      0.00000
      6       2.7607      0.00000

 k-point   323 :       0.2400    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5045      0.00000
      3      -0.7233      0.00000
      4      -0.3659      0.00000
      5       0.0563      0.00000
      6       3.9840      0.00000

 k-point   324 :       0.2800    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3789      0.00000
      3      -0.7826      0.00000
      4      -0.4808      0.00000
      5       0.0289      0.00000
      6       4.0151      0.00000

 k-point   325 :      -0.2400    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.6623      1.00000
      3       0.5254      0.00000
      4       0.8990      0.00000
      5       1.0795      0.00000
      6       2.6426      0.00000

 k-point   326 :      -0.2000    0.2400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.6728      1.00000
      3       0.6338      0.00000
      4       0.8587      0.00000
      5       1.0431      0.00000
      6       2.6042      0.00000

 k-point   327 :       0.2800    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3308      0.00000
      3      -0.6663      0.00000
      4      -0.6662      0.00000
      5       0.0122      0.00000
      6       4.0341      0.00000

 k-point   328 :      -0.2800    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5259      1.00000
      3       0.2260      0.00000
      4       0.7945      0.00000
      5       1.0613      0.00000
      6       2.5814      0.00000

 k-point   329 :      -0.2400    0.2800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.5468      1.00000
      3       0.3841      0.00000
      4       0.7215      0.00000
      5       1.0311      0.00000
      6       2.5073      0.00000

 k-point   330 :      -0.3200    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.3698      1.00000
      3      -0.0786      0.00000
      4       0.7039      0.00000
      5       1.0371      0.00000
      6       2.5677      0.00000

 k-point   331 :      -0.2800    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4008      1.00000
      3       0.0996      0.00000
      4       0.6123      0.00000
      5       1.0186      0.00000
      6       2.4681      0.00000

 k-point   332 :      -0.2400    0.3200    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4111      1.00000
      3       0.2030      0.00000
      4       0.5218      0.00000
      5       1.0307      0.00000
      6       2.4296      0.00000

 k-point   333 :      -0.3600    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1950      1.00000
      3      -0.3795      0.00000
      4       0.6294      0.00000
      5       1.0106      0.00000
      6       2.5874      0.00000

 k-point   334 :      -0.3200    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2356      1.00000
      3      -0.1945      0.00000
      4       0.5240      0.00000
      5       1.0017      0.00000
      6       2.4772      0.00000

 k-point   335 :      -0.2800    0.3600    0.1600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.2559      1.00000
      3      -0.0328      0.00000
      4       0.3723      0.00000
      5       1.0335      0.00000
      6       2.4074      0.00000

 k-point   336 :      -0.4000    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0039      1.00000
      3      -0.6691      0.00000
      4       0.5726      0.00000
      5       0.9863      0.00000
      6       2.6237      0.00000

 k-point   337 :      -0.3600    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0528      1.00000
      3      -0.4851      0.00000
      4       0.4552      0.00000
      5       0.9827      0.00000
      6       2.5196      0.00000

 k-point   338 :      -0.3200    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0825      1.00000
      3      -0.3012      0.00000
      4       0.2705      0.00000
      5       1.0318      0.00000
      6       2.4320      0.00000

 k-point   339 :      -0.2800    0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0924      1.00000
      3      -0.1934      0.00000
      4       0.1581      0.00000
      5       1.0556      0.00000
      6       2.3977      0.00000

 k-point   340 :      -0.4400    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8036      0.00000
      3      -0.9367      0.00000
      4       0.5342      0.00000
      5       0.9680      0.00000
      6       2.6600      0.00000

 k-point   341 :      -0.4000    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8566      0.00000
      3      -0.7618      0.00000
      4       0.4058      0.00000
      5       0.9656      0.00000
      6       2.5764      0.00000

 k-point   342 :      -0.3600    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8934      0.00000
      3      -0.5740      0.00000
      4       0.2008      0.00000
      5       1.0261      0.00000
      6       2.4891      0.00000

 k-point   343 :      -0.3200    0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9122      0.00000
      3      -0.4054      0.00000
      4       0.0150      0.00000
      5       1.0723      0.00000
      6       2.4332      0.00000

 k-point   344 :      -0.4800    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6272      0.00000
      3      -1.1473      0.00000
      4       0.5149      0.00000
      5       0.9582      0.00000
      6       2.6821      0.00000

 k-point   345 :      -0.4400    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6614      0.00000
      3      -1.0065      0.00000
      4       0.3760      0.00000
      5       0.9539      0.00000
      6       2.6252      0.00000

 k-point   346 :      -0.4000    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6963      0.00000
      3      -0.8312      0.00000
      4       0.1561      0.00000
      5       1.0197      0.00000
      6       2.5568      0.00000

 k-point   347 :      -0.3600    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7199      0.00000
      3      -0.6456      0.00000
      4      -0.0665      0.00000
      5       1.0820      0.00000
      6       2.5005      0.00000

 k-point   348 :      -0.3200    0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7281      0.00000
      3      -0.5308      0.00000
      4      -0.1947      0.00000
      5       1.1066      0.00000
      6       2.4784      0.00000

 k-point   349 :      -0.4800   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5485      0.00000
      3      -1.1361      0.00000
      4       0.3661      0.00000
      5       0.9497      0.00000
      6       2.6446      0.00000

 k-point   350 :      -0.4400   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5255      0.00000
      3      -1.0331      0.00000
      4       0.1341      0.00000
      5       1.0157      0.00000
      6       2.6048      0.00000

 k-point   351 :      -0.4000   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5318      0.00000
      3      -0.8702      0.00000
      4      -0.1092      0.00000
      5       1.0862      0.00000
      6       2.5734      0.00000

 k-point   352 :      -0.3600   -0.4800    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5399      0.00000
      3      -0.7015      0.00000
      4      -0.3162      0.00000
      5       1.1295      0.00000
      6       2.5561      0.00000

 k-point   353 :      -0.4400   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4272      0.00000
      3      -0.9879      0.00000
      4      -0.1227      0.00000
      5       1.0874      0.00000
      6       2.6077      0.00000

 k-point   354 :      -0.4000   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3848      0.00000
      3      -0.8616      0.00000
      4      -0.3640      0.00000
      5       1.1407      0.00000
      6       2.6319      0.00000

 k-point   355 :      -0.3600   -0.4400    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3756      0.00000
      3      -0.7482      0.00000
      4      -0.5114      0.00000
      5       1.1603      0.00000
      6       2.6502      0.00000

 k-point   356 :      -0.4000   -0.4000    0.1600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2963      0.00000
      3      -0.7783      0.00000
      4      -0.5868      0.00000
      5       1.1708      0.00000
      6       2.7293      0.00000

 k-point   357 :       0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6831      0.00000
      3      -0.6008      0.00000
      4      -0.0691      0.00000
      5      -0.0691      0.00000
      6       4.0542      0.00000

 k-point   358 :       0.2400    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5101      0.00000
      3      -0.6968      0.00000
      4      -0.2573      0.00000
      5      -0.1089      0.00000
      6       4.1292      0.00000

 k-point   359 :       0.2800    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3805      0.00000
      3      -0.7880      0.00000
      4      -0.3519      0.00000
      5      -0.1289      0.00000
      6       4.1667      0.00000

 k-point   360 :      -0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.6833      1.00000
      3       0.7888      0.00000
      4       0.8905      0.00000
      5       0.8905      0.00000
      6       2.5598      0.00000

 k-point   361 :       0.2400    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3722      0.00000
      3      -0.7026      0.00000
      4      -0.4067      0.00000
      5      -0.2049      0.00000
      6       4.2175      0.00000

 k-point   362 :       0.2800    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3137      0.00000
      3      -0.6871      0.00000
      4      -0.4999      0.00000
      5      -0.2235      0.00000
      6       4.2420      0.00000

 k-point   363 :      -0.2400    0.2400    0.2000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.5677      1.00000
      3       0.5638      0.00000
      4       0.7728      0.00000
      5       0.8631      0.00000
      6       2.4142      0.00000

 k-point   364 :      -0.2800    0.2800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.4319      1.00000
      3       0.2824      0.00000
      4       0.6662      0.00000
      5       0.8645      0.00000
      6       2.3336      0.00000

 k-point   365 :      -0.2400    0.2800    0.2000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4422      1.00000
      3       0.3990      0.00000
      4       0.6168      0.00000
      5       0.8274      0.00000
      6       2.2838      0.00000

 k-point   366 :      -0.3200    0.3200    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2764      1.00000
      3      -0.0102      0.00000
      4       0.5740      0.00000
      5       0.8581      0.00000
      6       2.3148      0.00000

 k-point   367 :      -0.2800    0.3200    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.2969      1.00000
      3       0.1557      0.00000
      4       0.4888      0.00000
      5       0.8307      0.00000
      6       2.2192      0.00000

 k-point   368 :      -0.3600    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1026      1.00000
      3      -0.3026      0.00000
      4       0.4984      0.00000
      5       0.8447      0.00000
      6       2.3465      0.00000

 k-point   369 :      -0.3200    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1327      1.00000
      3      -0.1194      0.00000
      4       0.3945      0.00000
      5       0.8315      0.00000
      6       2.2163      0.00000

 k-point   370 :      -0.2800    0.3600    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.1428      1.00000
      3      -0.0091      0.00000
      4       0.2936      0.00000
      5       0.8480      0.00000
      6       2.1671      0.00000

 k-point   371 :      -0.4000    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.9129      0.00000
      3      -0.5859      0.00000
      4       0.4407      0.00000
      5       0.8290      0.00000
      6       2.4121      0.00000

 k-point   372 :      -0.3600    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9513      0.03887
      3      -0.3990      0.00000
      4       0.3232      0.00000
      5       0.8263      0.00000
      6       2.2637      0.00000

 k-point   373 :      -0.3200    0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9707      0.83683
      3      -0.2311      0.00000
      4       0.1591      0.00000
      5       0.8661      0.00000
      6       2.1741      0.00000

 k-point   374 :      -0.4400    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7147      0.00000
      3      -0.8486      0.00000
      4       0.4018      0.00000
      5       0.8155      0.00000
      6       2.4885      0.00000

 k-point   375 :      -0.4000    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7570      0.00000
      3      -0.6683      0.00000
      4       0.2727      0.00000
      5       0.8182      0.00000
      6       2.3431      0.00000

 k-point   376 :      -0.3600    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7836      0.00000
      3      -0.4825      0.00000
      4       0.0768      0.00000
      5       0.8768      0.00000
      6       2.2304      0.00000

 k-point   377 :      -0.3200    0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7927      0.00000
      3      -0.3688      0.00000
      4      -0.0443      0.00000
      5       0.9046      0.00000
      6       2.1872      0.00000

 k-point   378 :      -0.4800    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5419      0.00000
      3      -1.0543      0.00000
      4       0.3823      0.00000
      5       0.8079      0.00000
      6       2.5433      0.00000

 k-point   379 :      -0.4400    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5651      0.00000
      3      -0.9069      0.00000
      4       0.2423      0.00000
      5       0.8114      0.00000
      6       2.4253      0.00000

 k-point   380 :      -0.4000    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5897      0.00000
      3      -0.7283      0.00000
      4       0.0276      0.00000
      5       0.8811      0.00000
      6       2.3162      0.00000

 k-point   381 :      -0.3600    0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6038      0.00000
      3      -0.5575      0.00000
      4      -0.1676      0.00000
      5       0.9333      0.00000
      6       2.2483      0.00000

 k-point   382 :      -0.4800   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4560      0.00000
      3      -1.0319      0.00000
      4       0.2322      0.00000
      5       0.8088      0.00000
      6       2.4633      0.00000

 k-point   383 :      -0.4400   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4241      0.00000
      3      -0.9216      0.00000
      4       0.0041      0.00000
      5       0.8822      0.00000
      6       2.3911      0.00000

 k-point   384 :      -0.4000   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4216      0.00000
      3      -0.7583      0.00000
      4      -0.2250      0.00000
      5       0.9497      0.00000
      6       2.3363      0.00000

 k-point   385 :      -0.3600   -0.4800    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4231      0.00000
      3      -0.6414      0.00000
      4      -0.3628      0.00000
      5       0.9763      0.00000
      6       2.3149      0.00000

 k-point   386 :      -0.4400   -0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3233      0.00000
      3      -0.8655      0.00000
      4      -0.2419      0.00000
      5       0.9549      0.00000
      6       2.3886      0.00000

 k-point   387 :      -0.4000   -0.4400    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2807      0.00000
      3      -0.7399      0.00000
      4      -0.4572      0.00000
      5       0.9989      0.00000
      6       2.4078      0.00000

 k-point   388 :      -0.4000   -0.4000    0.2000
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2218      0.00000
      3      -0.6404      0.00000
      4      -0.6403      0.00000
      5       1.0166      0.00000
      6       2.5311      0.00000

 k-point   389 :       0.2400    0.2400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2942      0.00000
      3      -0.6129      0.00000
      4      -0.4272      0.00000
      5      -0.4272      0.00000
      6       4.4127      0.00000

 k-point   390 :      -0.2400    0.2400    0.2400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.4526      1.00000
      3       0.5693      0.00000
      4       0.6529      0.00000
      5       0.6530      0.00000
      6       2.2306      0.00000

 k-point   391 :      -0.2800    0.2800    0.2400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.3175      1.00000
      3       0.3419      0.00000
      4       0.5447      0.00000
      5       0.6477      0.00000
      6       2.1121      0.00000

 k-point   392 :      -0.3200    0.3200    0.2400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.1630      1.00000
      3       0.0671      0.00000
      4       0.4513      0.00000
      5       0.6652      0.00000
      6       2.0635      0.00000

 k-point   393 :      -0.2800    0.3200    0.2400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.1731      1.00000
      3       0.1900      0.00000
      4       0.3959      0.00000
      5       0.6277      0.00000
      6       2.0070      0.00000

 k-point   394 :      -0.3600    0.3600    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.9905      0.99992
      3      -0.2130      0.00000
      4       0.3748      0.00000
      5       0.6720      0.00000
      6       2.0789      0.00000

 k-point   395 :      -0.3200    0.3600    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -2.0102      1.00000
      3      -0.0419      0.00000
      4       0.2818      0.00000
      5       0.6469      0.00000
      6       1.9714      0.00000

 k-point   396 :      -0.4000    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8026      0.00000
      3      -0.4875      0.00000
      4       0.3165      0.00000
      5       0.6702      0.00000
      6       2.1444      0.00000

 k-point   397 :      -0.3600    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8306      0.00000
      3      -0.3022      0.00000
      4       0.2050      0.00000
      5       0.6610      0.00000
      6       1.9991      0.00000

 k-point   398 :      -0.3200    0.4000    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8400      0.00000
      3      -0.1867      0.00000
      4       0.0966      0.00000
      5       0.6806      0.00000
      6       1.9444      0.00000

 k-point   399 :      -0.4400    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6072      0.00000
      3      -0.7432      0.00000
      4       0.2772      0.00000
      5       0.6652      0.00000
      6       2.2369      0.00000

 k-point   400 :      -0.4000    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6389      0.00000
      3      -0.5601      0.00000
      4       0.1525      0.00000
      5       0.6670      0.00000
      6       2.0750      0.00000

 k-point   401 :      -0.3600    0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6556      0.00000
      3      -0.3893      0.00000
      4      -0.0200      0.00000
      5       0.7116      0.00000
      6       1.9781      0.00000

 k-point   402 :      -0.4800    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4389      0.00000
      3      -0.9423      0.00000
      4       0.2575      0.00000
      5       0.6615      0.00000
      6       2.3143      0.00000

 k-point   403 :      -0.4400    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4513      0.00000
      3      -0.7901      0.00000
      4       0.1214      0.00000
      5       0.6682      0.00000
      6       2.1699      0.00000

 k-point   404 :      -0.4000    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4660      0.00000
      3      -0.6129      0.00000
      4      -0.0809      0.00000
      5       0.7312      0.00000
      6       2.0580      0.00000

 k-point   405 :      -0.3600    0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4718      0.00000
      3      -0.4958      0.00000
      4      -0.2094      0.00000
      5       0.7607      0.00000
      6       2.0147      0.00000

 k-point   406 :      -0.4800   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3467      0.00000
      3      -0.9092      0.00000
      4       0.1111      0.00000
      5       0.6681      0.00000
      6       2.2205      0.00000

 k-point   407 :      -0.4400   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3073      0.00000
      3      -0.7933      0.00000
      4      -0.1079      0.00000
      5       0.7400      0.00000
      6       2.1441      0.00000

 k-point   408 :      -0.4000   -0.4800    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2982      0.00000
      3      -0.6399      0.00000
      4      -0.3098      0.00000
      5       0.7927      0.00000
      6       2.0968      0.00000

 k-point   409 :      -0.4400   -0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2085      0.00000
      3      -0.7268      0.00000
      4      -0.3367      0.00000
      5       0.8035      0.00000
      6       2.1605      0.00000

 k-point   410 :      -0.4000   -0.4400    0.2400
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1766      0.00000
      3      -0.6276      0.00000
      4      -0.4902      0.00000
      5       0.8280      0.00000
      6       2.1892      0.00000

 k-point   411 :      -0.2800    0.2800    0.2800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.1833      1.00000
      3       0.3743      0.00000
      4       0.4352      0.00000
      5       0.4353      0.00000
      6       1.9482      0.00000

 k-point   412 :      -0.3200    0.3200    0.2800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -2.0300      1.00000
      3       0.1476      0.00000
      4       0.3409      0.00000
      5       0.4560      0.00000
      6       1.8556      0.00000

 k-point   413 :      -0.3600    0.3600    0.2800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.8592      0.00000
      3      -0.1148      0.00000
      4       0.2637      0.00000
      5       0.4893      0.00000
      6       1.8359      0.00000

 k-point   414 :      -0.3200    0.3600    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.8688      0.00000
      3       0.0123      0.00000
      4       0.2041      0.00000
      5       0.4520      0.00000
      6       1.7753      0.00000

 k-point   415 :      -0.4000    0.4000    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6737      0.00000
      3      -0.3766      0.00000
      4       0.2049      0.00000
      5       0.5085      0.00000
      6       1.8802      0.00000

 k-point   416 :      -0.3600    0.4000    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.6916      0.00000
      3      -0.2034      0.00000
      4       0.1069      0.00000
      5       0.4859      0.00000
      6       1.7666      0.00000

 k-point   417 :      -0.4400    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.4820      0.00000
      3      -0.6225      0.00000
      4       0.1653      0.00000
      5       0.5169      0.00000
      6       1.9684      0.00000

 k-point   418 :      -0.4000    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5034      0.00000
      3      -0.4415      0.00000
      4       0.0493      0.00000
      5       0.5111      0.00000
      6       1.8204      0.00000

 k-point   419 :      -0.3600    0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5110      0.00000
      3      -0.3230      0.00000
      4      -0.0648      0.00000
      5       0.5325      0.00000
      6       1.7643      0.00000

 k-point   420 :      -0.4800    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3194      0.00000
      3      -0.8132      0.00000
      4       0.1454      0.00000
      5       0.5194      0.00000
      6       2.0560      0.00000

 k-point   421 :      -0.4400    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3213      0.00000
      3      -0.6587      0.00000
      4       0.0166      0.00000
      5       0.5244      0.00000
      6       1.9114      0.00000

 k-point   422 :      -0.4000    0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3273      0.00000
      3      -0.4946      0.00000
      4      -0.1610      0.00000
      5       0.5707      0.00000
      6       1.8220      0.00000

 k-point   423 :      -0.4800   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.2223      0.00000
      3      -0.7702      0.00000
      4       0.0059      0.00000
      5       0.5283      0.00000
      6       1.9688      0.00000

 k-point   424 :      -0.4400   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1776      0.00000
      3      -0.6515      0.00000
      4      -0.1980      0.00000
      5       0.5904      0.00000
      6       1.9074      0.00000

 k-point   425 :      -0.4000   -0.4800    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1672      0.00000
      3      -0.5425      0.00000
      4      -0.3348      0.00000
      5       0.6188      0.00000
      6       1.8835      0.00000

 k-point   426 :      -0.4400   -0.4400    0.2800
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0902      0.00000
      3      -0.5756      0.00000
      4      -0.4002      0.00000
      5       0.6363      0.00000
      6       1.9577      0.00000

 k-point   427 :      -0.3200    0.3200    0.3200
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.8785      0.00000
      3       0.2079      0.00000
      4       0.2458      0.00000
      5       0.2459      0.00000
      6       1.7129      0.00000

 k-point   428 :      -0.3600    0.3600    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.7099      0.00000
      3      -0.0142      0.00000
      4       0.1681      0.00000
      5       0.2928      0.00000
      6       1.6454      0.00000

 k-point   429 :      -0.4000    0.4000    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5276      0.00000
      3      -0.2579      0.00000
      4       0.1089      0.00000
      5       0.3395      0.00000
      6       1.6521      0.00000

 k-point   430 :      -0.3600    0.4000    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5359      0.00000
      3      -0.1293      0.00000
      4       0.0464      0.00000
      5       0.3035      0.00000
      6       1.5894      0.00000

 k-point   431 :      -0.4400    0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3406      0.00000
      3      -0.4902      0.00000
      4       0.0690      0.00000
      5       0.3676      0.00000
      6       1.7194      0.00000

 k-point   432 :      -0.4000    0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3524      0.00000
      3      -0.3213      0.00000
      4      -0.0320      0.00000
      5       0.3483      0.00000
      6       1.6060      0.00000

 k-point   433 :      -0.4800    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1849      0.00000
      3      -0.6697      0.00000
      4       0.0490      0.00000
      5       0.3800      0.00000
      6       1.8059      0.00000

 k-point   434 :      -0.4400    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1774      0.00000
      3      -0.5175      0.00000
      4      -0.0692      0.00000
      5       0.3779      0.00000
      6       1.6784      0.00000

 k-point   435 :      -0.4000    0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1773      0.00000
      3      -0.4026      0.00000
      4      -0.1877      0.00000
      5       0.4001      0.00000
      6       1.6285      0.00000

 k-point   436 :      -0.4800   -0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0851      0.00000
      3      -0.6185      0.00000
      4      -0.0808      0.00000
      5       0.3877      0.00000
      6       1.7371      0.00000

 k-point   437 :      -0.4400   -0.4800    0.3200
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0404      0.00000
      3      -0.5038      0.00000
      4      -0.2599      0.00000
      5       0.4322      0.00000
      6       1.7024      0.00000

 k-point   438 :      -0.4400   -0.4400    0.3200
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.9825      0.00000
      3      -0.4191      0.00000
      4      -0.4190      0.00000
      5       0.4556      0.00000
      6       1.7953      0.00000

 k-point   439 :      -0.3600    0.3600    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.5443      0.00000
      3       0.0721      0.00000
      4       0.0899      0.00000
      5       0.0900      0.00000
      6       1.5246      0.00000

 k-point   440 :      -0.4000    0.4000    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.3663      0.00000
      3      -0.1389      0.00000
      4       0.0304      0.00000
      5       0.1595      0.00000
      6       1.4816      0.00000

 k-point   441 :      -0.4400    0.4400    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1854      0.00000
      3      -0.3521      0.00000
      4      -0.0096      0.00000
      5       0.2134      0.00000
      6       1.5123      0.00000

 k-point   442 :      -0.4000    0.4400    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.1892      0.00000
      3      -0.2279      0.00000
      4      -0.0740      0.00000
      5       0.1810      0.00000
      6       1.4498      0.00000

 k-point   443 :      -0.4800    0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4076      1.00000
      2      -1.0382      0.00000
      3      -0.5170      0.00000
      4      -0.0297      0.00000
      5       0.2401      0.00000
      6       1.5857      0.00000

 k-point   444 :      -0.4400    0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.0237      0.00000
      3      -0.3763      0.00000
      4      -0.1320      0.00000
      5       0.2267      0.00000
      6       1.4890      0.00000

 k-point   445 :      -0.4800   -0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.9396      0.00000
      3      -0.4613      0.00000
      4      -0.1468      0.00000
      5       0.2439      0.00000
      6       1.5431      0.00000

 k-point   446 :      -0.4400   -0.4800    0.3600
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.9060      0.00000
      3      -0.3752      0.00000
      4      -0.2704      0.00000
      5       0.2658      0.00000
      6       1.5375      0.00000

 k-point   447 :      -0.4000    0.4000    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.1940      0.00000
      3      -0.0320      0.00000
      4      -0.0293      0.00000
      5      -0.0292      0.00000
      6       1.3834      0.00000

 k-point   448 :      -0.4400    0.4400    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -1.0213      0.00000
      3      -0.2188      0.00000
      4      -0.0694      0.00000
      5       0.0526      0.00000
      6       1.3643      0.00000

 k-point   449 :      -0.4800    0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8843      0.00000
      3      -0.3649      0.00000
      4      -0.0896      0.00000
      5       0.0977      0.00000
      6       1.4108      0.00000

 k-point   450 :      -0.4400    0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8689      0.00000
      3      -0.2648      0.00000
      4      -0.1551      0.00000
      5       0.0746      0.00000
      6       1.3566      0.00000

 k-point   451 :      -0.4800   -0.4800    0.4000
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.7951      0.00000
      3      -0.3119      0.00000
      4      -0.1883      0.00000
      5       0.0976      0.00000
      6       1.3985      0.00000

 k-point   452 :      -0.4400    0.4400    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.8592      0.00000
      3      -0.1097      0.00000
      4      -0.1096      0.00000
      5      -0.1053      0.00000
      6       1.2892      0.00000

 k-point   453 :      -0.4800    0.4800    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.7343      0.00000
      3      -0.2319      0.00000
      4      -0.1299      0.00000
      5      -0.0418      0.00000
      6       1.2926      0.00000

 k-point   454 :      -0.4800   -0.4800    0.4400
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.6734      0.00000
      3      -0.1960      0.00000
      4      -0.1959      0.00000
      5      -0.0418      0.00000
      6       1.3099      0.00000

 k-point   455 :      -0.4800    0.4800    0.4800
  band No.  band energies     occupation 
      1     -51.4075      1.00000
      2      -0.6210      0.00000
      3      -0.1502      0.00000
      4      -0.1501      0.00000
      5      -0.1485      0.00000
      6       1.2421      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 pseudopotential strength for first ion, spin component:           1
-43.786   1.942  -0.000  -0.000   0.000
  1.942  -8.213  -0.000  -0.000   0.000
 -0.000  -0.000   0.149  -0.000  -0.000
 -0.000  -0.000  -0.000   0.149  -0.000
  0.000   0.000  -0.000  -0.000   0.149
 pseudopotential strength for first ion, spin component:           2
-43.786   1.942  -0.000  -0.000   0.000
  1.942  -8.214  -0.000  -0.000   0.000
 -0.000  -0.000   0.149  -0.000  -0.000
 -0.000  -0.000  -0.000   0.149  -0.000
  0.000   0.000  -0.000  -0.000   0.149
 total augmentation occupancy for first ion, spin component:           1
  2.000  -0.005   0.000   0.000   0.000
 -0.005   0.636   0.000   0.000   0.000
  0.000   0.000   0.002   0.000   0.000
  0.000   0.000   0.000   0.002   0.000
  0.000   0.000  -0.000   0.000   0.002
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000
  0.000   0.003   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.000
  0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000   0.000


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


    CHARGE:  cpu time    1.8237: real time    1.8859
    FORLOC:  cpu time    0.0017: real time    0.0026
    FORNL :  cpu time    1.0577: real time    1.0586
    STRESS:  cpu time    8.9381: real time    9.2255
    FORHAR:  cpu time    0.0184: real time    0.0194
    MIXING:  cpu time    0.0055: real time    0.0055
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     0.17694     0.17694     0.17694
  Ewald     -12.31283   -12.31283   -12.31283    -0.00000     0.00000     0.00000
  Hartree    18.98412    18.98412    18.98412    -0.00000    -0.00000    -0.00000
  E(xc)     -12.51665   -12.51665   -12.51665     0.00001     0.00001     0.00001
  Local     -34.01716   -34.01716   -34.01716     0.00021     0.00021     0.00021
  n-local   -15.50768   -15.53178   -15.53124    -0.01334     0.01953     0.01845
  augment    18.23406    18.23406    18.23406    -0.00030    -0.00029    -0.00029
  Kinetic    36.43673    36.01438    36.04203    -0.15675     0.24581     0.25055
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.81070    -0.81070    -0.81070    -0.00000     0.00000     0.00000
  in kB      -9.98401    -9.98401    -9.98401    -0.00000     0.00000     0.00000
  external pressure =       -9.98 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      130.10
      direct lattice vectors                 reciprocal lattice vectors
    -3.192047850  3.192047850  3.192047850     0.000000000  0.156639256  0.156639256
     3.192047850 -3.192047850  3.192047850     0.156639256  0.000000000  0.156639256
     3.192047850  3.192047850 -3.192047850     0.156639256  0.156639256  0.000000000

  length of vectors
     5.528789056  5.528789056  5.528789056     0.221521360  0.221521360  0.221521360


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.200E-14 -.248E-14 0.420E-14   -.192E-16 -.509E-17 -.865E-16   0.103E-22 0.372E-23 0.951E-23   0.463E-14 0.241E-14 0.165E-14
 -----------------------------------------------------------------------------------------------
   -.200E-14 -.248E-14 0.420E-14   -.192E-16 -.509E-17 -.865E-16   0.103E-22 0.372E-23 0.951E-23   0.463E-14 0.241E-14 0.165E-14


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000      0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -0.56817478 eV

  energy  without entropy=       -0.56813197  energy(sigma->0) =       -0.56815338



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


    POTLOK:  cpu time    0.2509: real time    0.2510


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


     LOOP+:  cpu time  954.7750: real time 1033.9235


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



 plasma frequency squared (from intraband transitions) (eV^2)
  --------------------------------------------------------------------------------------
       5.852       0.000       0.000
      -0.000       5.852       0.000
      -0.000      -0.000       5.852

 electrical conductivity sigma (Mega S m-1) (frequency dependency in vasprun.xml)
  --------------------------------------------------------------------------------------
       0.012      -0.000      -0.000
       0.000       0.012       0.000
      -0.000      -0.000       0.012

 plasma frequency squared (from interband transitions, int dw w eps(2)(w)) (eV^2)
  --------------------------------------------------------------------------------------
       2.176       0.000      -0.000       0.000       0.000       0.000
      -0.000      -0.000       2.176       0.000      -0.000      -0.000
       0.000      -0.000      -0.000       0.000       2.176       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):      31.796

 Anomalous Hall contribution (eV) 2/pi Imag((f_n-f_m)<u_m| d/dk_a u_n> <u_m| d/dk_b u_n>^*) 
  --------------------------------------------------------------------------------------
       0.000      -0.000      -0.000
       0.000       0.000       0.000
       0.000      -0.000       0.000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
    0.670525    0.033251    0.033251    0.033251   -0.000000   -0.000000    0.000000
    1.341050    0.469537    0.469537    0.469537    0.000000    0.000000   -0.000000
    2.011576    0.162513    0.162513    0.162513   -0.000000   -0.000000    0.000000
    2.682101    0.060546    0.060546    0.060546    0.000000    0.000000    0.000000
    3.352626    0.021663    0.021663    0.021663    0.000000    0.000000    0.000000
    4.023151    0.005940    0.005940    0.005940    0.000000    0.000000    0.000000
    4.693677    0.005126    0.005126    0.005126    0.000000    0.000000    0.000000
    5.364202    0.004093    0.004093    0.004093   -0.000000    0.000000   -0.000000
    6.034727    0.001108    0.001108    0.001108    0.000000   -0.000000   -0.000000
    6.705252    0.000488    0.000488    0.000488    0.000000    0.000000    0.000000
    7.375778    0.000326    0.000326    0.000326    0.000000    0.000000    0.000000
    8.046303    0.000237    0.000237    0.000237    0.000000    0.000000    0.000000
    8.716828    0.000180    0.000180    0.000180    0.000000    0.000000    0.000000
    9.387353    0.000141    0.000141    0.000141    0.000000    0.000000    0.000000
   10.057879    0.000113    0.000113    0.000113    0.000000    0.000000    0.000000
   10.728404    0.000092    0.000092    0.000092    0.000000    0.000000    0.000000
   11.398929    0.000076    0.000076    0.000076    0.000000    0.000000    0.000000
   12.069454    0.000063    0.000063    0.000063    0.000000    0.000000    0.000000
   12.739980    0.000054    0.000054    0.000054    0.000000    0.000000    0.000000
   13.410505    0.000046    0.000046    0.000046    0.000000    0.000000    0.000000
   14.081030    0.000040    0.000040    0.000040    0.000000    0.000000    0.000000
   14.751555    0.000034    0.000034    0.000034    0.000000    0.000000    0.000000
   15.422081    0.000030    0.000030    0.000030    0.000000    0.000000    0.000000
   16.092606    0.000027    0.000027    0.000027    0.000000    0.000000    0.000000
   16.763131    0.000024    0.000024    0.000024    0.000000    0.000000    0.000000
   17.433656    0.000021    0.000021    0.000021    0.000000    0.000000    0.000000
   18.104182    0.000019    0.000019    0.000019    0.000000    0.000000    0.000000
   18.774707    0.000017    0.000017    0.000017    0.000000    0.000000    0.000000
   19.445232    0.000016    0.000016    0.000016    0.000000    0.000000    0.000000
   20.115757    0.000014    0.000014    0.000014    0.000000    0.000000    0.000000
   20.786282    0.000013    0.000013    0.000013    0.000000    0.000000    0.000000
   21.456808    0.000012    0.000012    0.000012    0.000000    0.000000    0.000000
   22.127333    0.000011    0.000011    0.000011    0.000000    0.000000    0.000000
   22.797858    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   23.468383    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   24.138909    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   24.809434    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   25.479959    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   26.150484    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   26.821010    0.000008    0.000008    0.000008   -0.000000    0.000000    0.000000
   27.491535    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   28.162060    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   28.832585    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   29.503111    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   30.173636    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   30.844161    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   31.514686    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   32.185212    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   32.855737    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   33.526262    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   34.196787    0.000007    0.000007    0.000007   -0.000000    0.000000    0.000000
   34.867313    0.000008    0.000008    0.000008   -0.000000    0.000000    0.000000
   35.537838    0.000008    0.000008    0.000008   -0.000000    0.000000    0.000000
   36.208363    0.000008    0.000008    0.000008   -0.000000    0.000000    0.000000
   36.878888    0.000009    0.000009    0.000009   -0.000000    0.000000    0.000000
   37.549413    0.000009    0.000009    0.000009   -0.000000    0.000000    0.000000
   38.219939    0.000010    0.000010    0.000010   -0.000000    0.000000    0.000000
   38.890464    0.000011    0.000011    0.000011   -0.000000    0.000000    0.000000
   39.560989    0.000012    0.000012    0.000012   -0.000000    0.000000    0.000000
   40.231514    0.000013    0.000013    0.000013   -0.000000    0.000000    0.000000
   40.902040    0.000014    0.000014    0.000014   -0.000000    0.000000    0.000000
   41.572565    0.000016    0.000016    0.000016   -0.000000    0.000000    0.000000
   42.243090    0.000018    0.000018    0.000018   -0.000000   -0.000000    0.000000
   42.913615    0.000020    0.000020    0.000020   -0.000000   -0.000000    0.000000
   43.584141    0.000023    0.000023    0.000023   -0.000000   -0.000000    0.000000
   44.254666    0.000027    0.000027    0.000027   -0.000000   -0.000000    0.000000
   44.925191    0.000033    0.000033    0.000033   -0.000000   -0.000000    0.000000
   45.595716    0.000040    0.000040    0.000040   -0.000000   -0.000000    0.000000
   46.266242    0.000050    0.000050    0.000050   -0.000000   -0.000000    0.000000
   46.936767    0.000065    0.000065    0.000065   -0.000000   -0.000000    0.000000
   47.607292    0.000089    0.000089    0.000089   -0.000000   -0.000000    0.000000
   48.277817    0.000132    0.000132    0.000132   -0.000000   -0.000000    0.000000
   48.948343    0.000238    0.000238    0.000238   -0.000000   -0.000000    0.000000
   49.618868    0.001335    0.001335    0.001335   -0.000000   -0.000000    0.000000
   50.289393    0.004143    0.004143    0.004143    0.000000    0.000000    0.000000
   50.959918    0.008305    0.008305    0.008305   -0.000000   -0.000000   -0.000000
   51.630444    0.013346    0.013346    0.013346   -0.000000   -0.000000   -0.000000
   52.300969    0.020559    0.020559    0.020559   -0.000000   -0.000000    0.000000
   52.971494    0.012835    0.012835    0.012835   -0.000000   -0.000000    0.000000
   53.642019    0.002062    0.002062    0.002062   -0.000000   -0.000000    0.000000
   54.312545    0.003630    0.003630    0.003630    0.000000    0.000000   -0.000000
   54.983070    0.002613    0.002613    0.002613   -0.000000   -0.000000    0.000000
   55.653595    0.000764    0.000764    0.000764   -0.000000   -0.000000    0.000000
   56.324120    0.000156    0.000156    0.000156   -0.000000   -0.000000   -0.000000
   56.994645    0.000093    0.000093    0.000093   -0.000000   -0.000000    0.000000
   57.665171    0.000066    0.000066    0.000066   -0.000000   -0.000000    0.000000
   58.335696    0.000049    0.000049    0.000049   -0.000000   -0.000000    0.000000
   59.006221    0.000039    0.000039    0.000039   -0.000000   -0.000000    0.000000
   59.676746    0.000032    0.000032    0.000032   -0.000000   -0.000000    0.000000
   60.347272    0.000026    0.000026    0.000026   -0.000000   -0.000000    0.000000
   61.017797    0.000022    0.000022    0.000022   -0.000000   -0.000000    0.000000
   61.688322    0.000019    0.000019    0.000019   -0.000000   -0.000000    0.000000
   62.358847    0.000016    0.000016    0.000016   -0.000000   -0.000000    0.000000
   63.029373    0.000014    0.000014    0.000014   -0.000000   -0.000000    0.000000
   63.699898    0.000013    0.000013    0.000013   -0.000000   -0.000000    0.000000
   64.370423    0.000011    0.000011    0.000011   -0.000000   -0.000000    0.000000
   65.040948    0.000010    0.000010    0.000010   -0.000000   -0.000000    0.000000
   65.711474    0.000009    0.000009    0.000009   -0.000000   -0.000000    0.000000
   66.381999    0.000008    0.000008    0.000008   -0.000000   -0.000000    0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    1.206437    1.206437    1.206437   -0.000000    0.000000    0.000000
    0.670525    1.276048    1.276048    1.276048   -0.000000    0.000000    0.000000
    1.341050    1.126512    1.126512    1.126512    0.000000    0.000000   -0.000000
    2.011576    0.886415    0.886415    0.886415   -0.000000   -0.000000    0.000000
    2.682101    0.906225    0.906225    0.906225   -0.000000   -0.000000   -0.000000
    3.352626    0.935758    0.935758    0.935758   -0.000000   -0.000000   -0.000000
    4.023151    0.959272    0.959272    0.959272   -0.000000   -0.000000   -0.000000
    4.693677    0.975169    0.975169    0.975169   -0.000000   -0.000000   -0.000000
    5.364202    0.978688    0.978688    0.978688   -0.000000   -0.000000   -0.000000
    6.034727    0.983413    0.983413    0.983413   -0.000000   -0.000000   -0.000000
    6.705252    0.987492    0.987492    0.987492   -0.000000   -0.000000   -0.000000
    7.375778    0.990109    0.990109    0.990109   -0.000000   -0.000000   -0.000000
    8.046303    0.991966    0.991966    0.991966   -0.000000   -0.000000   -0.000000
    8.716828    0.993351    0.993351    0.993351   -0.000000   -0.000000   -0.000000
    9.387353    0.994420    0.994420    0.994420   -0.000000   -0.000000   -0.000000
   10.057879    0.995266    0.995266    0.995266   -0.000000   -0.000000   -0.000000
   10.728404    0.995948    0.995948    0.995948   -0.000000   -0.000000   -0.000000
   11.398929    0.996508    0.996508    0.996508   -0.000000   -0.000000   -0.000000
   12.069454    0.996973    0.996973    0.996973   -0.000000   -0.000000   -0.000000
   12.739980    0.997365    0.997365    0.997365   -0.000000   -0.000000   -0.000000
   13.410505    0.997698    0.997698    0.997698   -0.000000   -0.000000   -0.000000
   14.081030    0.997984    0.997984    0.997984   -0.000000   -0.000000   -0.000000
   14.751555    0.998231    0.998231    0.998231   -0.000000   -0.000000   -0.000000
   15.422081    0.998447    0.998447    0.998447   -0.000000   -0.000000   -0.000000
   16.092606    0.998637    0.998637    0.998637   -0.000000   -0.000000   -0.000000
   16.763131    0.998806    0.998806    0.998806   -0.000000   -0.000000   -0.000000
   17.433656    0.998955    0.998955    0.998955   -0.000000   -0.000000   -0.000000
   18.104182    0.999090    0.999090    0.999090   -0.000000   -0.000000   -0.000000
   18.774707    0.999211    0.999211    0.999211   -0.000000   -0.000000   -0.000000
   19.445232    0.999320    0.999320    0.999320   -0.000000   -0.000000   -0.000000
   20.115757    0.999420    0.999420    0.999420   -0.000000   -0.000000   -0.000000
   20.786282    0.999512    0.999512    0.999512   -0.000000   -0.000000   -0.000000
   21.456808    0.999596    0.999596    0.999596   -0.000000   -0.000000   -0.000000
   22.127333    0.999674    0.999674    0.999674   -0.000000   -0.000000   -0.000000
   22.797858    0.999746    0.999746    0.999746   -0.000000   -0.000000   -0.000000
   23.468383    0.999814    0.999814    0.999814   -0.000000   -0.000000   -0.000000
   24.138909    0.999878    0.999878    0.999878   -0.000000   -0.000000   -0.000000
   24.809434    0.999938    0.999938    0.999938   -0.000000   -0.000000   -0.000000
   25.479959    0.999995    0.999995    0.999995   -0.000000   -0.000000   -0.000000
   26.150484    1.000049    1.000049    1.000049   -0.000000   -0.000000    0.000000
   26.821010    1.000102    1.000102    1.000102   -0.000000   -0.000000    0.000000
   27.491535    1.000152    1.000152    1.000152   -0.000000   -0.000000    0.000000
   28.162060    1.000201    1.000201    1.000201   -0.000000   -0.000000    0.000000
   28.832585    1.000249    1.000249    1.000249   -0.000000   -0.000000    0.000000
   29.503111    1.000295    1.000295    1.000295   -0.000000   -0.000000    0.000000
   30.173636    1.000342    1.000342    1.000342   -0.000000   -0.000000    0.000000
   30.844161    1.000387    1.000387    1.000387   -0.000000   -0.000000    0.000000
   31.514686    1.000433    1.000433    1.000433   -0.000000   -0.000000    0.000000
   32.185212    1.000479    1.000479    1.000479   -0.000000   -0.000000    0.000000
   32.855737    1.000525    1.000525    1.000525   -0.000000   -0.000000    0.000000
   33.526262    1.000573    1.000573    1.000573   -0.000000   -0.000000    0.000000
   34.196787    1.000621    1.000621    1.000621   -0.000000   -0.000000    0.000000
   34.867313    1.000671    1.000671    1.000671   -0.000000   -0.000000    0.000000
   35.537838    1.000723    1.000723    1.000723   -0.000000   -0.000000    0.000000
   36.208363    1.000777    1.000777    1.000777   -0.000000   -0.000000    0.000000
   36.878888    1.000833    1.000833    1.000833   -0.000000   -0.000000    0.000000
   37.549413    1.000893    1.000893    1.000893   -0.000000   -0.000000    0.000000
   38.219939    1.000957    1.000957    1.000957   -0.000000   -0.000000    0.000000
   38.890464    1.001026    1.001026    1.001026   -0.000000   -0.000000    0.000000
   39.560989    1.001100    1.001100    1.001100   -0.000000   -0.000000    0.000000
   40.231514    1.001181    1.001181    1.001181   -0.000000   -0.000000    0.000000
   40.902040    1.001270    1.001270    1.001270   -0.000000   -0.000000    0.000000
   41.572565    1.001369    1.001369    1.001369   -0.000000   -0.000000    0.000000
   42.243090    1.001480    1.001480    1.001480   -0.000000   -0.000000    0.000000
   42.913615    1.001606    1.001606    1.001606   -0.000000   -0.000000    0.000000
   43.584141    1.001751    1.001751    1.001751   -0.000000   -0.000000    0.000000
   44.254666    1.001919    1.001919    1.001919   -0.000000   -0.000000    0.000000
   44.925191    1.002119    1.002119    1.002119   -0.000000   -0.000000    0.000000
   45.595716    1.002359    1.002359    1.002359   -0.000000   -0.000000    0.000000
   46.266242    1.002657    1.002657    1.002657   -0.000000   -0.000000    0.000000
   46.936767    1.003038    1.003038    1.003038   -0.000000   -0.000000    0.000000
   47.607292    1.003546    1.003546    1.003546   -0.000000   -0.000000    0.000000
   48.277817    1.004269    1.004269    1.004269   -0.000000   -0.000000    0.000000
   48.948343    1.005436    1.005436    1.005436   -0.000000   -0.000000    0.000000
   49.618868    1.007287    1.007287    1.007287   -0.000000    0.000000    0.000000
   50.289393    1.010386    1.010386    1.010386   -0.000000   -0.000000    0.000000
   50.959918    1.009637    1.009637    1.009637   -0.000000    0.000000   -0.000000
   51.630444    1.008012    1.008012    1.008012   -0.000000   -0.000000    0.000000
   52.300969    1.003014    1.003014    1.003014   -0.000000   -0.000000    0.000000
   52.971494    0.980301    0.980301    0.980301    0.000000    0.000000   -0.000000
   53.642019    0.991774    0.991774    0.991774    0.000000    0.000000   -0.000000
   54.312545    0.993507    0.993507    0.993507    0.000000    0.000000   -0.000000
   54.983070    0.993251    0.993251    0.993251    0.000000    0.000000   -0.000000
   55.653595    0.994056    0.994056    0.994056    0.000000    0.000000    0.000000
   56.324120    0.995576    0.995576    0.995576    0.000000    0.000000   -0.000000
   56.994645    0.996371    0.996371    0.996371    0.000000    0.000000   -0.000000
   57.665171    0.996892    0.996892    0.996892    0.000000    0.000000   -0.000000
   58.335696    0.997273    0.997273    0.997273    0.000000    0.000000   -0.000000
   59.006221    0.997567    0.997567    0.997567    0.000000    0.000000   -0.000000
   59.676746    0.997803    0.997803    0.997803    0.000000    0.000000   -0.000000
   60.347272    0.997996    0.997996    0.997996    0.000000    0.000000   -0.000000
   61.017797    0.998157    0.998157    0.998157    0.000000    0.000000   -0.000000
   61.688322    0.998295    0.998295    0.998295    0.000000    0.000000   -0.000000
   62.358847    0.998414    0.998414    0.998414    0.000000    0.000000   -0.000000
   63.029373    0.998517    0.998517    0.998517    0.000000    0.000000   -0.000000
   63.699898    0.998608    0.998608    0.998608    0.000000    0.000000   -0.000000
   64.370423    0.998689    0.998689    0.998689    0.000000    0.000000   -0.000000
   65.040948    0.998762    0.998762    0.998762    0.000000    0.000000   -0.000000
   65.711474    0.998827    0.998827    0.998827    0.000000    0.000000   -0.000000
   66.381999    0.998885    0.998885    0.998885    0.000000    0.000000   -0.000000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.618684    0.618684    0.618684   -0.000000   -0.000000    0.000000
    0.670525    0.115839    0.115839    0.115839   -0.000000    0.000000    0.000000
    1.341050    0.483098    0.483098    0.483098   -0.000000   -0.000000    0.000000
    2.011576    0.150709    0.150709    0.150709   -0.000000    0.000000    0.000000
    2.682101    0.053429    0.053429    0.053429   -0.000000   -0.000000   -0.000000
    3.352626    0.017811    0.017811    0.017811    0.000000    0.000000   -0.000000
    4.023151    0.003909    0.003909    0.003909   -0.000000   -0.000000    0.000000
    4.693677    0.004064    0.004064    0.004064   -0.000000   -0.000000    0.000000
    5.364202    0.003298    0.003298    0.003298    0.000000    0.000000    0.000000
    6.034727    0.000558    0.000558    0.000558    0.000000    0.000000    0.000000
    6.705252    0.000115    0.000115    0.000115    0.000000    0.000000    0.000000
    7.375778    0.000058    0.000058    0.000058    0.000000    0.000000    0.000000
    8.046303    0.000037    0.000037    0.000037    0.000000    0.000000    0.000000
    8.716828    0.000028    0.000028    0.000028    0.000000    0.000000    0.000000
    9.387353    0.000022    0.000022    0.000022    0.000000    0.000000    0.000000
   10.057879    0.000019    0.000019    0.000019    0.000000    0.000000    0.000000
   10.728404    0.000016    0.000016    0.000016    0.000000    0.000000    0.000000
   11.398929    0.000015    0.000015    0.000015    0.000000    0.000000    0.000000
   12.069454    0.000013    0.000013    0.000013    0.000000    0.000000    0.000000
   12.739980    0.000012    0.000012    0.000012    0.000000    0.000000    0.000000
   13.410505    0.000012    0.000012    0.000012    0.000000    0.000000    0.000000
   14.081030    0.000011    0.000011    0.000011    0.000000    0.000000    0.000000
   14.751555    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   15.422081    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   16.092606    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   16.763131    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   17.433656    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   18.104182    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   18.774707    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   19.445232    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   20.115757    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   20.786282    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   21.456808    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   22.127333    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   22.797858    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   23.468383    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   24.138909    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   24.809434    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   25.479959    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   26.150484    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   26.821010    0.000008    0.000008    0.000008    0.000000    0.000000    0.000000
   27.491535    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   28.162060    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   28.832585    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   29.503111    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   30.173636    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   30.844161    0.000009    0.000009    0.000009    0.000000    0.000000    0.000000
   31.514686    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   32.185212    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   32.855737    0.000010    0.000010    0.000010    0.000000    0.000000    0.000000
   33.526262    0.000011    0.000011    0.000011    0.000000    0.000000    0.000000
   34.196787    0.000011    0.000011    0.000011    0.000000    0.000000    0.000000
   34.867313    0.000011    0.000011    0.000011    0.000000    0.000000    0.000000
   35.537838    0.000012    0.000012    0.000012    0.000000    0.000000    0.000000
   36.208363    0.000013    0.000013    0.000013    0.000000    0.000000    0.000000
   36.878888    0.000013    0.000013    0.000013    0.000000    0.000000    0.000000
   37.549413    0.000014    0.000014    0.000014    0.000000    0.000000    0.000000
   38.219939    0.000015    0.000015    0.000015    0.000000    0.000000    0.000000
   38.890464    0.000016    0.000016    0.000016    0.000000    0.000000    0.000000
   39.560989    0.000017    0.000017    0.000017    0.000000    0.000000    0.000000
   40.231514    0.000019    0.000019    0.000019    0.000000    0.000000    0.000000
   40.902040    0.000020    0.000020    0.000020    0.000000    0.000000    0.000000
   41.572565    0.000022    0.000022    0.000022    0.000000    0.000000    0.000000
   42.243090    0.000025    0.000025    0.000025    0.000000    0.000000    0.000000
   42.913615    0.000028    0.000028    0.000028    0.000000    0.000000    0.000000
   43.584141    0.000031    0.000031    0.000031    0.000000    0.000000    0.000000
   44.254666    0.000036    0.000036    0.000036    0.000000    0.000000    0.000000
   44.925191    0.000042    0.000042    0.000042    0.000000    0.000000    0.000000
   45.595716    0.000050    0.000050    0.000050    0.000000    0.000000    0.000000
   46.266242    0.000061    0.000061    0.000061    0.000000   -0.000000    0.000000
   46.936767    0.000078    0.000078    0.000078   -0.000000   -0.000000    0.000000
   47.607292    0.000104    0.000104    0.000104   -0.000000   -0.000000    0.000000
   48.277817    0.000150    0.000150    0.000150   -0.000000   -0.000000    0.000000
   48.948343    0.000260    0.000260    0.000260   -0.000000   -0.000000    0.000000
   49.618868    0.001365    0.001365    0.001365   -0.000000   -0.000000    0.000000
   50.289393    0.004184    0.004184    0.004184   -0.000000   -0.000000   -0.000000
   50.959918    0.008343    0.008343    0.008343    0.000000    0.000000   -0.000000
   51.630444    0.013377    0.013377    0.013377    0.000000    0.000000    0.000000
   52.300969    0.020570    0.020570    0.020570    0.000000    0.000000    0.000000
   52.971494    0.012759    0.012759    0.012759   -0.000000   -0.000000    0.000000
   53.642019    0.002032    0.002032    0.002032    0.000000    0.000000    0.000000
   54.312545    0.003606    0.003606    0.003606   -0.000000   -0.000000    0.000000
   54.983070    0.002588    0.002588    0.002588    0.000000    0.000000   -0.000000
   55.653595    0.000742    0.000742    0.000742   -0.000000    0.000000    0.000000
   56.324120    0.000140    0.000140    0.000140   -0.000000   -0.000000   -0.000000
   56.994645    0.000080    0.000080    0.000080   -0.000000   -0.000000   -0.000000
   57.665171    0.000055    0.000055    0.000055   -0.000000   -0.000000   -0.000000
   58.335696    0.000040    0.000040    0.000040   -0.000000   -0.000000   -0.000000
   59.006221    0.000031    0.000031    0.000031   -0.000000   -0.000000   -0.000000
   59.676746    0.000024    0.000024    0.000024   -0.000000   -0.000000   -0.000000
   60.347272    0.000020    0.000020    0.000020   -0.000000   -0.000000   -0.000000
   61.017797    0.000016    0.000016    0.000016   -0.000000   -0.000000   -0.000000
   61.688322    0.000013    0.000013    0.000013   -0.000000   -0.000000   -0.000000
   62.358847    0.000011    0.000011    0.000011   -0.000000   -0.000000   -0.000000
   63.029373    0.000010    0.000010    0.000010   -0.000000   -0.000000   -0.000000
   63.699898    0.000008    0.000008    0.000008   -0.000000   -0.000000   -0.000000
   64.370423    0.000007    0.000007    0.000007   -0.000000   -0.000000   -0.000000
   65.040948    0.000006    0.000006    0.000006   -0.000000   -0.000000   -0.000000
   65.711474    0.000006    0.000006    0.000006   -0.000000   -0.000000   -0.000000
   66.381999    0.000005    0.000005    0.000005   -0.000000   -0.000000   -0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    1.202332    1.202332    1.202332   -0.000000   -0.000000    0.000000
    0.670525    1.266357    1.266357    1.266357   -0.000000   -0.000000    0.000000
    1.341050    1.055542    1.055542    1.055542   -0.000000   -0.000000    0.000000
    2.011576    0.870584    0.870584    0.870584    0.000000    0.000000   -0.000000
    2.682101    0.902027    0.902027    0.902027    0.000000    0.000000    0.000000
    3.352626    0.934643    0.934643    0.934643    0.000000    0.000000   -0.000000
    4.023151    0.959083    0.959083    0.959083    0.000000    0.000000   -0.000000
    4.693677    0.975023    0.975023    0.975023    0.000000    0.000000   -0.000000
    5.364202    0.978589    0.978589    0.978589    0.000000    0.000000   -0.000000
    6.034727    0.983415    0.983415    0.983415    0.000000    0.000000   -0.000000
    6.705252    0.987509    0.987509    0.987509    0.000000    0.000000   -0.000000
    7.375778    0.990125    0.990125    0.990125    0.000000    0.000000   -0.000000
    8.046303    0.991981    0.991981    0.991981    0.000000    0.000000   -0.000000
    8.716828    0.993364    0.993364    0.993364    0.000000    0.000000   -0.000000
    9.387353    0.994432    0.994432    0.994432    0.000000    0.000000   -0.000000
   10.057879    0.995277    0.995277    0.995277    0.000000    0.000000   -0.000000
   10.728404    0.995958    0.995958    0.995958    0.000000    0.000000   -0.000000
   11.398929    0.996517    0.996517    0.996517    0.000000    0.000000   -0.000000
   12.069454    0.996981    0.996981    0.996981    0.000000    0.000000   -0.000000
   12.739980    0.997372    0.997372    0.997372    0.000000    0.000000   -0.000000
   13.410505    0.997704    0.997704    0.997704    0.000000    0.000000   -0.000000
   14.081030    0.997990    0.997990    0.997990    0.000000    0.000000   -0.000000
   14.751555    0.998237    0.998237    0.998237    0.000000    0.000000   -0.000000
   15.422081    0.998452    0.998452    0.998452    0.000000    0.000000   -0.000000
   16.092606    0.998642    0.998642    0.998642    0.000000    0.000000   -0.000000
   16.763131    0.998810    0.998810    0.998810    0.000000    0.000000   -0.000000
   17.433656    0.998959    0.998959    0.998959    0.000000    0.000000   -0.000000
   18.104182    0.999093    0.999093    0.999093    0.000000    0.000000   -0.000000
   18.774707    0.999214    0.999214    0.999214    0.000000    0.000000   -0.000000
   19.445232    0.999323    0.999323    0.999323    0.000000    0.000000   -0.000000
   20.115757    0.999423    0.999423    0.999423    0.000000    0.000000   -0.000000
   20.786282    0.999514    0.999514    0.999514    0.000000    0.000000   -0.000000
   21.456808    0.999599    0.999599    0.999599    0.000000    0.000000    0.000000
   22.127333    0.999676    0.999676    0.999676    0.000000    0.000000    0.000000
   22.797858    0.999749    0.999749    0.999749    0.000000    0.000000    0.000000
   23.468383    0.999816    0.999816    0.999816    0.000000    0.000000    0.000000
   24.138909    0.999880    0.999880    0.999880    0.000000    0.000000    0.000000
   24.809434    0.999940    0.999940    0.999940    0.000000    0.000000    0.000000
   25.479959    0.999997    0.999997    0.999997    0.000000    0.000000    0.000000
   26.150484    1.000051    1.000051    1.000051    0.000000    0.000000    0.000000
   26.821010    1.000103    1.000103    1.000103    0.000000    0.000000    0.000000
   27.491535    1.000154    1.000154    1.000154    0.000000    0.000000    0.000000
   28.162060    1.000202    1.000202    1.000202    0.000000    0.000000    0.000000
   28.832585    1.000250    1.000250    1.000250    0.000000    0.000000    0.000000
   29.503111    1.000297    1.000297    1.000297    0.000000    0.000000    0.000000
   30.173636    1.000343    1.000343    1.000343    0.000000    0.000000    0.000000
   30.844161    1.000389    1.000389    1.000389    0.000000    0.000000    0.000000
   31.514686    1.000434    1.000434    1.000434    0.000000    0.000000    0.000000
   32.185212    1.000480    1.000480    1.000480    0.000000    0.000000    0.000000
   32.855737    1.000527    1.000527    1.000527    0.000000    0.000000    0.000000
   33.526262    1.000574    1.000574    1.000574    0.000000    0.000000    0.000000
   34.196787    1.000622    1.000622    1.000622    0.000000    0.000000    0.000000
   34.867313    1.000672    1.000672    1.000672    0.000000    0.000000    0.000000
   35.537838    1.000724    1.000724    1.000724    0.000000    0.000000    0.000000
   36.208363    1.000777    1.000777    1.000777    0.000000    0.000000    0.000000
   36.878888    1.000834    1.000834    1.000834    0.000000    0.000000    0.000000
   37.549413    1.000894    1.000894    1.000894   -0.000000    0.000000    0.000000
   38.219939    1.000958    1.000958    1.000958   -0.000000    0.000000    0.000000
   38.890464    1.001027    1.001027    1.001027   -0.000000    0.000000    0.000000
   39.560989    1.001101    1.001101    1.001101   -0.000000    0.000000    0.000000
   40.231514    1.001182    1.001182    1.001182   -0.000000    0.000000    0.000000
   40.902040    1.001271    1.001271    1.001271   -0.000000    0.000000    0.000000
   41.572565    1.001370    1.001370    1.001370   -0.000000    0.000000    0.000000
   42.243090    1.001481    1.001481    1.001481   -0.000000    0.000000    0.000000
   42.913615    1.001607    1.001607    1.001607   -0.000000    0.000000    0.000000
   43.584141    1.001751    1.001751    1.001751   -0.000000    0.000000    0.000000
   44.254666    1.001920    1.001920    1.001920   -0.000000    0.000000    0.000000
   44.925191    1.002119    1.002119    1.002119   -0.000000   -0.000000    0.000000
   45.595716    1.002360    1.002360    1.002360   -0.000000   -0.000000    0.000000
   46.266242    1.002658    1.002658    1.002658   -0.000000   -0.000000    0.000000
   46.936767    1.003038    1.003038    1.003038   -0.000000   -0.000000    0.000000
   47.607292    1.003546    1.003546    1.003546   -0.000000   -0.000000    0.000000
   48.277817    1.004269    1.004269    1.004269   -0.000000   -0.000000    0.000000
   48.948343    1.005435    1.005435    1.005435   -0.000000   -0.000000    0.000000
   49.618868    1.007282    1.007282    1.007282   -0.000000   -0.000000    0.000000
   50.289393    1.010370    1.010370    1.010370   -0.000000    0.000000    0.000000
   50.959918    1.009604    1.009604    1.009604   -0.000000    0.000000    0.000000
   51.630444    1.007961    1.007961    1.007961   -0.000000    0.000000    0.000000
   52.300969    1.002936    1.002936    1.002936   -0.000000   -0.000000    0.000000
   52.971494    0.980253    0.980253    0.980253    0.000000    0.000000   -0.000000
   53.642019    0.991767    0.991767    0.991767    0.000000    0.000000   -0.000000
   54.312545    0.993495    0.993495    0.993495    0.000000    0.000000   -0.000000
   54.983070    0.993242    0.993242    0.993242   -0.000000   -0.000000   -0.000000
   55.653595    0.994054    0.994054    0.994054    0.000000    0.000000   -0.000000
   56.324120    0.995576    0.995576    0.995576    0.000000    0.000000   -0.000000
   56.994645    0.996371    0.996371    0.996371    0.000000    0.000000   -0.000000
   57.665171    0.996893    0.996893    0.996893    0.000000    0.000000   -0.000000
   58.335696    0.997274    0.997274    0.997274    0.000000    0.000000   -0.000000
   59.006221    0.997568    0.997568    0.997568    0.000000    0.000000   -0.000000
   59.676746    0.997803    0.997803    0.997803    0.000000    0.000000   -0.000000
   60.347272    0.997996    0.997996    0.997996    0.000000    0.000000   -0.000000
   61.017797    0.998158    0.998158    0.998158    0.000000    0.000000   -0.000000
   61.688322    0.998295    0.998295    0.998295    0.000000    0.000000   -0.000000
   62.358847    0.998414    0.998414    0.998414    0.000000    0.000000   -0.000000
   63.029373    0.998518    0.998518    0.998518    0.000000    0.000000   -0.000000
   63.699898    0.998609    0.998609    0.998609    0.000000    0.000000   -0.000000
   64.370423    0.998690    0.998690    0.998690    0.000000    0.000000   -0.000000
   65.040948    0.998762    0.998762    0.998762    0.000000    0.000000   -0.000000
   65.711474    0.998827    0.998827    0.998827    0.000000    0.000000   -0.000000
   66.381999    0.998886    0.998886    0.998886    0.000000    0.000000   -0.000000

 The outermost node in the dielectric function lies at epsilon=  -1.0


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


    OPTICS:  cpu time   17.0227: real time   17.5480
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0   350602. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      84303. kBytes
   fftplans  :      16986. kBytes
   grid      :      16898. kBytes
   one-center:          2. kBytes
   wavefun   :     202413. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1012.014
                            User time (sec):     1005.045
                          System time (sec):        6.969
                         Elapsed time (sec):     1093.086
  
                   Maximum memory used (kb):      916532.
                   Average memory used (kb):           0.
  
                          Minor page faults:       421354
                          Major page faults:          322
                 Voluntary context switches:         1131
