 vasp.6.2.1 16May21 (build Jul 28 2021 23:24:15) complex                        
  
 executed on      IFC19_CrayMPICH date 2021.12.07  16:55:31
 running   16 mpi-ranks, with    8 threads/rank
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   1 cores,   16 groups


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


 INCAR:
   ALGO = Exact
   CSHIFT = 0.1
   EDIFF = 1e-05
   EDIFFG = -0.05
   ENAUG = 1360.0
   ENCUT = 680.0
   GGA = Ps
   IBRION = -1
   ISIF = 3
   ISMEAR = -5
   ISPIN = 2
   KSPACING = 0.22
   LAECHG = True
   LASPH = True
   LCHARG = True
   LELF = True
   LMIXTAU = True
   LOPTICS = True
   LORBIT = 11
   LREAL = Auto
   LVHAR = True
   LVTOT = True
   LWAVE = True
   MAGMOM = 2*0.0
   METAGGA = None
   NBANDS = 48
   NEDOS = 2001
   NELM = 200
   NSW = 0
   PREC = Accurate
   SIGMA = 0.2

 POTCAR:   PAW_PBE Si 05Jan2001                   
 POTCAR:   PAW_PBE Si 05Jan2001                   
   VRHFIN =Si: s2p2                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =   103.0669 eV,    7.5752 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Si 05Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)                               
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  322.069                                                                                
   DEXC   =    -.007                                                                                
   RMAX   =    2.944    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.993    radius for radial grids                                                     
   QCUT   =   -4.246; QGAM   =    8.493    optimization parameters                                  
                                                                                                    
   Description                                                                                      
     l     E      TYP  RCUT    TYP  RCUT                                                            
     0   .000     23  1.900                                                                         
     0   .000     23  1.900                                                                         
     1   .000     23  1.900                                                                         
     1   .000     23  1.900                                                                         
     2   .000      7  1.900                                                                         
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have a (more or less) 'small supercell' and for smaller cells       |
|     it is recommended to use the reciprocal-space projection scheme!        |
|     The real-space optimization is not efficient for small cells and it     |
|     is also less accurate ...                                               |
|     Therefore, set LREAL=.FALSE. in the INCAR file.                         |
|                                                                             |
 -----------------------------------------------------------------------------

 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 19.84
 optimisation between [QCUT,QGAM] = [ 13.29, 26.59] = [ 49.49,197.96] Ry 
 Optimized for a Real-space Cutoff    1.12 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    13.294     8.708    0.13E-04    0.27E-05    0.49E-08
   0      9    13.294   106.241    0.22E-03    0.87E-04    0.52E-07
   1      8    13.294     5.901    0.77E-05    0.26E-04    0.14E-07
   1      8    13.294    73.241    0.79E-04    0.17E-03    0.12E-06
 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You enforced a specific xc type in the INCAR file but a different       |
|     type was found in the POTCAR file.                                      |
|     I HOPE YOU KNOW WHAT YOU ARE DOING!                                     |
|                                                                             |
 -----------------------------------------------------------------------------

 PAW_PBE Si 05Jan2001                   :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.0003 (will be added to EATOM!!)
 
 
 POSCAR: Si2
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =       14
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.250  0.250  0.250-   2 2.35   2 2.35   2 2.35   2 2.35
   2  0.000  0.000  0.000-   1 2.35   1 2.35   1 2.35   1 2.35
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.4358040000
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.7179020000,   2.7179020000)
 A2 = (   2.7179020000,   0.0000000000,   2.7179020000)
 A3 = (   2.7179020000,   2.7179020000,   0.0000000000)


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

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


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is 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 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is 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 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The overall configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations


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

                                     Primitive cell                                     

  volume of cell :      40.1542

  direct lattice vectors                    reciprocal lattice vectors
     0.000000000  2.717902000  2.717902000    -0.183965426  0.183965426  0.183965426
     2.717902000  0.000000000  2.717902000     0.183965426 -0.183965426  0.183965426
     2.717902000  2.717902000  0.000000000     0.183965426  0.183965426 -0.183965426

  length of vectors
     3.843693870  3.843693870  3.843693870     0.318637465  0.318637465  0.318637465

  position of ions in fractional coordinates (direct lattice)
     0.250000000  0.250000000  0.250000000
     0.000000000  0.000000000  0.000000000

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2

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

 
 
 KPOINTS: pymatgen with grid density = 4942 / numb

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   13   13   13

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
    -0.014151187  0.014151187  0.014151187     0.076923077  0.000000000 -0.000000000
     0.014151187 -0.014151187  0.014151187     0.000000000  0.076923077  0.000000000
     0.014151187  0.014151187 -0.014151187    -0.000000000 -0.000000000  0.076923077

  Length of vectors
     0.024510574  0.024510574  0.024510574

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 TETIRR: Found    322 inequivalent tetrahedra from    13182
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     84 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000 -0.000000      8.000000
  0.153846 -0.000000  0.000000      8.000000
  0.230769  0.000000 -0.000000      8.000000
  0.307692 -0.000000  0.000000      8.000000
  0.384615 -0.000000 -0.000000      8.000000
  0.461538 -0.000000 -0.000000      8.000000
  0.076923  0.076923 -0.000000      6.000000
  0.153846  0.076923 -0.000000     24.000000
  0.230769  0.076923 -0.000000     24.000000
  0.307692  0.076923 -0.000000     24.000000
  0.384615  0.076923  0.000000     24.000000
  0.461538  0.076923 -0.000000     24.000000
 -0.461538  0.076923 -0.000000     24.000000
 -0.384615  0.076923  0.000000     24.000000
 -0.307692  0.076923  0.000000     24.000000
 -0.230769  0.076923 -0.000000     24.000000
 -0.153846  0.076923 -0.000000     24.000000
 -0.076923  0.076923  0.000000     12.000000
  0.153846  0.153846 -0.000000      6.000000
  0.230769  0.153846 -0.000000     24.000000
  0.307692  0.153846 -0.000000     24.000000
  0.384615  0.153846 -0.000000     24.000000
  0.461538  0.153846 -0.000000     24.000000
 -0.461538  0.153846 -0.000000     24.000000
 -0.384615  0.153846  0.000000     24.000000
 -0.307692  0.153846  0.000000     24.000000
 -0.230769  0.153846 -0.000000     24.000000
 -0.153846  0.153846 -0.000000     12.000000
  0.230769  0.230769 -0.000000      6.000000
  0.307692  0.230769 -0.000000     24.000000
  0.384615  0.230769 -0.000000     24.000000
  0.461538  0.230769 -0.000000     24.000000
 -0.461538  0.230769 -0.000000     24.000000
 -0.384615  0.230769 -0.000000     24.000000
 -0.307692  0.230769 -0.000000     24.000000
 -0.230769  0.230769  0.000000     12.000000
  0.307692  0.307692 -0.000000      6.000000
  0.384615  0.307692 -0.000000     24.000000
  0.461538  0.307692 -0.000000     24.000000
 -0.461538  0.307692  0.000000     24.000000
 -0.384615  0.307692 -0.000000     24.000000
 -0.307692  0.307692 -0.000000     12.000000
  0.384615  0.384615 -0.000000      6.000000
  0.461538  0.384615 -0.000000     24.000000
 -0.461538  0.384615 -0.000000     24.000000
 -0.384615  0.384615 -0.000000     12.000000
  0.461538  0.461538 -0.000000      6.000000
 -0.461538  0.461538 -0.000000     12.000000
  0.230769  0.153846  0.076923     24.000000
  0.307692  0.153846  0.076923     48.000000
  0.384615  0.153846  0.076923     48.000000
  0.461538  0.153846  0.076923     48.000000
 -0.461538  0.153846  0.076923     48.000000
  0.307692  0.230769  0.076923     24.000000
  0.384615  0.230769  0.076923     48.000000
  0.461538  0.230769  0.076923     48.000000
 -0.461538  0.230769  0.076923     48.000000
 -0.384615  0.230769  0.076923     48.000000
 -0.307692  0.230769  0.076923     48.000000
 -0.230769  0.230769  0.076923     48.000000
 -0.153846  0.230769  0.076923     24.000000
  0.384615  0.307692  0.076923     24.000000
  0.461538  0.307692  0.076923     48.000000
 -0.461538  0.307692  0.076923     48.000000
 -0.384615  0.307692  0.076923     48.000000
 -0.307692  0.307692  0.076923     48.000000
 -0.230769  0.307692  0.076923     24.000000
  0.461538  0.384615  0.076923     24.000000
 -0.461538  0.384615  0.076923     48.000000
 -0.384615  0.384615  0.076923     48.000000
 -0.307692  0.384615  0.076923     24.000000
 -0.461538  0.461538  0.076923     24.000000
 -0.384615  0.461538  0.076923     24.000000
  0.461538  0.307692  0.153846     24.000000
 -0.461538  0.307692  0.153846     48.000000
 -0.384615  0.307692  0.153846     48.000000
 -0.461538  0.384615  0.153846     24.000000
 -0.384615  0.384615  0.153846     48.000000
 -0.307692  0.384615  0.153846     48.000000
 -0.230769  0.384615  0.153846     24.000000
 -0.384615  0.461538  0.153846     24.000000
 -0.307692  0.461538  0.153846     24.000000
 -0.307692  0.461538  0.230769     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 -0.014151  0.014151  0.014151      8.000000
 -0.028302  0.028302  0.028302      8.000000
 -0.042454  0.042454  0.042454      8.000000
 -0.056605  0.056605  0.056605      8.000000
 -0.070756  0.070756  0.070756      8.000000
 -0.084907  0.084907  0.084907      8.000000
 -0.000000 -0.000000  0.028302      6.000000
 -0.014151  0.014151  0.042454     24.000000
 -0.028302  0.028302  0.056605     24.000000
 -0.042454  0.042454  0.070756     24.000000
 -0.056605  0.056605  0.084907     24.000000
 -0.070756  0.070756  0.099058     24.000000
  0.099058 -0.099058 -0.070756     24.000000
  0.084907 -0.084907 -0.056605     24.000000
  0.070756 -0.070756 -0.042454     24.000000
  0.056605 -0.056605 -0.028302     24.000000
  0.042454 -0.042454 -0.014151     24.000000
  0.028302 -0.028302 -0.000000     12.000000
 -0.000000  0.000000  0.056605      6.000000
 -0.014151  0.014151  0.070756     24.000000
 -0.028302  0.028302  0.084907     24.000000
 -0.042454  0.042454  0.099058     24.000000
 -0.056605  0.056605  0.113209     24.000000
  0.113209 -0.113209 -0.056605     24.000000
  0.099058 -0.099058 -0.042454     24.000000
  0.084907 -0.084907 -0.028302     24.000000
  0.070756 -0.070756 -0.014151     24.000000
  0.056605 -0.056605  0.000000     12.000000
  0.000000 -0.000000  0.084907      6.000000
 -0.014151  0.014151  0.099058     24.000000
 -0.028302  0.028302  0.113209     24.000000
 -0.042454  0.042454  0.127361     24.000000
  0.127361 -0.127361 -0.042454     24.000000
  0.113209 -0.113209 -0.028302     24.000000
  0.099058 -0.099058 -0.014151     24.000000
  0.084907 -0.084907  0.000000     12.000000
 -0.000000  0.000000  0.113209      6.000000
 -0.014151  0.014151  0.127361     24.000000
 -0.028302  0.028302  0.141512     24.000000
  0.141512 -0.141512 -0.028302     24.000000
  0.127361 -0.127361 -0.014151     24.000000
  0.113209 -0.113209  0.000000     12.000000
  0.000000 -0.000000  0.141512      6.000000
 -0.014151  0.014151  0.155663     24.000000
  0.155663 -0.155663 -0.014151     24.000000
  0.141512 -0.141512  0.000000     12.000000
  0.000000 -0.000000  0.169814      6.000000
  0.169814 -0.169814  0.000000     12.000000
  0.000000  0.028302  0.056605     24.000000
 -0.014151  0.042454  0.070756     48.000000
 -0.028302  0.056605  0.084907     48.000000
 -0.042454  0.070756  0.099058     48.000000
  0.127361 -0.099058 -0.070756     48.000000
  0.000000  0.028302  0.084907     24.000000
 -0.014151  0.042454  0.099058     48.000000
 -0.028302  0.056605  0.113209     48.000000
  0.141512 -0.113209 -0.056605     48.000000
  0.127361 -0.099058 -0.042454     48.000000
  0.113209 -0.084907 -0.028302     48.000000
  0.099058 -0.070756 -0.014151     48.000000
  0.084907 -0.056605 -0.000000     24.000000
 -0.000000  0.028302  0.113209     24.000000
 -0.014151  0.042454  0.127361     48.000000
  0.155663 -0.127361 -0.042454     48.000000
  0.141512 -0.113209 -0.028302     48.000000
  0.127361 -0.099058 -0.014151     48.000000
  0.113209 -0.084907 -0.000000     24.000000
  0.000000  0.028302  0.141512     24.000000
  0.169814 -0.141512 -0.028302     48.000000
  0.155663 -0.127361 -0.014151     48.000000
  0.141512 -0.113209 -0.000000     24.000000
  0.183965 -0.155663 -0.014151     24.000000
  0.169814 -0.141512 -0.000000     24.000000
 -0.000000  0.056605  0.113209     24.000000
  0.169814 -0.113209 -0.056605     48.000000
  0.155663 -0.099058 -0.042454     48.000000
  0.183965 -0.127361 -0.042454     24.000000
  0.169814 -0.113209 -0.028302     48.000000
  0.155663 -0.099058 -0.014151     48.000000
  0.141512 -0.084907  0.000000     24.000000
  0.183965 -0.127361 -0.014151     24.000000
  0.169814 -0.113209 -0.000000     24.000000
  0.183965 -0.099058 -0.014151     24.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =     84   k-points in BZ     NKDIM =     84   number of bands    NBANDS=     48
   number of dos      NEDOS =   2001   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  46656
   max r-space proj   IRMAX =   6948   max aug-charges    IRDMAX=  39044
   dimension x,y,z NGX =    36 NGY =   36 NGZ =   36
   dimension x,y,z NGXF=    72 NGYF=   72 NGZF=   72
   support grid    NGXF=    72 NGYF=   72 NGZF=   72
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  15.57, 15.57, 15.57 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  31.14, 31.14, 31.14 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Si2                                     

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  680.0 eV  49.98 Ry    7.07 a.u.   8.17  8.17  8.17*2*pi/ulx,y,z
   ENINI  =  680.0     initial cutoff
   ENAUG  = 1360.0 eV  augmentation charge cutoff
   NELM   =    200;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      T    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   =   -0.00025
 Ionic relaxation
   EDIFFG = -.5E-01   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.338E-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 =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    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 =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     90    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 =  0.52E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      20.08       135.49
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.956154  1.806868 12.438852  0.914230
  Thomas-Fermi vector in A             =   2.085056
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      T    write LOCPOT, Hartree potential only
   LELF         =      T    write electronic localiz. function (ELF)
   LORBIT       =     11    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     =    PS    GGA type
   LEXCH   =    14    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

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



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


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Exact diagonalization
 preconditioned conjugated gradient (Jacobi prec)
    charged. constant during bandupdate  
    band-by band algorithm
 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           44
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      680.00
  volume of cell :       40.15
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.717902000  2.717902000    -0.183965426  0.183965426  0.183965426
     2.717902000  0.000000000  2.717902000     0.183965426 -0.183965426  0.183965426
     2.717902000  2.717902000  0.000000000     0.183965426  0.183965426 -0.183965426

  length of vectors
     3.843693870  3.843693870  3.843693870     0.318637465  0.318637465  0.318637465


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      680.00
  volume of cell :       40.15
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.717902000  2.717902000    -0.183965426  0.183965426  0.183965426
     2.717902000  0.000000000  2.717902000     0.183965426 -0.183965426  0.183965426
     2.717902000  2.717902000  0.000000000     0.183965426  0.183965426 -0.183965426

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: pymatgen with grid density = 4942 / numb
   0.00000000  0.00000000  0.00000000       0.000
  -0.01415119  0.01415119  0.01415119       0.004
  -0.02830237  0.02830237  0.02830237       0.004
  -0.04245356  0.04245356  0.04245356       0.004
  -0.05660475  0.05660475  0.05660475       0.004
  -0.07075593  0.07075593  0.07075593       0.004
  -0.08490712  0.08490712  0.08490712       0.004
  -0.00000000 -0.00000000  0.02830237       0.003
  -0.01415119  0.01415119  0.04245356       0.011
  -0.02830237  0.02830237  0.05660475       0.011
  -0.04245356  0.04245356  0.07075593       0.011
  -0.05660475  0.05660475  0.08490712       0.011
  -0.07075593  0.07075593  0.09905831       0.011
   0.09905831 -0.09905831 -0.07075593       0.011
   0.08490712 -0.08490712 -0.05660475       0.011
   0.07075593 -0.07075593 -0.04245356       0.011
   0.05660475 -0.05660475 -0.02830237       0.011
   0.04245356 -0.04245356 -0.01415119       0.011
   0.02830237 -0.02830237 -0.00000000       0.005
   0.00000000 -0.00000000  0.05660475       0.003
  -0.01415119  0.01415119  0.07075593       0.011
  -0.02830237  0.02830237  0.08490712       0.011
  -0.04245356  0.04245356  0.09905831       0.011
  -0.05660475  0.05660475  0.11320949       0.011
   0.11320949 -0.11320949 -0.05660475       0.011
   0.09905831 -0.09905831 -0.04245356       0.011
   0.08490712 -0.08490712 -0.02830237       0.011
   0.07075593 -0.07075593 -0.01415119       0.011
   0.05660475 -0.05660475  0.00000000       0.005
  -0.00000000  0.00000000  0.08490712       0.003
  -0.01415119  0.01415119  0.09905831       0.011
  -0.02830237  0.02830237  0.11320949       0.011
  -0.04245356  0.04245356  0.12736068       0.011
   0.12736068 -0.12736068 -0.04245356       0.011
   0.11320949 -0.11320949 -0.02830237       0.011
   0.09905831 -0.09905831 -0.01415119       0.011
   0.08490712 -0.08490712 -0.00000000       0.005
   0.00000000 -0.00000000  0.11320949       0.003
  -0.01415119  0.01415119  0.12736068       0.011
  -0.02830237  0.02830237  0.14151187       0.011
   0.14151187 -0.14151187 -0.02830237       0.011
   0.12736068 -0.12736068 -0.01415119       0.011
   0.11320949 -0.11320949  0.00000000       0.005
  -0.00000000  0.00000000  0.14151187       0.003
  -0.01415119  0.01415119  0.15566305       0.011
   0.15566305 -0.15566305 -0.01415119       0.011
   0.14151187 -0.14151187 -0.00000000       0.005
  -0.00000000  0.00000000  0.16981424       0.003
   0.16981424 -0.16981424 -0.00000000       0.005
  -0.00000000  0.02830237  0.05660475       0.011
  -0.01415119  0.04245356  0.07075593       0.022
  -0.02830237  0.05660475  0.08490712       0.022
  -0.04245356  0.07075593  0.09905831       0.022
   0.12736068 -0.09905831 -0.07075593       0.022
   0.00000000  0.02830237  0.08490712       0.011
  -0.01415119  0.04245356  0.09905831       0.022
  -0.02830237  0.05660475  0.11320949       0.022
   0.14151187 -0.11320949 -0.05660475       0.022
   0.12736068 -0.09905831 -0.04245356       0.022
   0.11320949 -0.08490712 -0.02830237       0.022
   0.09905831 -0.07075593 -0.01415119       0.022
   0.08490712 -0.05660475 -0.00000000       0.011
  -0.00000000  0.02830237  0.11320949       0.011
  -0.01415119  0.04245356  0.12736068       0.022
   0.15566305 -0.12736068 -0.04245356       0.022
   0.14151187 -0.11320949 -0.02830237       0.022
   0.12736068 -0.09905831 -0.01415119       0.022
   0.11320949 -0.08490712 -0.00000000       0.011
   0.00000000  0.02830237  0.14151187       0.011
   0.16981424 -0.14151187 -0.02830237       0.022
   0.15566305 -0.12736068 -0.01415119       0.022
   0.14151187 -0.11320949 -0.00000000       0.011
   0.18396543 -0.15566305 -0.01415119       0.011
   0.16981424 -0.14151187 -0.00000000       0.011
   0.00000000  0.05660475  0.11320949       0.011
   0.16981424 -0.11320949 -0.05660475       0.022
   0.15566305 -0.09905831 -0.04245356       0.022
   0.18396543 -0.12736068 -0.04245356       0.011
   0.16981424 -0.11320949 -0.02830237       0.022
   0.15566305 -0.09905831 -0.01415119       0.022
   0.14151187 -0.08490712 -0.00000000       0.011
   0.18396543 -0.12736068 -0.01415119       0.011
   0.16981424 -0.11320949 -0.00000000       0.011
   0.18396543 -0.09905831 -0.01415119       0.011
 
 k-points in reciprocal lattice and weights: pymatgen with grid density = 4942 / numb
   0.00000000  0.00000000  0.00000000       0.000
   0.07692308  0.00000000 -0.00000000       0.004
   0.15384615 -0.00000000  0.00000000       0.004
   0.23076923  0.00000000 -0.00000000       0.004
   0.30769231 -0.00000000  0.00000000       0.004
   0.38461538 -0.00000000 -0.00000000       0.004
   0.46153846 -0.00000000 -0.00000000       0.004
   0.07692308  0.07692308 -0.00000000       0.003
   0.15384615  0.07692308 -0.00000000       0.011
   0.23076923  0.07692308 -0.00000000       0.011
   0.30769231  0.07692308 -0.00000000       0.011
   0.38461538  0.07692308  0.00000000       0.011
   0.46153846  0.07692308 -0.00000000       0.011
  -0.46153846  0.07692308 -0.00000000       0.011
  -0.38461538  0.07692308  0.00000000       0.011
  -0.30769231  0.07692308  0.00000000       0.011
  -0.23076923  0.07692308 -0.00000000       0.011
  -0.15384615  0.07692308 -0.00000000       0.011
  -0.07692308  0.07692308  0.00000000       0.005
   0.15384615  0.15384615 -0.00000000       0.003
   0.23076923  0.15384615 -0.00000000       0.011
   0.30769231  0.15384615 -0.00000000       0.011
   0.38461538  0.15384615 -0.00000000       0.011
   0.46153846  0.15384615 -0.00000000       0.011
  -0.46153846  0.15384615 -0.00000000       0.011
  -0.38461538  0.15384615  0.00000000       0.011
  -0.30769231  0.15384615  0.00000000       0.011
  -0.23076923  0.15384615 -0.00000000       0.011
  -0.15384615  0.15384615 -0.00000000       0.005
   0.23076923  0.23076923 -0.00000000       0.003
   0.30769231  0.23076923 -0.00000000       0.011
   0.38461538  0.23076923 -0.00000000       0.011
   0.46153846  0.23076923 -0.00000000       0.011
  -0.46153846  0.23076923 -0.00000000       0.011
  -0.38461538  0.23076923 -0.00000000       0.011
  -0.30769231  0.23076923 -0.00000000       0.011
  -0.23076923  0.23076923  0.00000000       0.005
   0.30769231  0.30769231 -0.00000000       0.003
   0.38461538  0.30769231 -0.00000000       0.011
   0.46153846  0.30769231 -0.00000000       0.011
  -0.46153846  0.30769231  0.00000000       0.011
  -0.38461538  0.30769231 -0.00000000       0.011
  -0.30769231  0.30769231 -0.00000000       0.005
   0.38461538  0.38461538 -0.00000000       0.003
   0.46153846  0.38461538 -0.00000000       0.011
  -0.46153846  0.38461538 -0.00000000       0.011
  -0.38461538  0.38461538 -0.00000000       0.005
   0.46153846  0.46153846 -0.00000000       0.003
  -0.46153846  0.46153846 -0.00000000       0.005
   0.23076923  0.15384615  0.07692308       0.011
   0.30769231  0.15384615  0.07692308       0.022
   0.38461538  0.15384615  0.07692308       0.022
   0.46153846  0.15384615  0.07692308       0.022
  -0.46153846  0.15384615  0.07692308       0.022
   0.30769231  0.23076923  0.07692308       0.011
   0.38461538  0.23076923  0.07692308       0.022
   0.46153846  0.23076923  0.07692308       0.022
  -0.46153846  0.23076923  0.07692308       0.022
  -0.38461538  0.23076923  0.07692308       0.022
  -0.30769231  0.23076923  0.07692308       0.022
  -0.23076923  0.23076923  0.07692308       0.022
  -0.15384615  0.23076923  0.07692308       0.011
   0.38461538  0.30769231  0.07692308       0.011
   0.46153846  0.30769231  0.07692308       0.022
  -0.46153846  0.30769231  0.07692308       0.022
  -0.38461538  0.30769231  0.07692308       0.022
  -0.30769231  0.30769231  0.07692308       0.022
  -0.23076923  0.30769231  0.07692308       0.011
   0.46153846  0.38461538  0.07692308       0.011
  -0.46153846  0.38461538  0.07692308       0.022
  -0.38461538  0.38461538  0.07692308       0.022
  -0.30769231  0.38461538  0.07692308       0.011
  -0.46153846  0.46153846  0.07692308       0.011
  -0.38461538  0.46153846  0.07692308       0.011
   0.46153846  0.30769231  0.15384615       0.011
  -0.46153846  0.30769231  0.15384615       0.022
  -0.38461538  0.30769231  0.15384615       0.022
  -0.46153846  0.38461538  0.15384615       0.011
  -0.38461538  0.38461538  0.15384615       0.022
  -0.30769231  0.38461538  0.15384615       0.022
  -0.23076923  0.38461538  0.15384615       0.011
  -0.38461538  0.46153846  0.15384615       0.011
  -0.30769231  0.46153846  0.15384615       0.011
  -0.30769231  0.46153846  0.23076923       0.011
 
 position of ions in fractional coordinates (direct lattice) 
   0.25000000  0.25000000  0.25000000
   0.00000000  0.00000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   1.35895100  1.35895100  1.35895100
   0.00000000  0.00000000  0.00000000
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    1639
 k-point   2 :   0.0769 0.0000-0.0000  plane waves:    1630
 k-point   3 :   0.1538-0.0000 0.0000  plane waves:    1600
 k-point   4 :   0.2308 0.0000-0.0000  plane waves:    1612
 k-point   5 :   0.3077-0.0000 0.0000  plane waves:    1624
 k-point   6 :   0.3846-0.0000-0.0000  plane waves:    1619
 k-point   7 :   0.4615-0.0000-0.0000  plane waves:    1616
 k-point   8 :   0.0769 0.0769-0.0000  plane waves:    1615
 k-point   9 :   0.1538 0.0769-0.0000  plane waves:    1601
 k-point  10 :   0.2308 0.0769-0.0000  plane waves:    1613
 k-point  11 :   0.3077 0.0769-0.0000  plane waves:    1612
 k-point  12 :   0.3846 0.0769 0.0000  plane waves:    1623
 k-point  13 :   0.4615 0.0769-0.0000  plane waves:    1621
 k-point  14 :  -0.4615 0.0769-0.0000  plane waves:    1615
 k-point  15 :  -0.3846 0.0769 0.0000  plane waves:    1621
 k-point  16 :  -0.3077 0.0769 0.0000  plane waves:    1622
 k-point  17 :  -0.2308 0.0769-0.0000  plane waves:    1614
 k-point  18 :  -0.1538 0.0769-0.0000  plane waves:    1602
 k-point  19 :  -0.0769 0.0769 0.0000  plane waves:    1605
 k-point  20 :   0.1538 0.1538-0.0000  plane waves:    1615
 k-point  21 :   0.2308 0.1538-0.0000  plane waves:    1612
 k-point  22 :   0.3077 0.1538-0.0000  plane waves:    1619
 k-point  23 :   0.3846 0.1538-0.0000  plane waves:    1610
 k-point  24 :   0.4615 0.1538-0.0000  plane waves:    1611
 k-point  25 :  -0.4615 0.1538-0.0000  plane waves:    1602
 k-point  26 :  -0.3846 0.1538 0.0000  plane waves:    1616
 k-point  27 :  -0.3077 0.1538 0.0000  plane waves:    1616
 k-point  28 :  -0.2308 0.1538-0.0000  plane waves:    1612
 k-point  29 :  -0.1538 0.1538-0.0000  plane waves:    1608
 k-point  30 :   0.2308 0.2308-0.0000  plane waves:    1616
 k-point  31 :   0.3077 0.2308-0.0000  plane waves:    1613
 k-point  32 :   0.3846 0.2308-0.0000  plane waves:    1627
 k-point  33 :   0.4615 0.2308-0.0000  plane waves:    1620
 k-point  34 :  -0.4615 0.2308-0.0000  plane waves:    1611
 k-point  35 :  -0.3846 0.2308-0.0000  plane waves:    1611
 k-point  36 :  -0.3077 0.2308-0.0000  plane waves:    1610
 k-point  37 :  -0.2308 0.2308 0.0000  plane waves:    1620
 k-point  38 :   0.3077 0.3077-0.0000  plane waves:    1620
 k-point  39 :   0.3846 0.3077-0.0000  plane waves:    1625
 k-point  40 :   0.4615 0.3077-0.0000  plane waves:    1624
 k-point  41 :  -0.4615 0.3077 0.0000  plane waves:    1623
 k-point  42 :  -0.3846 0.3077-0.0000  plane waves:    1624
 k-point  43 :  -0.3077 0.3077-0.0000  plane waves:    1612
 k-point  44 :   0.3846 0.3846-0.0000  plane waves:    1624
 k-point  45 :   0.4615 0.3846-0.0000  plane waves:    1623
 k-point  46 :  -0.4615 0.3846-0.0000  plane waves:    1622
 k-point  47 :  -0.3846 0.3846-0.0000  plane waves:    1624
 k-point  48 :   0.4615 0.4615-0.0000  plane waves:    1608
 k-point  49 :  -0.4615 0.4615-0.0000  plane waves:    1618
 k-point  50 :   0.2308 0.1538 0.0769  plane waves:    1613
 k-point  51 :   0.3077 0.1538 0.0769  plane waves:    1611
 k-point  52 :   0.3846 0.1538 0.0769  plane waves:    1609
 k-point  53 :   0.4615 0.1538 0.0769  plane waves:    1615
 k-point  54 :  -0.4615 0.1538 0.0769  plane waves:    1610
 k-point  55 :   0.3077 0.2308 0.0769  plane waves:    1616
 k-point  56 :   0.3846 0.2308 0.0769  plane waves:    1624
 k-point  57 :   0.4615 0.2308 0.0769  plane waves:    1617
 k-point  58 :  -0.4615 0.2308 0.0769  plane waves:    1615
 k-point  59 :  -0.3846 0.2308 0.0769  plane waves:    1609
 k-point  60 :  -0.3077 0.2308 0.0769  plane waves:    1616
 k-point  61 :  -0.2308 0.2308 0.0769  plane waves:    1611
 k-point  62 :  -0.1538 0.2308 0.0769  plane waves:    1614
 k-point  63 :   0.3846 0.3077 0.0769  plane waves:    1627
 k-point  64 :   0.4615 0.3077 0.0769  plane waves:    1628
 k-point  65 :  -0.4615 0.3077 0.0769  plane waves:    1628
 k-point  66 :  -0.3846 0.3077 0.0769  plane waves:    1612
 k-point  67 :  -0.3077 0.3077 0.0769  plane waves:    1614
 k-point  68 :  -0.2308 0.3077 0.0769  plane waves:    1612
 k-point  69 :   0.4615 0.3846 0.0769  plane waves:    1630
 k-point  70 :  -0.4615 0.3846 0.0769  plane waves:    1624
 k-point  71 :  -0.3846 0.3846 0.0769  plane waves:    1626
 k-point  72 :  -0.3077 0.3846 0.0769  plane waves:    1620
 k-point  73 :  -0.4615 0.4615 0.0769  plane waves:    1626
 k-point  74 :  -0.3846 0.4615 0.0769  plane waves:    1626
 k-point  75 :   0.4615 0.3077 0.1538  plane waves:    1611
 k-point  76 :  -0.4615 0.3077 0.1538  plane waves:    1621
 k-point  77 :  -0.3846 0.3077 0.1538  plane waves:    1617
 k-point  78 :  -0.4615 0.3846 0.1538  plane waves:    1620
 k-point  79 :  -0.3846 0.3846 0.1538  plane waves:    1613
 k-point  80 :  -0.3077 0.3846 0.1538  plane waves:    1611
 k-point  81 :  -0.2308 0.3846 0.1538  plane waves:    1618
 k-point  82 :  -0.3846 0.4615 0.1538  plane waves:    1625
 k-point  83 :  -0.3077 0.4615 0.1538  plane waves:    1623
 k-point  84 :  -0.3077 0.4615 0.2308  plane waves:    1619

 maximum and minimum number of plane-waves per node :      1639     1600

 maximum number of plane-waves:      1639
 maximum index in each direction: 
   IXMAX=    8   IYMAX=    8   IZMAX=    8
   IXMIN=   -8   IYMIN=   -8   IZMIN=   -8


 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    50776. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :      13418. kBytes
 
     INWAV:  cpu time    3.9051: real time    2.8272
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 17   NGY = 17   NGZ = 17
  (NGX  = 72   NGY  = 72   NGZ  = 72)
  gives a total of   4913 points

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


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


 Maximum index for non-local projection operator         1080
 Maximum index for augmentation-charges         2980 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.518
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.1749: real time    0.0239


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


    POTLOK:  cpu time    0.7699: real time    0.1290
    SETDIJ:  cpu time    1.9480: real time    0.6795

 total amount of memory used by VASP MPI-rank0   511477. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :     474119. kBytes
 
    EDDIAG:  cpu time 4376.1925: real time  687.3928
 BZINTS: Fermi energy:    5.390239;    8.000000 electrons
         Band energy: 0.311031E+01;  BLOECHL correction:   -0.000000
       DOS:  cpu time    0.4025: real time    0.1279
    CHARGE:  cpu time    1.3295: real time    0.1741
    MIXING:  cpu time    0.0291: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time 4380.6724: real time  688.5071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1073617E+02  ( 0.0000000E+00)
 number of electron       8.0000000 magnetization      -0.0000000
 augmentation part       -0.4685937 magnetization      -0.0000009

 Broyden mixing:
  rms(total) = 0.12338E+00    rms(broyden)= 0.12338E+00
  rms(prec ) = 0.43981E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.35337749
  Ewald energy   TEWEN  =      -228.31947958
  -Hartree energ DENC   =       -12.24360292
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.15757320
  PAW double counting   =        66.42081650      -31.89528500
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         3.11030996
  atomic energy  EATOM  =       205.99526524
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.73617152 eV

  energy without entropy =      -10.73617152  energy(sigma->0) =      -10.73617152


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




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


    POTLOK:  cpu time    1.5121: real time    0.1907
    SETDIJ:  cpu time    1.9830: real time    0.6835

 total amount of memory used by VASP MPI-rank0   511477. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :     474119. kBytes
 
    EDDIAG:  cpu time 4368.1184: real time  683.8887
 BZINTS: Fermi energy:    5.556407;    8.000000 electrons
         Band energy: 0.415523E+01;  BLOECHL correction:    0.000000
       DOS:  cpu time    0.5815: real time    0.1155
    CHARGE:  cpu time    1.2018: real time    0.1577
    MIXING:  cpu time    0.0280: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time 4373.4247: real time  685.0395

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6179764E-01  ( 0.0000000E+00)
 number of electron       8.0000000 magnetization       0.0000000
 augmentation part       -0.4636599 magnetization       0.0000003

 Broyden mixing:
  rms(total) = 0.66614E-01    rms(broyden)= 0.66614E-01
  rms(prec ) = 0.24085E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1436
  2.1436

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.35337749
  Ewald energy   TEWEN  =      -228.31947958
  -Hartree energ DENC   =       -13.27252977
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.03450531
  PAW double counting   =        69.61227112      -35.16400332
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         4.15523024
  atomic energy  EATOM  =       205.99526524
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.67437388 eV

  energy without entropy =      -10.67437388  energy(sigma->0) =      -10.67437388


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




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


    POTLOK:  cpu time    1.0048: real time    0.1257
    SETDIJ:  cpu time    2.0047: real time    0.6852

 total amount of memory used by VASP MPI-rank0   511477. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :     474119. kBytes
 
    EDDIAG:  cpu time 4429.7041: real time  699.7117
 BZINTS: Fermi energy:    5.755991;    8.000000 electrons
         Band energy: 0.541954E+01;  BLOECHL correction:   -0.000000
       DOS:  cpu time    0.5277: real time    0.1143
    CHARGE:  cpu time    2.0459: real time    0.2683
    MIXING:  cpu time    0.0278: real time    0.0035
    --------------------------------------------
      LOOP:  cpu time 4435.3150: real time  700.9087

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2416437E-01  ( 0.0000000E+00)
 number of electron       8.0000000 magnetization      -0.0000000
 augmentation part       -0.4579776 magnetization      -0.0000006

 Broyden mixing:
  rms(total) = 0.68985E-02    rms(broyden)= 0.68985E-02
  rms(prec ) = 0.17965E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4419
  2.1373  2.7465

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.35337749
  Ewald energy   TEWEN  =      -228.31947958
  -Hartree energ DENC   =       -14.58208745
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.87444612
  PAW double counting   =        73.52916208      -39.17153902
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         5.41953784
  atomic energy  EATOM  =       205.99526524
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.65020952 eV

  energy without entropy =      -10.65020952  energy(sigma->0) =      -10.65020952


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




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


    POTLOK:  cpu time    1.1441: real time    0.1431
    SETDIJ:  cpu time    1.9478: real time    0.6801

 total amount of memory used by VASP MPI-rank0   511477. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :     474119. kBytes
 
    EDDIAG:  cpu time 4228.3675: real time  664.5037
 BZINTS: Fermi energy:    5.760986;    8.000000 electrons
         Band energy: 0.545768E+01;  BLOECHL correction:   -0.000000
       DOS:  cpu time    0.5973: real time    0.1139
    CHARGE:  cpu time    1.2484: real time    0.1639
    MIXING:  cpu time    0.0303: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time 4233.3354: real time  665.6086

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3091959E-03  ( 0.0000000E+00)
 number of electron       8.0000000 magnetization       0.0000000
 augmentation part       -0.4580541 magnetization       0.0000014

 Broyden mixing:
  rms(total) = 0.88384E-03    rms(broyden)= 0.88384E-03
  rms(prec ) = 0.21626E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2170
  2.8548  1.5864  2.2099

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.35337749
  Ewald energy   TEWEN  =      -228.31947958
  -Hartree energ DENC   =       -14.63872477
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.86240130
  PAW double counting   =        73.40197717      -39.03821792
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         5.45768495
  atomic energy  EATOM  =       205.99526524
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.65051871 eV

  energy without entropy =      -10.65051871  energy(sigma->0) =      -10.65051871


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




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


    POTLOK:  cpu time    0.8311: real time    0.1040
    SETDIJ:  cpu time    2.0086: real time    0.6868

 total amount of memory used by VASP MPI-rank0   511477. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :     474119. kBytes
 
    EDDIAG:  cpu time 4239.6115: real time  666.0932
 BZINTS: Fermi energy:    5.761232;    8.000000 electrons
         Band energy: 0.545728E+01;  BLOECHL correction:    0.000000
       DOS:  cpu time    0.6361: real time    0.1198
    --------------------------------------------
      LOOP:  cpu time 4243.0867: real time  667.0038

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5020554E-05  ( 0.0000000E+00)
 number of electron       8.0000000 magnetization       0.0000000
 augmentation part       -0.4580541 magnetization       0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.35337749
  Ewald energy   TEWEN  =      -228.31947958
  -Hartree energ DENC   =       -14.63940516
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.86209664
  PAW double counting   =        73.36985575      -39.00531905
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         5.45727822
  atomic energy  EATOM  =       205.99526524
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.65052373 eV

  energy without entropy =      -10.65052373  energy(sigma->0) =      -10.65052373


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




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.0704       2 -83.0704
 
 
 
 E-fermi :   5.7612     XC(G=0):  -9.5432     alpha+bet :-11.9462

 Fermi energy:         5.7612315414

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.2100      1.00000
      2       5.7611      1.00000
      3       5.7611      1.00000
      4       5.7611      1.00000
      5       8.2775      0.00000
      6       8.2775      0.00000
      7       8.2775      0.00000
      8       9.0523      0.00000
      9      13.4483      0.00000
     10      13.4483      0.00000
     11      13.4593      0.00000
     12      16.8493      0.00000
     13      16.8493      0.00000
     14      16.8493      0.00000
     15      20.8282      0.00000
     16      28.7278      0.00000
     17      28.7278      0.00000
     18      28.7278      0.00000
     19      29.8927      0.00000
     20      29.8927      0.00000
     21      31.4162      0.00000
     22      31.4162      0.00000
     23      31.4162      0.00000
     24      34.9209      0.00000
     25      34.9209      0.00000
     26      34.9209      0.00000
     27      40.4902      0.00000
     28      40.4902      0.00000
     29      40.4902      0.00000
     30      43.7994      0.00000
     31      44.2947      0.00000
     32      44.2947      0.00000
     33      46.2317      0.00000
     34      46.2317      0.00000
     35      47.8096      0.00000
     36      47.8096      0.00000
     37      47.8096      0.00000
     38      49.5536      0.00000
     39      49.5536      0.00000
     40      49.5536      0.00000
     41      50.1010      0.00000
     42      50.5520      0.00000
     43      50.5520      0.00000
     44      50.5520      0.00000
     45      50.6559      0.00000
     46      50.6559      0.00000
     47      50.6559      0.00000
     48      52.0233      0.00000

 k-point     2 :       0.0769    0.0000   -0.0000
  band No.  band energies     occupation 
      1      -6.1323      1.00000
      2       4.9992      1.00000
      3       5.6354      1.00000
      4       5.6354      1.00000
      5       8.3224      0.00000
      6       8.4617      0.00000
      7       8.4617      0.00000
      8       9.6290      0.00000
      9      13.2005      0.00000
     10      13.2005      0.00000
     11      13.7991      0.00000
     12      16.5532      0.00000
     13      17.3506      0.00000
     14      17.3506      0.00000
     15      21.3648      0.00000
     16      27.9015      0.00000
     17      27.9015      0.00000
     18      27.9168      0.00000
     19      29.5588      0.00000
     20      29.5588      0.00000
     21      31.7553      0.00000
     22      31.7553      0.00000
     23      32.1129      0.00000
     24      34.9919      0.00000
     25      35.8897      0.00000
     26      35.8897      0.00000
     27      39.4182      0.00000
     28      40.2793      0.00000
     29      40.2793      0.00000
     30      43.5366      0.00000
     31      43.5366      0.00000
     32      44.1120      0.00000
     33      45.2403      0.00000
     34      45.2403      0.00000
     35      47.7113      0.00000
     36      47.7113      0.00000
     37      47.9311      0.00000
     38      48.9510      0.00000
     39      49.0604      0.00000
     40      49.4018      0.00000
     41      49.4018      0.00000
     42      50.1186      0.00000
     43      50.1186      0.00000
     44      50.2514      0.00000
     45      51.3230      0.00000
     46      51.7376      0.00000
     47      51.7376      0.00000
     48      53.6715      0.00000

 k-point     3 :       0.1538   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9013      1.00000
      2       3.6070      1.00000
      3       5.3576      1.00000
      4       5.3576      1.00000
      5       8.0925      0.00000
      6       8.8607      0.00000
      7       8.8607      0.00000
      8      10.9129      0.00000
      9      12.8234      0.00000
     10      12.8234      0.00000
     11      14.5337      0.00000
     12      16.1951      0.00000
     13      18.5282      0.00000
     14      18.5282      0.00000
     15      22.6028      0.00000
     16      25.9571      0.00000
     17      25.9571      0.00000
     18      26.4582      0.00000
     19      29.5514      0.00000
     20      29.5514      0.00000
     21      32.0441      0.00000
     22      32.0441      0.00000
     23      33.2560      0.00000
     24      35.2008      0.00000
     25      37.2131      0.00000
     26      37.8161      0.00000
     27      37.8161      0.00000
     28      39.7284      0.00000
     29      39.7284      0.00000
     30      41.5549      0.00000
     31      41.5549      0.00000
     32      43.8273      0.00000
     33      43.8273      0.00000
     34      44.4795      0.00000
     35      46.9073      0.00000
     36      47.1381      0.00000
     37      47.2897      0.00000
     38      47.2897      0.00000
     39      49.0990      0.00000
     40      49.5795      0.00000
     41      49.5795      0.00000
     42      49.8303      0.00000
     43      50.8339      0.00000
     44      50.8339      0.00000
     45      51.0709      0.00000
     46      53.4721      0.00000
     47      53.6173      0.00000
     48      53.6173      0.00000

 k-point     4 :       0.2308    0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.5242      1.00000
      2       2.1634      1.00000
      3       5.0643      1.00000
      4       5.0643      1.00000
      5       7.7855      0.00000
      6       9.1784      0.00000
      7       9.1784      0.00000
      8      12.2666      0.00000
      9      12.8048      0.00000
     10      12.8048      0.00000
     11      14.6061      0.00000
     12      17.0265      0.00000
     13      19.9638      0.00000
     14      19.9638      0.00000
     15      23.6740      0.00000
     16      23.9410      0.00000
     17      23.9410      0.00000
     18      25.4473      0.00000
     19      29.6702      0.00000
     20      29.6702      0.00000
     21      32.2613      0.00000
     22      32.2613      0.00000
     23      33.8582      0.00000
     24      35.1208      0.00000
     25      35.5318      0.00000
     26      37.9871      0.00000
     27      37.9871      0.00000
     28      39.2778      0.00000
     29      39.2778      0.00000
     30      40.0736      0.00000
     31      40.0736      0.00000
     32      43.5998      0.00000
     33      43.5998      0.00000
     34      44.3454      0.00000
     35      44.6962      0.00000
     36      45.4101      0.00000
     37      46.9273      0.00000
     38      46.9273      0.00000
     39      49.2057      0.00000
     40      49.5420      0.00000
     41      49.5420      0.00000
     42      49.7775      0.00000
     43      50.1062      0.00000
     44      52.2866      0.00000
     45      52.2866      0.00000
     46      55.0312      0.00000
     47      55.0312      0.00000
     48      55.7948      0.00000

 k-point     5 :       0.3077   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0195      1.00000
      2       0.8160      1.00000
      3       4.8220      1.00000
      4       4.8220      1.00000
      5       7.5165      0.00000
      6       9.2354      0.00000
      7       9.2354      0.00000
      8      13.3371      0.00000
      9      13.3743      0.00000
     10      13.3743      0.00000
     11      14.5044      0.00000
     12      18.6732      0.00000
     13      20.6586      0.00000
     14      20.6586      0.00000
     15      22.8099      0.00000
     16      22.9618      0.00000
     17      22.9618      0.00000
     18      26.7452      0.00000
     19      29.7391      0.00000
     20      29.7391      0.00000
     21      31.7280      0.00000
     22      32.4387      0.00000
     23      32.4387      0.00000
     24      35.3815      0.00000
     25      35.7368      0.00000
     26      35.7368      0.00000
     27      35.9493      0.00000
     28      38.5884      0.00000
     29      38.5884      0.00000
     30      39.7441      0.00000
     31      39.7441      0.00000
     32      42.0188      0.00000
     33      43.8468      0.00000
     34      43.9384      0.00000
     35      45.3084      0.00000
     36      45.3084      0.00000
     37      46.7413      0.00000
     38      46.7413      0.00000
     39      48.7409      0.00000
     40      49.4629      0.00000
     41      49.4629      0.00000
     42      49.7225      0.00000
     43      51.1148      0.00000
     44      53.6654      0.00000
     45      53.6654      0.00000
     46      55.7567      0.00000
     47      55.7567      0.00000
     48      57.5614      0.00000

 k-point     6 :       0.3846   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4384      1.00000
      2      -0.3414      1.00000
      3       4.6550      1.00000
      4       4.6550      1.00000
      5       7.3261      0.00000
      6       9.1364      0.00000
      7       9.1364      0.00000
      8      13.4241      0.00000
      9      14.4339      0.00000
     10      14.4339      0.00000
     11      15.4613      0.00000
     12      19.2394      0.00000
     13      19.2394      0.00000
     14      19.6913      0.00000
     15      22.3916      0.00000
     16      24.3955      0.00000
     17      24.3955      0.00000
     18      28.6490      0.00000
     19      29.2542      0.00000
     20      29.4534      0.00000
     21      29.4534      0.00000
     22      32.4597      0.00000
     23      32.4597      0.00000
     24      33.8074      0.00000
     25      33.8074      0.00000
     26      35.3608      0.00000
     27      36.3775      0.00000
     28      38.1346      0.00000
     29      38.1346      0.00000
     30      39.0713      0.00000
     31      39.0713      0.00000
     32      40.1162      0.00000
     33      42.8055      0.00000
     34      43.0256      0.00000
     35      46.4201      0.00000
     36      46.4201      0.00000
     37      47.6305      0.00000
     38      47.6305      0.00000
     39      48.4989      0.00000
     40      49.5564      0.00000
     41      49.8515      0.00000
     42      49.8515      0.00000
     43      52.7990      0.00000
     44      54.5179      0.00000
     45      54.5179      0.00000
     46      57.0641      0.00000
     47      57.0641      0.00000
     48      58.6673      0.00000

 k-point     7 :       0.4615   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.9503      1.00000
      2      -1.1212      1.00000
      3       4.5707      1.00000
      4       4.5707      1.00000
      5       7.2286      0.00000
      6       9.0482      0.00000
      7       9.0482      0.00000
      8      13.2908      0.00000
      9      15.7746      0.00000
     10      15.7746      0.00000
     11      16.6765      0.00000
     12      17.5573      0.00000
     13      17.5573      0.00000
     14      18.9198      0.00000
     15      24.0963      0.00000
     16      26.3700      0.00000
     17      26.3700      0.00000
     18      26.5503      0.00000
     19      28.2765      0.00000
     20      28.2765      0.00000
     21      30.7715      0.00000
     22      32.1469      0.00000
     23      32.1469      0.00000
     24      33.1605      0.00000
     25      33.1605      0.00000
     26      34.2156      0.00000
     27      36.6734      0.00000
     28      37.9651      0.00000
     29      37.9651      0.00000
     30      38.5759      0.00000
     31      38.5759      0.00000
     32      39.5324      0.00000
     33      42.1568      0.00000
     34      42.4038      0.00000
     35      46.4183      0.00000
     36      46.4183      0.00000
     37      48.2432      0.00000
     38      48.2432      0.00000
     39      48.4012      0.00000
     40      49.4537      0.00000
     41      51.6596      0.00000
     42      51.6596      0.00000
     43      54.3227      0.00000
     44      54.3227      0.00000
     45      54.4584      0.00000
     46      58.0945      0.00000
     47      58.0945      0.00000
     48      58.3946      0.00000

 k-point     8 :       0.0769    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -6.1063      1.00000
      2       5.1514      1.00000
      3       5.3795      1.00000
      4       5.3795      1.00000
      5       8.0293      0.00000
      6       8.7856      0.00000
      7       8.7856      0.00000
      8       9.6218      0.00000
      9      12.7442      0.00000
     10      13.5627      0.00000
     11      13.9108      0.00000
     12      17.0308      0.00000
     13      17.0308      0.00000
     14      17.3220      0.00000
     15      21.5850      0.00000
     16      27.4980      0.00000
     17      27.4980      0.00000
     18      28.7803      0.00000
     19      28.8584      0.00000
     20      29.1525      0.00000
     21      31.8576      0.00000
     22      32.0941      0.00000
     23      32.0941      0.00000
     24      35.7033      0.00000
     25      35.7033      0.00000
     26      36.0899      0.00000
     27      39.7777      0.00000
     28      39.7777      0.00000
     29      39.7966      0.00000
     30      42.7745      0.00000
     31      43.9508      0.00000
     32      44.0453      0.00000
     33      44.8184      0.00000
     34      46.1081      0.00000
     35      47.6621      0.00000
     36      47.6900      0.00000
     37      47.6900      0.00000
     38      48.0716      0.00000
     39      48.0716      0.00000
     40      49.1915      0.00000
     41      49.1915      0.00000
     42      49.8977      0.00000
     43      51.1289      0.00000
     44      51.6139      0.00000
     45      51.8792      0.00000
     46      51.8792      0.00000
     47      52.2483      0.00000
     48      52.5459      0.00000

 k-point     9 :       0.1538    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.9260      1.00000
      2       4.0235      1.00000
      3       5.0444      1.00000
      4       5.2349      1.00000
      5       8.0360      0.00000
      6       8.8693      0.00000
      7       9.2747      0.00000
      8      10.4849      0.00000
      9      12.3429      0.00000
     10      13.4879      0.00000
     11      14.5720      0.00000
     12      16.6409      0.00000
     13      17.6785      0.00000
     14      18.4303      0.00000
     15      22.6398      0.00000
     16      25.8446      0.00000
     17      26.1001      0.00000
     18      28.0305      0.00000
     19      28.4072      0.00000
     20      28.9566      0.00000
     21      31.9554      0.00000
     22      32.4239      0.00000
     23      33.0919      0.00000
     24      36.0012      0.00000
     25      37.0720      0.00000
     26      37.8114      0.00000
     27      37.8888      0.00000
     28      38.9943      0.00000
     29      39.6959      0.00000
     30      41.1743      0.00000
     31      42.8043      0.00000
     32      42.9774      0.00000
     33      44.9206      0.00000
     34      44.9863      0.00000
     35      46.3437      0.00000
     36      46.6698      0.00000
     37      47.7327      0.00000
     38      48.0327      0.00000
     39      48.3327      0.00000
     40      49.0294      0.00000
     41      49.8410      0.00000
     42      50.2595      0.00000
     43      50.3024      0.00000
     44      51.6664      0.00000
     45      52.4148      0.00000
     46      52.5308      0.00000
     47      53.2910      0.00000
     48      53.8399      0.00000

 k-point    10 :       0.2308    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.5967      1.00000
      2       2.6271      1.00000
      3       4.7414      1.00000
      4       4.9501      1.00000
      5       8.1490      0.00000
      6       8.8579      0.00000
      7       9.6710      0.00000
      8      11.1009      0.00000
      9      12.7998      0.00000
     10      13.4504      0.00000
     11      15.0596      0.00000
     12      16.7943      0.00000
     13      18.9158      0.00000
     14      19.9284      0.00000
     15      23.7792      0.00000
     16      23.8062      0.00000
     17      24.5138      0.00000
     18      26.5833      0.00000
     19      28.4832      0.00000
     20      29.1106      0.00000
     21      31.9781      0.00000
     22      32.6813      0.00000
     23      34.0656      0.00000
     24      35.5721      0.00000
     25      36.2569      0.00000
     26      38.0366      0.00000
     27      38.2030      0.00000
     28      38.8669      0.00000
     29      39.3472      0.00000
     30      39.7988      0.00000
     31      41.0505      0.00000
     32      42.0610      0.00000
     33      44.0963      0.00000
     34      44.8284      0.00000
     35      45.6938      0.00000
     36      45.8206      0.00000
     37      45.8988      0.00000
     38      48.2114      0.00000
     39      48.6306      0.00000
     40      49.0158      0.00000
     41      49.7897      0.00000
     42      50.2383      0.00000
     43      50.8914      0.00000
     44      51.5143      0.00000
     45      52.6245      0.00000
     46      53.4096      0.00000
     47      54.5527      0.00000
     48      54.7819      0.00000

 k-point    11 :       0.3077    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.1316      1.00000
      2       1.2643      1.00000
      3       4.5197      1.00000
      4       4.6234      1.00000
      5       8.0080      0.00000
      6       8.9764      0.00000
      7       9.7671      0.00000
      8      11.5451      0.00000
      9      13.9026      0.00000
     10      13.9465      0.00000
     11      14.8251      0.00000
     12      18.1729      0.00000
     13      20.0041      0.00000
     14      21.1488      0.00000
     15      22.2359      0.00000
     16      22.8837      0.00000
     17      24.1446      0.00000
     18      26.6925      0.00000
     19      28.6335      0.00000
     20      29.3343      0.00000
     21      31.8648      0.00000
     22      32.4071      0.00000
     23      32.9282      0.00000
     24      35.5598      0.00000
     25      36.1648      0.00000
     26      36.3800      0.00000
     27      37.1392      0.00000
     28      37.7536      0.00000
     29      38.5226      0.00000
     30      39.3586      0.00000
     31      40.6815      0.00000
     32      42.9171      0.00000
     33      43.7474      0.00000
     34      43.9728      0.00000
     35      44.4815      0.00000
     36      45.1163      0.00000
     37      46.1961      0.00000
     38      47.9775      0.00000
     39      48.3229      0.00000
     40      48.9645      0.00000
     41      49.9753      0.00000
     42      50.4318      0.00000
     43      52.0457      0.00000
     44      52.6409      0.00000
     45      52.8493      0.00000
     46      54.6833      0.00000
     47      55.2348      0.00000
     48      56.5108      0.00000

 k-point    12 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.5663      1.00000
      2       0.0447      1.00000
      3       4.3347      1.00000
      4       4.3973      1.00000
      5       7.8268      0.00000
      6       8.9659      0.00000
      7       9.6212      0.00000
      8      12.3997      0.00000
      9      14.2807      0.00000
     10      14.8665      0.00000
     11      15.5409      0.00000
     12      19.0156      0.00000
     13      19.2331      0.00000
     14      20.7191      0.00000
     15      22.5998      0.00000
     16      23.1203      0.00000
     17      24.3559      0.00000
     18      28.3983      0.00000
     19      28.7106      0.00000
     20      29.3384      0.00000
     21      30.0186      0.00000
     22      31.3270      0.00000
     23      33.1395      0.00000
     24      34.4210      0.00000
     25      34.5818      0.00000
     26      35.8968      0.00000
     27      36.7320      0.00000
     28      37.2683      0.00000
     29      37.6940      0.00000
     30      38.9957      0.00000
     31      40.0061      0.00000
     32      40.9120      0.00000
     33      43.3885      0.00000
     34      44.0120      0.00000
     35      44.5496      0.00000
     36      45.8718      0.00000
     37      46.9612      0.00000
     38      48.3260      0.00000
     39      48.4316      0.00000
     40      49.3813      0.00000
     41      49.9850      0.00000
     42      51.5356      0.00000
     43      52.7380      0.00000
     44      53.3810      0.00000
     45      53.7852      0.00000
     46      55.9342      0.00000
     47      56.4326      0.00000
     48      58.6663      0.00000

 k-point    13 :       0.4615    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -4.0129      1.00000
      2      -0.8899      1.00000
      3       4.1163      1.00000
      4       4.3776      1.00000
      5       7.7101      0.00000
      6       8.9351      0.00000
      7       9.4222      0.00000
      8      13.3089      0.00000
      9      14.3960      0.00000
     10      16.1123      0.00000
     11      16.8429      0.00000
     12      17.3622      0.00000
     13      18.1722      0.00000
     14      20.1443      0.00000
     15      23.3820      0.00000
     16      25.0443      0.00000
     17      26.1787      0.00000
     18      27.1277      0.00000
     19      28.4637      0.00000
     20      28.5203      0.00000
     21      30.5526      0.00000
     22      30.9809      0.00000
     23      32.4364      0.00000
     24      33.3225      0.00000
     25      33.7638      0.00000
     26      35.0681      0.00000
     27      36.5217      0.00000
     28      36.9438      0.00000
     29      37.5666      0.00000
     30      38.7203      0.00000
     31      39.3297      0.00000
     32      40.0839      0.00000
     33      42.8250      0.00000
     34      43.4007      0.00000
     35      44.4619      0.00000
     36      46.4951      0.00000
     37      46.9401      0.00000
     38      49.0251      0.00000
     39      49.2667      0.00000
     40      50.3168      0.00000
     41      51.3859      0.00000
     42      52.0142      0.00000
     43      53.7367      0.00000
     44      53.8574      0.00000
     45      54.7006      0.00000
     46      55.9619      0.00000
     47      57.1503      0.00000
     48      58.7086      0.00000

 k-point    14 :      -0.4615    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -3.8082      1.00000
      2      -1.1902      1.00000
      3       3.9842      1.00000
      4       4.4562      1.00000
      5       7.6829      0.00000
      6       8.9883      0.00000
      7       9.2816      0.00000
      8      13.5690      0.00000
      9      15.2388      0.00000
     10      15.5277      0.00000
     11      16.7089      0.00000
     12      17.8539      0.00000
     13      18.1106      0.00000
     14      19.1454      0.00000
     15      24.6438      0.00000
     16      25.6391      0.00000
     17      26.4998      0.00000
     18      27.0725      0.00000
     19      27.4699      0.00000
     20      27.9311      0.00000
     21      31.1508      0.00000
     22      31.3555      0.00000
     23      31.6817      0.00000
     24      33.4043      0.00000
     25      33.4575      0.00000
     26      34.4218      0.00000
     27      36.4995      0.00000
     28      36.6401      0.00000
     29      37.7477      0.00000
     30      38.9114      0.00000
     31      38.9371      0.00000
     32      39.9831      0.00000
     33      42.6384      0.00000
     34      43.1901      0.00000
     35      44.6283      0.00000
     36      46.1559      0.00000
     37      46.9282      0.00000
     38      48.9885      0.00000
     39      49.8755      0.00000
     40      51.0608      0.00000
     41      51.9956      0.00000
     42      52.1139      0.00000
     43      53.6359      0.00000
     44      54.3848      0.00000
     45      54.7874      0.00000
     46      55.9711      0.00000
     47      57.3012      0.00000
     48      58.5762      0.00000

 k-point    15 :      -0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.1827      1.00000
      2      -0.6232      1.00000
      3       3.9497      1.00000
      4       4.6240      1.00000
      5       7.7495      0.00000
      6       9.1437      0.00000
      7       9.2287      0.00000
      8      13.5012      0.00000
      9      14.1028      0.00000
     10      14.9010      0.00000
     11      16.9465      0.00000
     12      17.4972      0.00000
     13      19.5347      0.00000
     14      20.0058      0.00000
     15      22.6950      0.00000
     16      24.3127      0.00000
     17      25.7823      0.00000
     18      28.1058      0.00000
     19      28.6017      0.00000
     20      28.8137      0.00000
     21      29.9734      0.00000
     22      31.0880      0.00000
     23      33.0441      0.00000
     24      33.2014      0.00000
     25      33.7291      0.00000
     26      35.4563      0.00000
     27      36.6396      0.00000
     28      36.8779      0.00000
     29      37.8328      0.00000
     30      38.9373      0.00000
     31      39.4787      0.00000
     32      40.1405      0.00000
     33      42.9309      0.00000
     34      43.5554      0.00000
     35      44.9831      0.00000
     36      46.0272      0.00000
     37      46.8213      0.00000
     38      47.8249      0.00000
     39      49.8752      0.00000
     40      50.6285      0.00000
     41      51.0024      0.00000
     42      51.1697      0.00000
     43      52.5563      0.00000
     44      54.2081      0.00000
     45      54.8531      0.00000
     46      56.3437      0.00000
     47      57.6404      0.00000
     48      59.1452      0.00000

 k-point    16 :      -0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.7627      1.00000
      2       0.4314      1.00000
      3       4.0212      1.00000
      4       4.8665      1.00000
      5       7.9054      0.00000
      6       9.2188      0.00000
      7       9.3476      0.00000
      8      12.8706      0.00000
      9      12.9534      0.00000
     10      14.6696      0.00000
     11      15.5579      0.00000
     12      18.7262      0.00000
     13      19.8183      0.00000
     14      21.1641      0.00000
     15      22.1244      0.00000
     16      22.9407      0.00000
     17      24.1465      0.00000
     18      27.7237      0.00000
     19      28.8762      0.00000
     20      29.2263      0.00000
     21      30.7039      0.00000
     22      31.9792      0.00000
     23      32.8467      0.00000
     24      34.5826      0.00000
     25      35.3928      0.00000
     26      35.7998      0.00000
     27      36.9068      0.00000
     28      37.1523      0.00000
     29      38.2241      0.00000
     30      39.2765      0.00000
     31      40.1405      0.00000
     32      41.5405      0.00000
     33      43.5020      0.00000
     34      44.1465      0.00000
     35      45.4196      0.00000
     36      45.5235      0.00000
     37      46.2160      0.00000
     38      46.5209      0.00000
     39      48.1147      0.00000
     40      50.5186      0.00000
     41      50.5891      0.00000
     42      50.9396      0.00000
     43      51.7597      0.00000
     44      52.9632      0.00000
     45      53.7713      0.00000
     46      55.3608      0.00000
     47      57.1740      0.00000
     48      58.4292      0.00000

 k-point    17 :      -0.2308    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.3010      1.00000
      2       1.7076      1.00000
      3       4.2048      1.00000
      4       5.1605      1.00000
      5       8.1377      0.00000
      6       9.1144      0.00000
      7       9.4321      0.00000
      8      12.0228      0.00000
      9      12.2713      0.00000
     10      14.2937      0.00000
     11      14.9644      0.00000
     12      17.5868      0.00000
     13      19.6252      0.00000
     14      21.2082      0.00000
     15      22.0698      0.00000
     16      23.8954      0.00000
     17      24.2953      0.00000
     18      26.1206      0.00000
     19      28.6702      0.00000
     20      29.1457      0.00000
     21      32.3499      0.00000
     22      32.3571      0.00000
     23      33.4666      0.00000
     24      35.3680      0.00000
     25      35.9235      0.00000
     26      37.2861      0.00000
     27      37.3287      0.00000
     28      38.3026      0.00000
     29      38.7957      0.00000
     30      39.7801      0.00000
     31      40.6348      0.00000
     32      42.6235      0.00000
     33      43.8721      0.00000
     34      44.5247      0.00000
     35      44.7531      0.00000
     36      45.2341      0.00000
     37      46.3316      0.00000
     38      46.7279      0.00000
     39      47.4452      0.00000
     40      49.9565      0.00000
     41      50.7292      0.00000
     42      50.9775      0.00000
     43      51.2982      0.00000
     44      51.8737      0.00000
     45      52.3384      0.00000
     46      53.7758      0.00000
     47      56.1685      0.00000
     48      56.4575      0.00000

 k-point    18 :      -0.1538    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.7230      1.00000
      2       3.0798      1.00000
      3       4.5085      1.00000
      4       5.4591      1.00000
      5       8.4111      0.00000
      6       8.8083      0.00000
      7       9.1567      0.00000
      8      11.2913      0.00000
      9      12.2026      0.00000
     10      13.4449      0.00000
     11      15.0253      0.00000
     12      16.5696      0.00000
     13      18.2559      0.00000
     14      19.7852      0.00000
     15      23.4050      0.00000
     16      23.9219      0.00000
     17      26.1364      0.00000
     18      26.3932      0.00000
     19      28.4445      0.00000
     20      29.0832      0.00000
     21      32.1783      0.00000
     22      32.3263      0.00000
     23      34.0963      0.00000
     24      35.9915      0.00000
     25      36.2091      0.00000
     26      37.9273      0.00000
     27      38.2109      0.00000
     28      39.1456      0.00000
     29      39.6547      0.00000
     30      40.2278      0.00000
     31      41.4507      0.00000
     32      42.1019      0.00000
     33      44.0242      0.00000
     34      44.9328      0.00000
     35      45.5830      0.00000
     36      46.5375      0.00000
     37      47.2332      0.00000
     38      47.3353      0.00000
     39      47.6570      0.00000
     40      50.0726      0.00000
     41      50.2213      0.00000
     42      50.3910      0.00000
     43      51.0056      0.00000
     44      51.1211      0.00000
     45      51.7308      0.00000
     46      52.8973      0.00000
     47      54.0335      0.00000
     48      54.0379      0.00000

 k-point    19 :      -0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -6.0034      1.00000
      2       4.3309      1.00000
      3       4.9938      1.00000
      4       5.6629      1.00000
      5       8.4898      0.00000
      6       8.6206      0.00000
      7       8.6217      0.00000
      8      10.3616      0.00000
      9      12.6127      0.00000
     10      13.2761      0.00000
     11      14.3029      0.00000
     12      16.6729      0.00000
     13      17.2355      0.00000
     14      18.3918      0.00000
     15      22.1443      0.00000
     16      25.9928      0.00000
     17      27.4931      0.00000
     18      27.7950      0.00000
     19      28.5893      0.00000
     20      29.2403      0.00000
     21      31.9695      0.00000
     22      32.0977      0.00000
     23      32.9623      0.00000
     24      35.6897      0.00000
     25      36.2668      0.00000
     26      37.4842      0.00000
     27      38.3372      0.00000
     28      39.2000      0.00000
     29      40.3450      0.00000
     30      42.0025      0.00000
     31      43.0972      0.00000
     32      43.4820      0.00000
     33      44.2750      0.00000
     34      45.1542      0.00000
     35      46.6463      0.00000
     36      47.4874      0.00000
     37      47.6697      0.00000
     38      48.4694      0.00000
     39      48.6005      0.00000
     40      49.3183      0.00000
     41      49.3942      0.00000
     42      49.7525      0.00000
     43      50.8805      0.00000
     44      51.6590      0.00000
     45      51.8284      0.00000
     46      52.0995      0.00000
     47      52.2036      0.00000
     48      53.5360      0.00000

 k-point    20 :       0.1538    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.7966      1.00000
      2       3.9383      1.00000
      3       4.6754      1.00000
      4       4.6754      1.00000
      5       7.4845      0.00000
      6       9.8632      0.00000
      7       9.8632      0.00000
      8      10.0755      0.00000
      9      12.1918      0.00000
     10      13.9058      0.00000
     11      15.0554      0.00000
     12      17.5683      0.00000
     13      17.5683      0.00000
     14      18.1062      0.00000
     15      23.5269      0.00000
     16      25.4595      0.00000
     17      25.4595      0.00000
     18      26.7178      0.00000
     19      27.8140      0.00000
     20      29.2832      0.00000
     21      32.2918      0.00000
     22      32.7354      0.00000
     23      32.7354      0.00000
     24      37.6684      0.00000
     25      37.6684      0.00000
     26      38.0377      0.00000
     27      38.0377      0.00000
     28      38.0727      0.00000
     29      38.2125      0.00000
     30      39.8622      0.00000
     31      42.0707      0.00000
     32      43.4695      0.00000
     33      45.3178      0.00000
     34      45.3178      0.00000
     35      45.7242      0.00000
     36      46.0294      0.00000
     37      47.2241      0.00000
     38      47.4353      0.00000
     39      47.4353      0.00000
     40      49.4120      0.00000
     41      49.4120      0.00000
     42      50.5384      0.00000
     43      51.6883      0.00000
     44      52.3727      0.00000
     45      52.9086      0.00000
     46      52.9086      0.00000
     47      53.9298      0.00000
     48      53.9759      0.00000

 k-point    21 :       0.2308    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.5164      1.00000
      2       2.9190      1.00000
      3       4.3527      1.00000
      4       4.3796      1.00000
      5       7.4780      0.00000
      6       9.6770      0.00000
      7      10.2800      0.00000
      8      10.3963      0.00000
      9      12.9508      0.00000
     10      14.0609      0.00000
     11      15.7964      0.00000
     12      17.3484      0.00000
     13      18.3113      0.00000
     14      19.4041      0.00000
     15      23.7369      0.00000
     16      24.0563      0.00000
     17      24.8358      0.00000
     18      26.4021      0.00000
     19      27.3043      0.00000
     20      29.0161      0.00000
     21      32.0094      0.00000
     22      32.9467      0.00000
     23      33.6466      0.00000
     24      35.8132      0.00000
     25      36.8185      0.00000
     26      37.5901      0.00000
     27      38.1601      0.00000
     28      38.4363      0.00000
     29      39.0519      0.00000
     30      39.9143      0.00000
     31      41.2074      0.00000
     32      42.2650      0.00000
     33      44.1058      0.00000
     34      44.3126      0.00000
     35      45.6539      0.00000
     36      46.1254      0.00000
     37      46.7547      0.00000
     38      47.6111      0.00000
     39      48.5305      0.00000
     40      48.5431      0.00000
     41      49.8865      0.00000
     42      50.5778      0.00000
     43      51.6641      0.00000
     44      51.7193      0.00000
     45      52.6618      0.00000
     46      52.9686      0.00000
     47      54.3186      0.00000
     48      55.1525      0.00000

 k-point    22 :       0.3077    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.0951      1.00000
      2       1.6724      1.00000
      3       3.9881      1.00000
      4       4.1226      1.00000
      5       7.7085      0.00000
      6       9.7104      0.00000
      7      10.1675      0.00000
      8      10.6256      0.00000
      9      14.3017      0.00000
     10      14.4564      0.00000
     11      15.8851      0.00000
     12      18.0254      0.00000
     13      19.3601      0.00000
     14      20.8600      0.00000
     15      21.9615      0.00000
     16      22.7251      0.00000
     17      25.5046      0.00000
     18      26.5683      0.00000
     19      27.2151      0.00000
     20      28.7660      0.00000
     21      31.6156      0.00000
     22      32.6542      0.00000
     23      33.0996      0.00000
     24      35.5924      0.00000
     25      35.8804      0.00000
     26      35.9740      0.00000
     27      37.8364      0.00000
     28      38.0608      0.00000
     29      38.8862      0.00000
     30      39.6095      0.00000
     31      41.2354      0.00000
     32      42.0446      0.00000
     33      43.4193      0.00000
     34      43.6263      0.00000
     35      44.7430      0.00000
     36      45.9365      0.00000
     37      46.4833      0.00000
     38      47.7460      0.00000
     39      49.3404      0.00000
     40      49.4392      0.00000
     41      50.2541      0.00000
     42      50.2807      0.00000
     43      51.3430      0.00000
     44      51.9189      0.00000
     45      52.9932      0.00000
     46      53.8604      0.00000
     47      55.8215      0.00000
     48      56.0217      0.00000

 k-point    23 :       0.3846    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -4.5572      1.00000
      2       0.4665      1.00000
      3       3.5844      1.00000
      4       4.0039      1.00000
      5       7.7679      0.00000
      6       9.7898      0.00000
      7      10.5189      0.00000
      8      10.5907      0.00000
      9      15.3427      0.00000
     10      15.3861      0.00000
     11      15.8844      0.00000
     12      18.8576      0.00000
     13      19.0405      0.00000
     14      20.8218      0.00000
     15      22.1570      0.00000
     16      23.4681      0.00000
     17      24.5323      0.00000
     18      26.8025      0.00000
     19      28.0018      0.00000
     20      29.4808      0.00000
     21      29.9912      0.00000
     22      31.2177      0.00000
     23      33.1040      0.00000
     24      34.3334      0.00000
     25      35.3006      0.00000
     26      36.1230      0.00000
     27      36.1993      0.00000
     28      37.1284      0.00000
     29      38.5685      0.00000
     30      39.2095      0.00000
     31      40.6037      0.00000
     32      41.9342      0.00000
     33      43.0206      0.00000
     34      43.1619      0.00000
     35      44.5502      0.00000
     36      45.4593      0.00000
     37      47.8167      0.00000
     38      48.5633      0.00000
     39      48.8656      0.00000
     40      50.1740      0.00000
     41      50.6115      0.00000
     42      51.1173      0.00000
     43      52.1695      0.00000
     44      52.3033      0.00000
     45      54.4124      0.00000
     46      54.7664      0.00000
     47      55.8210      0.00000
     48      56.6140      0.00000

 k-point    24 :       0.4615    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -3.9764      1.00000
      2      -0.5511      1.00000
      3       3.2445      1.00000
      4       4.0018      1.00000
      5       7.7598      0.00000
      6       9.6464      0.00000
      7      10.2747      0.00000
      8      11.7283      0.00000
      9      15.0761      0.00000
     10      16.4943      0.00000
     11      17.2194      0.00000
     12      17.2827      0.00000
     13      18.2572      0.00000
     14      21.7489      0.00000
     15      23.1617      0.00000
     16      23.8811      0.00000
     17      25.5572      0.00000
     18      26.9914      0.00000
     19      27.0046      0.00000
     20      29.1260      0.00000
     21      29.6121      0.00000
     22      31.0955      0.00000
     23      32.9471      0.00000
     24      33.5483      0.00000
     25      33.7048      0.00000
     26      35.1746      0.00000
     27      35.9508      0.00000
     28      36.4266      0.00000
     29      38.0551      0.00000
     30      39.3636      0.00000
     31      40.0015      0.00000
     32      40.9487      0.00000
     33      42.7245      0.00000
     34      42.8547      0.00000
     35      44.8492      0.00000
     36      45.9244      0.00000
     37      47.9321      0.00000
     38      48.3414      0.00000
     39      50.3500      0.00000
     40      51.0820      0.00000
     41      51.6796      0.00000
     42      52.2029      0.00000
     43      53.0381      0.00000
     44      53.1115      0.00000
     45      53.6668      0.00000
     46      55.6457      0.00000
     47      56.5153      0.00000
     48      57.5223      0.00000

 k-point    25 :      -0.4615    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -3.6020      1.00000
      2      -1.1011      1.00000
      3       3.0013      1.00000
      4       4.1133      1.00000
      5       7.8257      0.00000
      6       9.5685      0.00000
      7      10.0433      0.00000
      8      13.0872      0.00000
      9      14.6245      0.00000
     10      15.3954      0.00000
     11      16.9150      0.00000
     12      18.2149      0.00000
     13      18.9433      0.00000
     14      20.7689      0.00000
     15      24.5713      0.00000
     16      24.8237      0.00000
     17      25.7263      0.00000
     18      26.8270      0.00000
     19      27.1213      0.00000
     20      27.3643      0.00000
     21      30.5184      0.00000
     22      31.4130      0.00000
     23      32.1381      0.00000
     24      32.8899      0.00000
     25      33.4020      0.00000
     26      34.9128      0.00000
     27      35.2782      0.00000
     28      36.0153      0.00000
     29      38.0318      0.00000
     30      39.2777      0.00000
     31      39.8763      0.00000
     32      40.9220      0.00000
     33      42.6361      0.00000
     34      42.6595      0.00000
     35      44.5976      0.00000
     36      46.0514      0.00000
     37      47.3151      0.00000
     38      49.5789      0.00000
     39      50.0065      0.00000
     40      51.5789      0.00000
     41      52.5132      0.00000
     42      52.6376      0.00000
     43      53.7471      0.00000
     44      54.2086      0.00000
     45      54.2159      0.00000
     46      55.4974      0.00000
     47      56.0092      0.00000
     48      58.8428      0.00000

 k-point    26 :      -0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.8148      1.00000
      2      -0.7939      1.00000
      3       2.8751      1.00000
      4       4.3279      1.00000
      5       7.9987      0.00000
      6       9.5869      0.00000
      7       9.8778      0.00000
      8      13.7199      0.00000
      9      13.9008      0.00000
     10      14.4500      0.00000
     11      16.6813      0.00000
     12      19.1428      0.00000
     13      19.8850      0.00000
     14      20.3596      0.00000
     15      22.6204      0.00000
     16      24.7378      0.00000
     17      26.1744      0.00000
     18      27.0631      0.00000
     19      27.8198      0.00000
     20      27.8631      0.00000
     21      30.0302      0.00000
     22      31.4469      0.00000
     23      32.5093      0.00000
     24      33.0699      0.00000
     25      33.1272      0.00000
     26      34.2369      0.00000
     27      35.4276      0.00000
     28      37.0965      0.00000
     29      38.5768      0.00000
     30      39.2882      0.00000
     31      39.8585      0.00000
     32      40.9026      0.00000
     33      42.6399      0.00000
     34      42.9136      0.00000
     35      44.6377      0.00000
     36      46.1132      0.00000
     37      46.9405      0.00000
     38      48.3990      0.00000
     39      49.2405      0.00000
     40      51.3360      0.00000
     41      52.2493      0.00000
     42      52.6397      0.00000
     43      54.0257      0.00000
     44      54.6958      0.00000
     45      54.7147      0.00000
     46      55.6524      0.00000
     47      56.4732      0.00000
     48      58.4542      0.00000

 k-point    27 :      -0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -4.3710      1.00000
      2       0.1177      1.00000
      3       2.8856      1.00000
      4       4.6259      1.00000
      5       8.2593      0.00000
      6       9.6856      0.00000
      7       9.7494      0.00000
      8      12.5959      0.00000
      9      12.6832      0.00000
     10      15.3531      0.00000
     11      17.4548      0.00000
     12      17.6232      0.00000
     13      20.0968      0.00000
     14      21.5812      0.00000
     15      21.8993      0.00000
     16      23.1411      0.00000
     17      25.3086      0.00000
     18      27.4729      0.00000
     19      27.8746      0.00000
     20      29.3714      0.00000
     21      29.7348      0.00000
     22      31.1213      0.00000
     23      33.0235      0.00000
     24      33.7742      0.00000
     25      34.2888      0.00000
     26      34.9867      0.00000
     27      35.6746      0.00000
     28      37.8762      0.00000
     29      39.3270      0.00000
     30      39.5241      0.00000
     31      39.7977      0.00000
     32      41.6541      0.00000
     33      42.8287      0.00000
     34      43.4644      0.00000
     35      44.8123      0.00000
     36      45.3577      0.00000
     37      46.3424      0.00000
     38      47.5419      0.00000
     39      47.9632      0.00000
     40      50.1392      0.00000
     41      52.3966      0.00000
     42      52.6310      0.00000
     43      53.2028      0.00000
     44      53.6479      0.00000
     45      53.8698      0.00000
     46      55.3491      0.00000
     47      57.7280      0.00000
     48      58.3843      0.00000

 k-point    28 :      -0.2308    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -4.9343      1.00000
      2       1.2534      1.00000
      3       3.0704      1.00000
      4       4.9705      1.00000
      5       8.5562      0.00000
      6       9.5256      0.00000
      7       9.7234      0.00000
      8      11.6471      0.00000
      9      11.9425      0.00000
     10      15.8397      0.00000
     11      16.1368      0.00000
     12      17.7319      0.00000
     13      19.5529      0.00000
     14      20.6874      0.00000
     15      22.3586      0.00000
     16      23.9010      0.00000
     17      24.9322      0.00000
     18      26.8909      0.00000
     19      27.4556      0.00000
     20      28.1896      0.00000
     21      31.7406      0.00000
     22      32.2275      0.00000
     23      33.1314      0.00000
     24      34.8052      0.00000
     25      35.2033      0.00000
     26      36.2246      0.00000
     27      36.8293      0.00000
     28      38.2555      0.00000
     29      39.5478      0.00000
     30      39.8036      0.00000
     31      40.0598      0.00000
     32      42.1828      0.00000
     33      43.7485      0.00000
     34      43.8473      0.00000
     35      44.1842      0.00000
     36      45.2239      0.00000
     37      46.0574      0.00000
     38      46.6088      0.00000
     39      47.9043      0.00000
     40      49.5697      0.00000
     41      51.3745      0.00000
     42      51.4006      0.00000
     43      52.6832      0.00000
     44      53.1879      0.00000
     45      53.6023      0.00000
     46      53.8488      0.00000
     47      56.2839      0.00000
     48      56.5213      0.00000

 k-point    29 :      -0.1538    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.3963      1.00000
      2       2.3423      1.00000
      3       3.5581      1.00000
      4       5.2907      1.00000
      5       8.7638      0.00000
      6       9.1245      0.00000
      7       9.3786      0.00000
      8      11.3247      0.00000
      9      11.8339      0.00000
     10      14.6076      0.00000
     11      15.8496      0.00000
     12      16.9808      0.00000
     13      18.6514      0.00000
     14      21.2229      0.00000
     15      21.8554      0.00000
     16      24.2808      0.00000
     17      26.2697      0.00000
     18      26.4893      0.00000
     19      26.6923      0.00000
     20      28.3651      0.00000
     21      32.2683      0.00000
     22      32.4825      0.00000
     23      34.6381      0.00000
     24      35.0682      0.00000
     25      36.3753      0.00000
     26      36.8809      0.00000
     27      37.7571      0.00000
     28      39.1623      0.00000
     29      39.6754      0.00000
     30      39.8701      0.00000
     31      40.5324      0.00000
     32      41.1125      0.00000
     33      44.4511      0.00000
     34      44.5061      0.00000
     35      44.6146      0.00000
     36      45.8503      0.00000
     37      46.1341      0.00000
     38      46.7930      0.00000
     39      48.1875      0.00000
     40      49.4688      0.00000
     41      50.2244      0.00000
     42      50.5331      0.00000
     43      52.2417      0.00000
     44      52.3379      0.00000
     45      52.5442      0.00000
     46      53.7683      0.00000
     47      54.0020      0.00000
     48      54.7924      0.00000

 k-point    30 :       0.2308    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -5.2851      1.00000
      2       2.5855      1.00000
      3       4.0063      1.00000
      4       4.0063      1.00000
      5       6.9216      0.00000
      6       9.0831      0.00000
      7      11.1401      0.00000
      8      11.1401      0.00000
      9      13.3595      0.00000
     10      14.4769      0.00000
     11      16.5714      0.00000
     12      18.4088      0.00000
     13      18.4088      0.00000
     14      19.0262      0.00000
     15      23.4813      0.00000
     16      23.4813      0.00000
     17      24.5710      0.00000
     18      25.9382      0.00000
     19      26.3763      0.00000
     20      30.1610      0.00000
     21      32.1300      0.00000
     22      33.0371      0.00000
     23      33.0371      0.00000
     24      35.6027      0.00000
     25      35.6027      0.00000
     26      35.8102      0.00000
     27      36.7188      0.00000
     28      40.0311      0.00000
     29      40.3893      0.00000
     30      40.3893      0.00000
     31      40.9351      0.00000
     32      42.8252      0.00000
     33      43.3921      0.00000
     34      43.3921      0.00000
     35      46.5603      0.00000
     36      46.5603      0.00000
     37      46.6245      0.00000
     38      46.6465      0.00000
     39      46.7818      0.00000
     40      49.6135      0.00000
     41      49.6135      0.00000
     42      50.0989      0.00000
     43      51.5007      0.00000
     44      52.7757      0.00000
     45      52.7757      0.00000
     46      54.1176      0.00000
     47      54.9488      0.00000
     48      55.9083      0.00000

 k-point    31 :       0.3077    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -4.9096      1.00000
      2       1.7205      1.00000
      3       3.5957      1.00000
      4       3.7531      1.00000
      5       6.9663      0.00000
      6       8.6978      0.00000
      7      11.4147      0.00000
      8      11.6217      0.00000
      9      14.5078      0.00000
     10      14.9065      0.00000
     11      17.1502      0.00000
     12      18.5027      0.00000
     13      19.0561      0.00000
     14      20.2945      0.00000
     15      21.9770      0.00000
     16      22.4687      0.00000
     17      24.3709      0.00000
     18      25.9505      0.00000
     19      26.9956      0.00000
     20      30.2740      0.00000
     21      31.4209      0.00000
     22      32.5983      0.00000
     23      32.8376      0.00000
     24      34.6256      0.00000
     25      34.7817      0.00000
     26      35.1040      0.00000
     27      35.9096      0.00000
     28      39.7848      0.00000
     29      39.9241      0.00000
     30      41.4937      0.00000
     31      41.8435      0.00000
     32      42.0485      0.00000
     33      42.6867      0.00000
     34      42.9223      0.00000
     35      45.8135      0.00000
     36      46.2750      0.00000
     37      46.4032      0.00000
     38      47.2605      0.00000
     39      48.2105      0.00000
     40      48.6672      0.00000
     41      49.6208      0.00000
     42      50.6841      0.00000
     43      52.3817      0.00000
     44      52.7774      0.00000
     45      53.1111      0.00000
     46      54.1822      0.00000
     47      54.3104      0.00000
     48      56.2739      0.00000

 k-point    32 :       0.3846    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -4.4070      1.00000
      2       0.7083      1.00000
      3       3.0417      1.00000
      4       3.6153      1.00000
      5       7.1906      0.00000
      6       8.9672      0.00000
      7      11.2931      0.00000
      8      11.6618      0.00000
      9      15.7532      0.00000
     10      16.0193      0.00000
     11      16.8633      0.00000
     12      18.7679      0.00000
     13      19.2491      0.00000
     14      20.5590      0.00000
     15      21.6351      0.00000
     16      23.0077      0.00000
     17      24.6463      0.00000
     18      25.5904      0.00000
     19      27.3294      0.00000
     20      29.5767      0.00000
     21      30.5634      0.00000
     22      31.8462      0.00000
     23      32.2016      0.00000
     24      33.1433      0.00000
     25      34.6128      0.00000
     26      35.3720      0.00000
     27      36.3248      0.00000
     28      38.1774      0.00000
     29      38.6718      0.00000
     30      40.6092      0.00000
     31      41.9955      0.00000
     32      42.3843      0.00000
     33      42.5318      0.00000
     34      42.8803      0.00000
     35      44.7127      0.00000
     36      45.4934      0.00000
     37      48.1468      0.00000
     38      48.1819      0.00000
     39      48.8210      0.00000
     40      49.9158      0.00000
     41      50.5923      0.00000
     42      50.7876      0.00000
     43      52.5550      0.00000
     44      52.7394      0.00000
     45      53.5043      0.00000
     46      53.9350      0.00000
     47      54.3005      0.00000
     48      57.7305      0.00000

 k-point    33 :       0.4615    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.8254      1.00000
      2      -0.2610      1.00000
      3       2.5325      1.00000
      4       3.6005      1.00000
      5       7.2629      0.00000
      6       9.9248      0.00000
      7      11.1217      0.00000
      8      11.4379      0.00000
      9      16.1673      0.00000
     10      16.8517      0.00000
     11      17.2997      0.00000
     12      17.6096      0.00000
     13      18.6503      0.00000
     14      21.6984      0.00000
     15      22.9749      0.00000
     16      24.5757      0.00000
     17      24.7213      0.00000
     18      25.0444      0.00000
     19      26.6618      0.00000
     20      28.2951      0.00000
     21      30.0514      0.00000
     22      31.5165      0.00000
     23      31.7297      0.00000
     24      32.6592      0.00000
     25      34.7505      0.00000
     26      35.4316      0.00000
     27      35.6703      0.00000
     28      36.4718      0.00000
     29      38.0642      0.00000
     30      40.0365      0.00000
     31      41.3244      0.00000
     32      41.9680      0.00000
     33      42.2885      0.00000
     34      42.6654      0.00000
     35      44.5334      0.00000
     36      46.1065      0.00000
     37      48.6196      0.00000
     38      50.1032      0.00000
     39      50.1413      0.00000
     40      50.5048      0.00000
     41      50.7659      0.00000
     42      51.0407      0.00000
     43      51.6018      0.00000
     44      53.6290      0.00000
     45      53.9300      0.00000
     46      55.2006      0.00000
     47      56.0644      0.00000
     48      57.7091      0.00000

 k-point    34 :      -0.4615    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.3341      1.00000
      2      -0.9510      1.00000
      3       2.1493      1.00000
      4       3.7081      1.00000
      5       7.3659      0.00000
      6      10.8352      0.00000
      7      11.1619      0.00000
      8      11.4066      0.00000
      9      15.1374      0.00000
     10      15.3859      0.00000
     11      17.9036      0.00000
     12      18.5698      0.00000
     13      19.2299      0.00000
     14      22.8432      0.00000
     15      23.8689      0.00000
     16      24.2422      0.00000
     17      24.4347      0.00000
     18      25.8789      0.00000
     19      25.8831      0.00000
     20      28.2017      0.00000
     21      29.5731      0.00000
     22      31.0973      0.00000
     23      31.4142      0.00000
     24      33.1687      0.00000
     25      33.4423      0.00000
     26      34.9558      0.00000
     27      35.4396      0.00000
     28      36.4865      0.00000
     29      37.0603      0.00000
     30      39.6700      0.00000
     31      41.1815      0.00000
     32      41.7425      0.00000
     33      42.4333      0.00000
     34      42.5984      0.00000
     35      44.1714      0.00000
     36      46.5857      0.00000
     37      48.8568      0.00000
     38      49.4784      0.00000
     39      49.9026      0.00000
     40      50.5329      0.00000
     41      52.0882      0.00000
     42      52.7470      0.00000
     43      52.9060      0.00000
     44      53.9741      0.00000
     45      54.3079      0.00000
     46      55.9258      0.00000
     47      57.8590      0.00000
     48      58.1742      0.00000

 k-point    35 :      -0.3846    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.3581      1.00000
      2      -0.9117      1.00000
      3       1.9268      1.00000
      4       3.9297      1.00000
      5       7.5886      0.00000
      6      10.8148      0.00000
      7      10.9149      0.00000
      8      12.8615      0.00000
      9      13.8364      0.00000
     10      13.8431      0.00000
     11      17.7529      0.00000
     12      20.2391      0.00000
     13      20.6107      0.00000
     14      21.3915      0.00000
     15      22.3142      0.00000
     16      24.5612      0.00000
     17      25.3230      0.00000
     18      25.6436      0.00000
     19      27.3766      0.00000
     20      27.6118      0.00000
     21      30.5127      0.00000
     22      31.3907      0.00000
     23      31.5769      0.00000
     24      31.8081      0.00000
     25      33.2258      0.00000
     26      34.2615      0.00000
     27      35.0133      0.00000
     28      36.2195      0.00000
     29      38.5091      0.00000
     30      39.6095      0.00000
     31      41.5386      0.00000
     32      41.6156      0.00000
     33      42.4498      0.00000
     34      42.6013      0.00000
     35      43.9086      0.00000
     36      46.1558      0.00000
     37      48.0596      0.00000
     38      48.3712      0.00000
     39      49.8369      0.00000
     40      50.5160      0.00000
     41      53.1465      0.00000
     42      54.0538      0.00000
     43      54.3466      0.00000
     44      54.8132      0.00000
     45      54.8141      0.00000
     46      54.9442      0.00000
     47      56.7087      0.00000
     48      58.6488      0.00000

 k-point    36 :      -0.3077    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.8645      1.00000
      2      -0.2006      1.00000
      3       1.9121      1.00000
      4       4.2464      1.00000
      5       7.9283      0.00000
      6      10.6530      0.00000
      7      10.7747      0.00000
      8      12.4652      0.00000
      9      12.6104      0.00000
     10      14.5273      0.00000
     11      17.9324      0.00000
     12      19.7099      0.00000
     13      19.9939      0.00000
     14      21.9245      0.00000
     15      22.2682      0.00000
     16      23.4756      0.00000
     17      24.4852      0.00000
     18      26.7270      0.00000
     19      28.1073      0.00000
     20      28.5547      0.00000
     21      30.1341      0.00000
     22      31.2540      0.00000
     23      32.0684      0.00000
     24      32.0927      0.00000
     25      33.5898      0.00000
     26      34.4404      0.00000
     27      34.9946      0.00000
     28      36.7076      0.00000
     29      39.7652      0.00000
     30      39.7666      0.00000
     31      41.5339      0.00000
     32      42.2324      0.00000
     33      42.6575      0.00000
     34      42.7899      0.00000
     35      43.8034      0.00000
     36      45.2619      0.00000
     37      45.6332      0.00000
     38      48.1603      0.00000
     39      49.4984      0.00000
     40      50.6738      0.00000
     41      52.9087      0.00000
     42      53.0446      0.00000
     43      54.2944      0.00000
     44      55.0366      0.00000
     45      55.3012      0.00000
     46      56.0459      0.00000
     47      56.2284      0.00000
     48      58.2942      0.00000

 k-point    37 :      -0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -4.4405      1.00000
      2       0.6393      1.00000
      3       2.2352      1.00000
      4       4.6194      1.00000
      5       8.3241      0.00000
      6      10.1741      0.00000
      7      10.4827      0.00000
      8      11.6133      0.00000
      9      11.9635      0.00000
     10      15.9202      0.00000
     11      17.7659      0.00000
     12      18.1038      0.00000
     13      18.9956      0.00000
     14      21.5178      0.00000
     15      22.8899      0.00000
     16      23.4499      0.00000
     17      24.8464      0.00000
     18      26.5802      0.00000
     19      27.2451      0.00000
     20      29.3421      0.00000
     21      30.3499      0.00000
     22      31.5106      0.00000
     23      33.1088      0.00000
     24      33.2862      0.00000
     25      33.6309      0.00000
     26      35.1117      0.00000
     27      36.6071      0.00000
     28      37.5567      0.00000
     29      39.3051      0.00000
     30      39.8962      0.00000
     31      41.6843      0.00000
     32      42.1587      0.00000
     33      43.3060      0.00000
     34      43.6441      0.00000
     35      44.0865      0.00000
     36      44.3448      0.00000
     37      44.5667      0.00000
     38      47.3981      0.00000
     39      49.0947      0.00000
     40      50.7637      0.00000
     41      51.2864      0.00000
     42      51.6372      0.00000
     43      53.9191      0.00000
     44      54.2877      0.00000
     45      55.4336      0.00000
     46      55.5488      0.00000
     47      55.9321      0.00000
     48      57.5367      0.00000

 k-point    38 :       0.3077    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -4.5794      1.00000
      2       1.2059      1.00000
      3       3.4715      1.00000
      4       3.4715      1.00000
      5       6.4876      0.00000
      6       7.9590      0.00000
      7      12.5069      0.00000
      8      12.5069      0.00000
      9      14.9730      0.00000
     10      15.2746      0.00000
     11      18.1705      0.00000
     12      19.1753      0.00000
     13      19.1753      0.00000
     14      20.2128      0.00000
     15      22.0810      0.00000
     16      22.0810      0.00000
     17      22.5352      0.00000
     18      25.0969      0.00000
     19      28.0278      0.00000
     20      30.8882      0.00000
     21      31.8629      0.00000
     22      31.9127      0.00000
     23      31.9127      0.00000
     24      33.7271      0.00000
     25      33.9313      0.00000
     26      34.4688      0.00000
     27      34.4688      0.00000
     28      40.6473      0.00000
     29      40.9562      0.00000
     30      41.6897      0.00000
     31      41.6897      0.00000
     32      42.2556      0.00000
     33      43.2401      0.00000
     34      43.2401      0.00000
     35      45.8780      0.00000
     36      45.8780      0.00000
     37      45.8918      0.00000
     38      47.1591      0.00000
     39      48.4806      0.00000
     40      48.6433      0.00000
     41      49.1924      0.00000
     42      49.1924      0.00000
     43      52.2163      0.00000
     44      53.2298      0.00000
     45      53.8427      0.00000
     46      53.8427      0.00000
     47      56.1838      0.00000
     48      58.2405      0.00000

 k-point    39 :       0.3846    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -4.1162      1.00000
      2       0.4521      1.00000
      3       3.0253      1.00000
      4       3.3043      1.00000
      5       6.6043      0.00000
      6       7.7405      0.00000
      7      12.8119      0.00000
      8      12.9009      0.00000
      9      15.9949      0.00000
     10      16.1652      0.00000
     11      18.0601      0.00000
     12      18.7678      0.00000
     13      19.7714      0.00000
     14      20.4534      0.00000
     15      21.5024      0.00000
     16      22.5889      0.00000
     17      22.7411      0.00000
     18      24.9222      0.00000
     19      28.4071      0.00000
     20      29.2607      0.00000
     21      30.7711      0.00000
     22      30.8366      0.00000
     23      32.0252      0.00000
     24      32.8814      0.00000
     25      33.4643      0.00000
     26      34.5916      0.00000
     27      35.6045      0.00000
     28      39.4512      0.00000
     29      40.1637      0.00000
     30      41.0044      0.00000
     31      41.7078      0.00000
     32      42.1334      0.00000
     33      43.9189      0.00000
     34      44.0518      0.00000
     35      45.1939      0.00000
     36      46.1430      0.00000
     37      46.4133      0.00000
     38      46.8122      0.00000
     39      47.9299      0.00000
     40      49.2838      0.00000
     41      50.3399      0.00000
     42      50.4476      0.00000
     43      50.8518      0.00000
     44      53.4460      0.00000
     45      54.1038      0.00000
     46      54.6994      0.00000
     47      56.4007      0.00000
     48      58.5096      0.00000

 k-point    40 :       0.4615    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -3.5511      1.00000
      2      -0.3319      1.00000
      3       2.3549      1.00000
      4       3.2624      1.00000
      5       6.7909      0.00000
      6       8.3349      0.00000
      7      12.7151      0.00000
      8      12.7976      0.00000
      9      16.8787      0.00000
     10      17.1415      0.00000
     11      17.3245      0.00000
     12      17.7760      0.00000
     13      19.8933      0.00000
     14      21.0838      0.00000
     15      21.9867      0.00000
     16      23.6386      0.00000
     17      24.0609      0.00000
     18      25.2261      0.00000
     19      26.8371      0.00000
     20      28.1591      0.00000
     21      29.7925      0.00000
     22      30.3053      0.00000
     23      30.5216      0.00000
     24      33.0125      0.00000
     25      34.0576      0.00000
     26      34.8119      0.00000
     27      37.0958      0.00000
     28      37.8384      0.00000
     29      38.1931      0.00000
     30      40.3536      0.00000
     31      41.4641      0.00000
     32      42.3426      0.00000
     33      42.7062      0.00000
     34      44.3857      0.00000
     35      44.4881      0.00000
     36      46.4556      0.00000
     37      47.2092      0.00000
     38      48.1972      0.00000
     39      48.8982      0.00000
     40      49.5461      0.00000
     41      49.9303      0.00000
     42      51.9802      0.00000
     43      52.3127      0.00000
     44      53.9501      0.00000
     45      54.6361      0.00000
     46      55.4376      0.00000
     47      55.6772      0.00000
     48      58.4998      0.00000

 k-point    41 :      -0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9936      1.00000
      2      -0.9973      1.00000
      3       1.7658      1.00000
      4       3.3475      1.00000
      5       6.9073      0.00000
      6       9.5418      0.00000
      7      12.5162      0.00000
      8      12.5521      0.00000
      9      15.4424      0.00000
     10      15.4966      0.00000
     11      18.8100      0.00000
     12      19.3307      0.00000
     13      19.5596      0.00000
     14      22.4431      0.00000
     15      22.5518      0.00000
     16      24.0086      0.00000
     17      24.7984      0.00000
     18      25.1547      0.00000
     19      25.6601      0.00000
     20      28.7298      0.00000
     21      29.1427      0.00000
     22      29.1506      0.00000
     23      29.8414      0.00000
     24      33.0889      0.00000
     25      34.6514      0.00000
     26      34.9670      0.00000
     27      35.3306      0.00000
     28      37.2542      0.00000
     29      38.3192      0.00000
     30      40.0432      0.00000
     31      41.0002      0.00000
     32      41.1197      0.00000
     33      43.0200      0.00000
     34      43.8627      0.00000
     35      44.6223      0.00000
     36      45.8975      0.00000
     37      48.2790      0.00000
     38      48.6134      0.00000
     39      49.9574      0.00000
     40      50.2542      0.00000
     41      51.4933      0.00000
     42      51.8802      0.00000
     43      53.1220      0.00000
     44      54.4888      0.00000
     45      55.6545      0.00000
     46      56.2636      0.00000
     47      56.9127      0.00000
     48      57.9286      0.00000

 k-point    42 :      -0.3846    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -2.8477      1.00000
      2      -1.1455      1.00000
      3       1.4049      1.00000
      4       3.5536      1.00000
      5       7.1316      0.00000
      6      10.9911      0.00000
      7      12.1840      0.00000
      8      12.4453      0.00000
      9      13.9189      0.00000
     10      13.9546      0.00000
     11      19.4869      0.00000
     12      20.4999      0.00000
     13      20.6680      0.00000
     14      21.9285      0.00000
     15      22.6444      0.00000
     16      23.6391      0.00000
     17      23.9729      0.00000
     18      25.5699      0.00000
     19      27.0758      0.00000
     20      27.9211      0.00000
     21      28.9607      0.00000
     22      29.6204      0.00000
     23      31.1518      0.00000
     24      32.9179      0.00000
     25      33.3670      0.00000
     26      34.5393      0.00000
     27      35.0480      0.00000
     28      35.6198      0.00000
     29      39.7380      0.00000
     30      40.0025      0.00000
     31      40.8658      0.00000
     32      41.2344      0.00000
     33      42.8819      0.00000
     34      43.4266      0.00000
     35      44.7114      0.00000
     36      44.7434      0.00000
     37      48.6977      0.00000
     38      48.9624      0.00000
     39      49.2485      0.00000
     40      51.7965      0.00000
     41      51.9166      0.00000
     42      53.2469      0.00000
     43      54.0432      0.00000
     44      54.3691      0.00000
     45      55.8237      0.00000
     46      56.5505      0.00000
     47      57.1395      0.00000
     48      58.7823      0.00000

 k-point    43 :      -0.3077    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -3.2945      1.00000
      2      -0.6715      1.00000
      3       1.3983      1.00000
      4       3.8647      1.00000
      5       7.4872      0.00000
      6      11.6203      0.00000
      7      11.8247      0.00000
      8      12.6526      0.00000
      9      12.9081      0.00000
     10      12.9683      0.00000
     11      19.3999      0.00000
     12      19.9473      0.00000
     13      21.4298      0.00000
     14      21.8877      0.00000
     15      22.3542      0.00000
     16      22.9859      0.00000
     17      24.1896      0.00000
     18      25.7326      0.00000
     19      27.8870      0.00000
     20      29.0004      0.00000
     21      29.1238      0.00000
     22      30.3459      0.00000
     23      31.1214      0.00000
     24      33.4085      0.00000
     25      33.5679      0.00000
     26      33.6998      0.00000
     27      34.6402      0.00000
     28      34.9931      0.00000
     29      39.9457      0.00000
     30      40.6596      0.00000
     31      41.0523      0.00000
     32      42.1450      0.00000
     33      42.7005      0.00000
     34      43.3136      0.00000
     35      43.8803      0.00000
     36      44.2907      0.00000
     37      46.6375      0.00000
     38      49.0000      0.00000
     39      50.0808      0.00000
     40      51.2319      0.00000
     41      53.4025      0.00000
     42      53.4950      0.00000
     43      54.5367      0.00000
     44      54.8527      0.00000
     45      55.1659      0.00000
     46      56.2964      0.00000
     47      56.4576      0.00000
     48      58.2618      0.00000

 k-point    44 :       0.3846    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -3.6916      1.00000
      2      -0.1532      1.00000
      3       3.1041      1.00000
      4       3.1041      1.00000
      5       6.2520      0.00000
      6       7.0914      0.00000
      7      13.9284      0.00000
      8      13.9284      0.00000
      9      16.2968      0.00000
     10      16.5914      0.00000
     11      18.5577      0.00000
     12      18.5577      0.00000
     13      19.3044      0.00000
     14      20.6700      0.00000
     15      21.7395      0.00000
     16      22.5894      0.00000
     17      22.5894      0.00000
     18      24.4726      0.00000
     19      28.7325      0.00000
     20      29.3675      0.00000
     21      29.3675      0.00000
     22      29.3687      0.00000
     23      30.6947      0.00000
     24      32.7085      0.00000
     25      34.7614      0.00000
     26      34.7614      0.00000
     27      34.9610      0.00000
     28      40.5778      0.00000
     29      40.5778      0.00000
     30      40.8825      0.00000
     31      41.2458      0.00000
     32      41.8190      0.00000
     33      44.9554      0.00000
     34      45.3185      0.00000
     35      45.3185      0.00000
     36      45.4393      0.00000
     37      45.4393      0.00000
     38      46.5949      0.00000
     39      47.7201      0.00000
     40      48.7293      0.00000
     41      49.2832      0.00000
     42      49.2832      0.00000
     43      51.2473      0.00000
     44      54.8419      0.00000
     45      54.8419      0.00000
     46      55.4299      0.00000
     47      58.2930      0.00000
     48      59.3648      0.00000

 k-point    45 :       0.4615    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -0.8235      1.00000
      3       2.6860      1.00000
      4       3.0288      1.00000
      5       6.4301      0.00000
      6       7.0969      0.00000
      7      14.2313      0.00000
      8      14.2596      0.00000
      9      17.2075      0.00000
     10      17.2828      0.00000
     11      17.3533      0.00000
     12      17.8432      0.00000
     13      20.0037      0.00000
     14      20.3456      0.00000
     15      21.8256      0.00000
     16      23.6302      0.00000
     17      23.9658      0.00000
     18      24.9198      0.00000
     19      26.8437      0.00000
     20      28.1811      0.00000
     21      28.5079      0.00000
     22      29.5838      0.00000
     23      29.7403      0.00000
     24      31.8346      0.00000
     25      34.9592      0.00000
     26      35.2983      0.00000
     27      36.9031      0.00000
     28      39.0093      0.00000
     29      39.9541      0.00000
     30      40.3021      0.00000
     31      41.3784      0.00000
     32      41.9841      0.00000
     33      44.2678      0.00000
     34      44.8011      0.00000
     35      45.1274      0.00000
     36      45.7983      0.00000
     37      45.9238      0.00000
     38      46.6978      0.00000
     39      47.7246      0.00000
     40      48.3122      0.00000
     41      49.7973      0.00000
     42      50.9428      0.00000
     43      52.8836      0.00000
     44      54.5574      0.00000
     45      54.9260      0.00000
     46      56.6511      0.00000
     47      57.9400      0.00000
     48      59.9329      0.00000

 k-point    46 :      -0.4615    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -2.5675      1.00000
      2      -1.4248      1.00000
      3       2.0128      1.00000
      4       3.0824      1.00000
      5       6.5756      0.00000
      6       8.0250      0.00000
      7      14.0089      0.00000
      8      14.1825      0.00000
      9      15.6611      0.00000
     10      15.7197      0.00000
     11      18.8471      0.00000
     12      19.2329      0.00000
     13      20.5315      0.00000
     14      20.8467      0.00000
     15      21.7483      0.00000
     16      23.8814      0.00000
     17      25.0566      0.00000
     18      25.1231      0.00000
     19      26.7922      0.00000
     20      27.3314      0.00000
     21      28.0297      0.00000
     22      28.7987      0.00000
     23      29.5938      0.00000
     24      31.1084      0.00000
     25      35.0937      0.00000
     26      36.0630      0.00000
     27      37.2931      0.00000
     28      37.6345      0.00000
     29      39.2397      0.00000
     30      40.0755      0.00000
     31      40.9858      0.00000
     32      42.0809      0.00000
     33      42.4258      0.00000
     34      44.0519      0.00000
     35      44.8605      0.00000
     36      46.0490      0.00000
     37      46.4996      0.00000
     38      48.3513      0.00000
     39      48.8769      0.00000
     40      49.0293      0.00000
     41      50.5912      0.00000
     42      52.5212      0.00000
     43      53.3380      0.00000
     44      54.3807      0.00000
     45      55.5446      0.00000
     46      57.2859      0.00000
     47      57.6876      0.00000
     48      59.5058      0.00000

 k-point    47 :      -0.3846    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -2.3872      1.00000
      2      -1.5574      1.00000
      3       1.4892      1.00000
      4       3.2616      1.00000
      5       6.7831      0.00000
      6       9.4168      0.00000
      7      13.4128      0.00000
      8      13.9454      0.00000
      9      14.1044      0.00000
     10      14.4175      0.00000
     11      20.2222      0.00000
     12      20.4105      0.00000
     13      20.9008      0.00000
     14      21.5380      0.00000
     15      21.6248      0.00000
     16      22.4669      0.00000
     17      25.4899      0.00000
     18      25.7872      0.00000
     19      26.9164      0.00000
     20      26.9582      0.00000
     21      28.2661      0.00000
     22      28.8177      0.00000
     23      30.4225      0.00000
     24      31.2128      0.00000
     25      35.1147      0.00000
     26      35.1872      0.00000
     27      35.4457      0.00000
     28      36.9048      0.00000
     29      40.2772      0.00000
     30      40.5131      0.00000
     31      40.5706      0.00000
     32      40.9116      0.00000
     33      42.0885      0.00000
     34      43.4650      0.00000
     35      44.6793      0.00000
     36      45.9100      0.00000
     37      48.2648      0.00000
     38      48.5333      0.00000
     39      49.6834      0.00000
     40      50.1214      0.00000
     41      51.5225      0.00000
     42      52.2353      0.00000
     43      54.6635      0.00000
     44      54.6663      0.00000
     45      55.8978      0.00000
     46      57.2053      0.00000
     47      57.7077      0.00000
     48      57.8577      0.00000

 k-point    48 :       0.4615    0.4615   -0.0000
  band No.  band energies     occupation 
      1      -2.6395      1.00000
      2      -1.4486      1.00000
      3       2.9177      1.00000
      4       2.9177      1.00000
      5       6.2551      0.00000
      6       6.5269      0.00000
      7      15.3539      0.00000
      8      15.3539      0.00000
      9      17.1417      0.00000
     10      17.1417      0.00000
     11      17.5405      0.00000
     12      18.0618      0.00000
     13      19.0007      0.00000
     14      19.1660      0.00000
     15      23.5605      0.00000
     16      24.4196      0.00000
     17      24.4196      0.00000
     18      24.8454      0.00000
     19      26.8132      0.00000
     20      26.8132      0.00000
     21      26.8930      0.00000
     22      28.0295      0.00000
     23      30.6320      0.00000
     24      31.6575      0.00000
     25      35.0922      0.00000
     26      35.0922      0.00000
     27      38.3153      0.00000
     28      39.8900      0.00000
     29      39.8900      0.00000
     30      40.8044      0.00000
     31      41.3643      0.00000
     32      41.5291      0.00000
     33      44.0245      0.00000
     34      44.3279      0.00000
     35      45.1893      0.00000
     36      45.1893      0.00000
     37      46.2014      0.00000
     38      46.2014      0.00000
     39      47.3778      0.00000
     40      47.4981      0.00000
     41      50.3387      0.00000
     42      50.3387      0.00000
     43      54.4330      0.00000
     44      54.7650      0.00000
     45      54.7650      0.00000
     46      57.6316      0.00000
     47      57.9865      0.00000
     48      59.9616      0.00000

 k-point    49 :      -0.4615    0.4615   -0.0000
  band No.  band energies     occupation 
      1      -2.0816      1.00000
      2      -2.0035      1.00000
      3       2.5736      1.00000
      4       2.9360      1.00000
      5       6.4041      0.00000
      6       6.8481      0.00000
      7      15.3158      0.00000
      8      15.5131      0.00000
      9      16.0493      0.00000
     10      16.1766      0.00000
     11      18.7410      0.00000
     12      18.7655      0.00000
     13      18.9602      0.00000
     14      19.4074      0.00000
     15      23.6909      0.00000
     16      23.9385      0.00000
     17      25.2754      0.00000
     18      25.4772      0.00000
     19      25.9729      0.00000
     20      26.5604      0.00000
     21      27.2597      0.00000
     22      27.7140      0.00000
     23      30.3793      0.00000
     24      31.0087      0.00000
     25      35.1432      0.00000
     26      35.8321      0.00000
     27      38.1534      0.00000
     28      39.7455      0.00000
     29      39.9246      0.00000
     30      40.1129      0.00000
     31      41.0498      0.00000
     32      41.2865      0.00000
     33      43.8323      0.00000
     34      44.5515      0.00000
     35      44.5854      0.00000
     36      44.7871      0.00000
     37      46.3163      0.00000
     38      46.5959      0.00000
     39      47.9002      0.00000
     40      48.5095      0.00000
     41      50.6475      0.00000
     42      51.2877      0.00000
     43      53.6372      0.00000
     44      54.5592      0.00000
     45      56.0718      0.00000
     46      57.0490      0.00000
     47      58.9883      0.00000
     48      59.0861      0.00000

 k-point    50 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -5.6960      1.00000
      2       3.2794      1.00000
      3       4.2815      1.00000
      4       5.1442      1.00000
      5       8.0386      0.00000
      6       9.1794      0.00000
      7       9.6849      0.00000
      8      10.6672      0.00000
      9      12.4183      0.00000
     10      13.7243      0.00000
     11      15.2853      0.00000
     12      16.9419      0.00000
     13      17.8491      0.00000
     14      19.5342      0.00000
     15      23.7555      0.00000
     16      23.8908      0.00000
     17      25.6459      0.00000
     18      27.1809      0.00000
     19      28.1088      0.00000
     20      28.3657      0.00000
     21      31.6922      0.00000
     22      33.0677      0.00000
     23      33.8462      0.00000
     24      36.4061      0.00000
     25      36.8862      0.00000
     26      37.5157      0.00000
     27      38.0885      0.00000
     28      39.1680      0.00000
     29      39.5108      0.00000
     30      39.5693      0.00000
     31      41.5307      0.00000
     32      42.1328      0.00000
     33      44.4600      0.00000
     34      44.8110      0.00000
     35      45.3413      0.00000
     36      46.2710      0.00000
     37      47.3140      0.00000
     38      47.7726      0.00000
     39      48.2888      0.00000
     40      49.4354      0.00000
     41      49.4531      0.00000
     42      50.8208      0.00000
     43      50.8349      0.00000
     44      51.6151      0.00000
     45      52.3108      0.00000
     46      52.5495      0.00000
     47      53.5751      0.00000
     48      55.1714      0.00000

 k-point    51 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -5.3205      1.00000
      2       2.1119      1.00000
      3       3.7766      1.00000
      4       4.9052      1.00000
      5       8.2851      0.00000
      6       9.1564      0.00000
      7      10.0957      0.00000
      8      10.6464      0.00000
      9      12.8417      0.00000
     10      14.5560      0.00000
     11      15.7292      0.00000
     12      17.3189      0.00000
     13      18.9766      0.00000
     14      20.9860      0.00000
     15      21.9349      0.00000
     16      24.0837      0.00000
     17      25.0999      0.00000
     18      26.7136      0.00000
     19      27.4356      0.00000
     20      28.5274      0.00000
     21      31.5581      0.00000
     22      32.9904      0.00000
     23      34.0725      0.00000
     24      35.2319      0.00000
     25      36.3622      0.00000
     26      36.8575      0.00000
     27      37.7899      0.00000
     28      38.9640      0.00000
     29      39.0590      0.00000
     30      39.5938      0.00000
     31      40.7992      0.00000
     32      41.4254      0.00000
     33      43.6238      0.00000
     34      44.8168      0.00000
     35      45.1822      0.00000
     36      45.4316      0.00000
     37      46.3450      0.00000
     38      47.1821      0.00000
     39      48.2804      0.00000
     40      49.8339      0.00000
     41      49.8820      0.00000
     42      50.8327      0.00000
     43      51.2398      0.00000
     44      51.9148      0.00000
     45      52.7654      0.00000
     46      54.1919      0.00000
     47      54.3576      0.00000
     48      55.9747      0.00000

 k-point    52 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -4.8174      1.00000
      2       0.8621      1.00000
      3       3.5009      1.00000
      4       4.5987      1.00000
      5       8.3286      0.00000
      6       9.0952      0.00000
      7      10.1874      0.00000
      8      11.1007      0.00000
      9      13.5407      0.00000
     10      15.4244      0.00000
     11      15.8732      0.00000
     12      18.3476      0.00000
     13      19.6248      0.00000
     14      21.2008      0.00000
     15      21.6884      0.00000
     16      23.5475      0.00000
     17      24.4294      0.00000
     18      27.3076      0.00000
     19      27.8178      0.00000
     20      28.9164      0.00000
     21      31.1599      0.00000
     22      31.3681      0.00000
     23      33.2982      0.00000
     24      34.7096      0.00000
     25      35.6512      0.00000
     26      36.1794      0.00000
     27      37.1607      0.00000
     28      37.3205      0.00000
     29      38.6222      0.00000
     30      39.0951      0.00000
     31      40.4437      0.00000
     32      42.5785      0.00000
     33      42.9249      0.00000
     34      43.7825      0.00000
     35      44.4830      0.00000
     36      45.5857      0.00000
     37      46.8673      0.00000
     38      47.1016      0.00000
     39      48.3199      0.00000
     40      50.0469      0.00000
     41      50.1837      0.00000
     42      51.2991      0.00000
     43      52.3734      0.00000
     44      52.6485      0.00000
     45      54.1310      0.00000
     46      54.6687      0.00000
     47      56.1874      0.00000
     48      56.5256      0.00000

 k-point    53 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -4.2366      1.00000
      2      -0.2541      1.00000
      3       3.3527      1.00000
      4       4.3383      1.00000
      5       8.2495      0.00000
      6       8.9420      0.00000
      7      10.1060      0.00000
      8      12.0945      0.00000
      9      14.4605      0.00000
     10      15.1861      0.00000
     11      17.3039      0.00000
     12      17.4637      0.00000
     13      19.5664      0.00000
     14      21.1158      0.00000
     15      22.5411      0.00000
     16      23.4764      0.00000
     17      25.3375      0.00000
     18      27.5459      0.00000
     19      28.2335      0.00000
     20      29.0364      0.00000
     21      30.0984      0.00000
     22      30.4937      0.00000
     23      32.9598      0.00000
     24      33.6726      0.00000
     25      34.1621      0.00000
     26      35.3373      0.00000
     27      36.4668      0.00000
     28      37.0343      0.00000
     29      38.1132      0.00000
     30      39.0566      0.00000
     31      39.9392      0.00000
     32      41.0009      0.00000
     33      42.5582      0.00000
     34      43.9839      0.00000
     35      44.9858      0.00000
     36      45.3627      0.00000
     37      47.0884      0.00000
     38      48.1340      0.00000
     39      49.3860      0.00000
     40      49.9165      0.00000
     41      51.0469      0.00000
     42      52.3904      0.00000
     43      53.2550      0.00000
     44      53.7827      0.00000
     45      54.3449      0.00000
     46      55.4170      0.00000
     47      56.5923      0.00000
     48      58.2085      0.00000

 k-point    54 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.7454      1.00000
      2      -1.0208      1.00000
      3       3.2917      1.00000
      4       4.1892      1.00000
      5       8.1964      0.00000
      6       8.8226      0.00000
      7      10.0258      0.00000
      8      13.3152      0.00000
      9      14.4013      0.00000
     10      15.5466      0.00000
     11      16.7895      0.00000
     12      18.0098      0.00000
     13      18.9146      0.00000
     14      20.4666      0.00000
     15      23.7201      0.00000
     16      25.3695      0.00000
     17      26.0646      0.00000
     18      26.6177      0.00000
     19      27.6160      0.00000
     20      27.9209      0.00000
     21      30.3199      0.00000
     22      31.5834      0.00000
     23      31.8536      0.00000
     24      33.1451      0.00000
     25      33.3488      0.00000
     26      34.9766      0.00000
     27      36.1041      0.00000
     28      36.1696      0.00000
     29      37.8167      0.00000
     30      38.9984      0.00000
     31      39.5705      0.00000
     32      40.7521      0.00000
     33      42.3027      0.00000
     34      43.7786      0.00000
     35      44.5351      0.00000
     36      45.3527      0.00000
     37      48.1880      0.00000
     38      48.4334      0.00000
     39      49.8941      0.00000
     40      50.9840      0.00000
     41      52.6077      0.00000
     42      52.7393      0.00000
     43      53.6761      0.00000
     44      54.3120      0.00000
     45      54.5221      0.00000
     46      54.7782      0.00000
     47      56.6682      0.00000
     48      59.0818      0.00000

 k-point    55 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -5.1890      1.00000
      2       2.1734      1.00000
      3       3.6101      1.00000
      4       4.2975      1.00000
      5       7.5011      0.00000
      6       9.3904      0.00000
      7      10.3803      0.00000
      8      11.0187      0.00000
      9      13.5787      0.00000
     10      14.7342      0.00000
     11      16.5271      0.00000
     12      17.6622      0.00000
     13      18.8187      0.00000
     14      20.4458      0.00000
     15      21.9685      0.00000
     16      23.6739      0.00000
     17      25.3213      0.00000
     18      25.9664      0.00000
     19      27.0439      0.00000
     20      29.1226      0.00000
     21      31.4354      0.00000
     22      32.8369      0.00000
     23      33.9709      0.00000
     24      34.9002      0.00000
     25      35.3148      0.00000
     26      37.0806      0.00000
     27      37.0994      0.00000
     28      38.4461      0.00000
     29      40.2063      0.00000
     30      40.5105      0.00000
     31      41.0372      0.00000
     32      41.1989      0.00000
     33      42.9156      0.00000
     34      44.3849      0.00000
     35      45.3114      0.00000
     36      46.4098      0.00000
     37      46.6526      0.00000
     38      47.5158      0.00000
     39      48.5991      0.00000
     40      48.6849      0.00000
     41      49.1652      0.00000
     42      50.8831      0.00000
     43      51.7975      0.00000
     44      52.8752      0.00000
     45      52.9295      0.00000
     46      53.8726      0.00000
     47      53.9029      0.00000
     48      55.7784      0.00000

 k-point    56 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.7267      1.00000
      2       1.1606      1.00000
      3       3.1025      1.00000
      4       4.0358      1.00000
      5       7.8009      0.00000
      6       9.4849      0.00000
      7      10.1630      0.00000
      8      11.3959      0.00000
      9      14.1800      0.00000
     10      16.0859      0.00000
     11      16.5529      0.00000
     12      18.2170      0.00000
     13      19.5354      0.00000
     14      20.8310      0.00000
     15      21.3025      0.00000
     16      23.3514      0.00000
     17      24.9952      0.00000
     18      26.1680      0.00000
     19      27.2503      0.00000
     20      29.5643      0.00000
     21      30.7569      0.00000
     22      31.2796      0.00000
     23      33.0544      0.00000
     24      34.2035      0.00000
     25      35.1539      0.00000
     26      36.3710      0.00000
     27      37.0284      0.00000
     28      37.8677      0.00000
     29      38.7425      0.00000
     30      39.9971      0.00000
     31      40.9960      0.00000
     32      41.8754      0.00000
     33      42.5202      0.00000
     34      44.1796      0.00000
     35      44.6850      0.00000
     36      46.2810      0.00000
     37      46.9616      0.00000
     38      47.7994      0.00000
     39      48.5380      0.00000
     40      49.3112      0.00000
     41      50.0812      0.00000
     42      51.3652      0.00000
     43      52.2473      0.00000
     44      52.5403      0.00000
     45      53.8754      0.00000
     46      54.5658      0.00000
     47      55.4146      0.00000
     48      55.7869      0.00000

 k-point    57 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.1630      1.00000
      2       0.1039      1.00000
      3       2.7693      1.00000
      4       3.7981      1.00000
      5       7.9242      0.00000
      6       9.8537      0.00000
      7      10.2956      0.00000
      8      11.4061      0.00000
      9      15.1789      0.00000
     10      15.9271      0.00000
     11      17.6193      0.00000
     12      17.7017      0.00000
     13      19.5068      0.00000
     14      20.8342      0.00000
     15      22.4955      0.00000
     16      24.3417      0.00000
     17      24.4611      0.00000
     18      26.0380      0.00000
     19      27.5592      0.00000
     20      28.8372      0.00000
     21      30.1688      0.00000
     22      31.0850      0.00000
     23      32.1138      0.00000
     24      33.0894      0.00000
     25      34.8514      0.00000
     26      35.8032      0.00000
     27      36.4365      0.00000
     28      36.9634      0.00000
     29      38.0552      0.00000
     30      39.2856      0.00000
     31      41.0700      0.00000
     32      41.5430      0.00000
     33      41.9108      0.00000
     34      43.7978      0.00000
     35      44.9292      0.00000
     36      46.3062      0.00000
     37      47.7680      0.00000
     38      48.5550      0.00000
     39      49.1657      0.00000
     40      50.0385      0.00000
     41      50.7529      0.00000
     42      51.7967      0.00000
     43      52.7801      0.00000
     44      53.3266      0.00000
     45      53.7911      0.00000
     46      55.3556      0.00000
     47      56.6280      0.00000
     48      57.2414      0.00000

 k-point    58 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.6061      1.00000
      2      -0.7609      1.00000
      3       2.5282      1.00000
      4       3.7045      1.00000
      5       7.9972      0.00000
      6       9.5765      0.00000
      7      11.2972      0.00000
      8      11.5469      0.00000
      9      14.7766      0.00000
     10      16.1633      0.00000
     11      17.1384      0.00000
     12      18.2337      0.00000
     13      19.2162      0.00000
     14      22.2160      0.00000
     15      23.1273      0.00000
     16      24.5351      0.00000
     17      25.1319      0.00000
     18      25.8624      0.00000
     19      26.9891      0.00000
     20      28.4282      0.00000
     21      29.2974      0.00000
     22      31.4307      0.00000
     23      31.9691      0.00000
     24      33.0748      0.00000
     25      33.3414      0.00000
     26      34.9362      0.00000
     27      36.1039      0.00000
     28      36.8646      0.00000
     29      37.2772      0.00000
     30      38.7614      0.00000
     31      40.8514      0.00000
     32      41.1190      0.00000
     33      41.7869      0.00000
     34      43.6015      0.00000
     35      45.5477      0.00000
     36      46.1391      0.00000
     37      48.2341      0.00000
     38      49.2880      0.00000
     39      49.4505      0.00000
     40      50.8792      0.00000
     41      51.5429      0.00000
     42      52.0844      0.00000
     43      53.0071      0.00000
     44      53.6894      0.00000
     45      54.8423      0.00000
     46      56.3118      0.00000
     47      57.0197      0.00000
     48      58.0881      0.00000

 k-point    59 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.4021      1.00000
      2      -1.0399      1.00000
      3       2.3702      1.00000
      4       3.7792      1.00000
      5       8.1587      0.00000
      6       9.3715      0.00000
      7      11.2077      0.00000
      8      12.9838      0.00000
      9      13.3738      0.00000
     10      15.6214      0.00000
     11      17.2649      0.00000
     12      18.4361      0.00000
     13      20.7638      0.00000
     14      21.0786      0.00000
     15      23.4999      0.00000
     16      24.6261      0.00000
     17      25.4236      0.00000
     18      26.4015      0.00000
     19      26.5923      0.00000
     20      27.7161      0.00000
     21      30.7269      0.00000
     22      31.0879      0.00000
     23      31.4108      0.00000
     24      32.0348      0.00000
     25      33.6216      0.00000
     26      34.7417      0.00000
     27      35.5903      0.00000
     28      36.8969      0.00000
     29      37.3534      0.00000
     30      38.5593      0.00000
     31      40.7225      0.00000
     32      41.1566      0.00000
     33      41.9126      0.00000
     34      43.5870      0.00000
     35      45.4632      0.00000
     36      46.0363      0.00000
     37      48.1948      0.00000
     38      49.2307      0.00000
     39      49.3311      0.00000
     40      50.8427      0.00000
     41      51.9468      0.00000
     42      52.5303      0.00000
     43      53.8909      0.00000
     44      54.3511      0.00000
     45      55.4481      0.00000
     46      56.0990      0.00000
     47      56.5400      0.00000
     48      58.9076      0.00000

 k-point    60 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.7896      1.00000
      2      -0.4883      1.00000
      3       2.3270      1.00000
      4       3.9985      1.00000
      5       8.4276      0.00000
      6       9.2508      0.00000
      7      11.1511      0.00000
      8      11.9572      0.00000
      9      14.4197      0.00000
     10      14.5596      0.00000
     11      17.3017      0.00000
     12      19.4785      0.00000
     13      19.9217      0.00000
     14      21.2280      0.00000
     15      22.5394      0.00000
     16      24.0212      0.00000
     17      25.0675      0.00000
     18      27.1485      0.00000
     19      27.4273      0.00000
     20      28.1916      0.00000
     21      29.7755      0.00000
     22      31.5954      0.00000
     23      31.7082      0.00000
     24      32.7334      0.00000
     25      33.5406      0.00000
     26      34.2289      0.00000
     27      36.0081      0.00000
     28      37.3652      0.00000
     29      38.2445      0.00000
     30      38.8931      0.00000
     31      40.7238      0.00000
     32      41.3951      0.00000
     33      41.8484      0.00000
     34      43.8706      0.00000
     35      45.1927      0.00000
     36      46.1384      0.00000
     37      47.0456      0.00000
     38      48.0534      0.00000
     39      48.8500      0.00000
     40      51.0445      0.00000
     41      51.6923      0.00000
     42      52.9829      0.00000
     43      53.8140      0.00000
     44      54.2922      0.00000
     45      55.3032      0.00000
     46      55.7536      0.00000
     47      56.6949      0.00000
     48      58.4729      0.00000

 k-point    61 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.3706      1.00000
      2       0.4581      1.00000
      3       2.4555      1.00000
      4       4.3184      1.00000
      5       8.7636      0.00000
      6       9.1447      0.00000
      7      10.7930      0.00000
      8      11.1327      0.00000
      9      13.3288      0.00000
     10      15.8686      0.00000
     11      17.7019      0.00000
     12      17.9229      0.00000
     13      19.5132      0.00000
     14      21.3908      0.00000
     15      22.0356      0.00000
     16      24.0081      0.00000
     17      24.7358      0.00000
     18      26.4674      0.00000
     19      27.5234      0.00000
     20      29.7942      0.00000
     21      29.9190      0.00000
     22      30.8422      0.00000
     23      32.5292      0.00000
     24      33.2205      0.00000
     25      34.4509      0.00000
     26      35.8778      0.00000
     27      36.4102      0.00000
     28      37.9614      0.00000
     29      38.4026      0.00000
     30      39.1842      0.00000
     31      40.9648      0.00000
     32      41.7417      0.00000
     33      42.8113      0.00000
     34      43.8982      0.00000
     35      44.3774      0.00000
     36      45.9712      0.00000
     37      46.1459      0.00000
     38      47.3653      0.00000
     39      48.3328      0.00000
     40      50.3182      0.00000
     41      51.3798      0.00000
     42      52.2788      0.00000
     43      52.6836      0.00000
     44      54.3646      0.00000
     45      54.8193      0.00000
     46      55.5850      0.00000
     47      56.4129      0.00000
     48      56.7633      0.00000

 k-point    62 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.9040      1.00000
      2       1.4171      1.00000
      3       2.8882      1.00000
      4       4.6662      1.00000
      5       8.7660      0.00000
      6       9.0908      0.00000
      7      10.3962      0.00000
      8      10.7144      0.00000
      9      12.7930      0.00000
     10      16.1562      0.00000
     11      16.4483      0.00000
     12      17.5362      0.00000
     13      19.5174      0.00000
     14      20.5238      0.00000
     15      22.0474      0.00000
     16      24.1507      0.00000
     17      25.3961      0.00000
     18      25.8333      0.00000
     19      27.7487      0.00000
     20      28.3024      0.00000
     21      31.2228      0.00000
     22      31.8425      0.00000
     23      33.9090      0.00000
     24      33.9983      0.00000
     25      35.5125      0.00000
     26      36.3984      0.00000
     27      37.2040      0.00000
     28      38.6659      0.00000
     29      39.2010      0.00000
     30      39.2283      0.00000
     31      40.9825      0.00000
     32      41.1774      0.00000
     33      42.6707      0.00000
     34      44.6718      0.00000
     35      45.4119      0.00000
     36      45.4595      0.00000
     37      46.2161      0.00000
     38      46.4251      0.00000
     39      48.0797      0.00000
     40      49.6730      0.00000
     41      50.6718      0.00000
     42      51.2723      0.00000
     43      52.6930      0.00000
     44      52.9258      0.00000
     45      53.2237      0.00000
     46      54.8826      0.00000
     47      55.7231      0.00000
     48      57.1005      0.00000

 k-point    63 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -4.4911      1.00000
      2       1.0024      1.00000
      3       3.0849      1.00000
      4       3.5367      1.00000
      5       7.0759      0.00000
      6       8.3608      0.00000
      7      11.4984      0.00000
      8      12.4439      0.00000
      9      14.9139      0.00000
     10      16.1265      0.00000
     11      17.5279      0.00000
     12      18.6687      0.00000
     13      19.5715      0.00000
     14      20.6229      0.00000
     15      21.0911      0.00000
     16      22.9518      0.00000
     17      23.4783      0.00000
     18      25.7240      0.00000
     19      27.5526      0.00000
     20      30.2505      0.00000
     21      31.0717      0.00000
     22      31.3095      0.00000
     23      31.9860      0.00000
     24      33.6296      0.00000
     25      34.4750      0.00000
     26      34.8244      0.00000
     27      35.9422      0.00000
     28      39.0453      0.00000
     29      40.1853      0.00000
     30      40.4253      0.00000
     31      41.1523      0.00000
     32      42.4842      0.00000
     33      43.2771      0.00000
     34      43.4162      0.00000
     35      45.9966      0.00000
     36      46.3145      0.00000
     37      46.4060      0.00000
     38      47.0524      0.00000
     39      47.5938      0.00000
     40      49.6939      0.00000
     41      49.9120      0.00000
     42      51.7182      0.00000
     43      52.1536      0.00000
     44      52.6090      0.00000
     45      52.9784      0.00000
     46      54.4767      0.00000
     47      55.5039      0.00000
     48      55.9933      0.00000

 k-point    64 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.9561      1.00000
      2       0.1719      1.00000
      3       2.5406      1.00000
      4       3.3060      1.00000
      5       7.3904      0.00000
      6       8.6849      0.00000
      7      11.2453      0.00000
      8      12.8022      0.00000
      9      15.6968      0.00000
     10      16.5745      0.00000
     11      17.7424      0.00000
     12      18.4150      0.00000
     13      19.8244      0.00000
     14      20.2882      0.00000
     15      22.0906      0.00000
     16      23.2314      0.00000
     17      24.4641      0.00000
     18      25.6729      0.00000
     19      27.3049      0.00000
     20      28.3406      0.00000
     21      30.3049      0.00000
     22      30.4399      0.00000
     23      32.3957      0.00000
     24      32.6431      0.00000
     25      34.1945      0.00000
     26      34.7522      0.00000
     27      37.0327      0.00000
     28      37.9107      0.00000
     29      38.5111      0.00000
     30      39.3957      0.00000
     31      40.6630      0.00000
     32      42.5901      0.00000
     33      43.2945      0.00000
     34      43.8026      0.00000
     35      45.4191      0.00000
     36      46.3204      0.00000
     37      47.1841      0.00000
     38      47.8030      0.00000
     39      48.8111      0.00000
     40      50.2649      0.00000
     41      50.7500      0.00000
     42      51.4357      0.00000
     43      51.9888      0.00000
     44      53.0752      0.00000
     45      53.9249      0.00000
     46      54.9881      0.00000
     47      55.8359      0.00000
     48      57.3458      0.00000

 k-point    65 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -0.6263      1.00000
      3       2.0520      1.00000
      4       3.2371      1.00000
      5       7.5164      0.00000
      6       9.7340      0.00000
      7      10.9624      0.00000
      8      12.7689      0.00000
      9      15.0369      0.00000
     10      16.8161      0.00000
     11      17.4849      0.00000
     12      19.0734      0.00000
     13      19.4243      0.00000
     14      21.6866      0.00000
     15      23.3992      0.00000
     16      23.7415      0.00000
     17      24.9212      0.00000
     18      25.6111      0.00000
     19      25.9736      0.00000
     20      28.3296      0.00000
     21      29.0660      0.00000
     22      29.7236      0.00000
     23      31.3925      0.00000
     24      33.7039      0.00000
     25      34.2579      0.00000
     26      34.8000      0.00000
     27      35.3918      0.00000
     28      37.5038      0.00000
     29      37.9072      0.00000
     30      38.8774      0.00000
     31      40.3265      0.00000
     32      41.6922      0.00000
     33      43.1993      0.00000
     34      43.9447      0.00000
     35      45.5484      0.00000
     36      46.4692      0.00000
     37      48.0372      0.00000
     38      48.7842      0.00000
     39      49.3538      0.00000
     40      50.5903      0.00000
     41      50.9889      0.00000
     42      51.4568      0.00000
     43      52.9716      0.00000
     44      53.7889      0.00000
     45      54.8661      0.00000
     46      56.2973      0.00000
     47      56.8786      0.00000
     48      57.5629      0.00000

 k-point    66 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.0018      1.00000
      2      -1.0783      1.00000
      3       1.7078      1.00000
      4       3.3390      1.00000
      5       7.6882      0.00000
      6      10.5540      0.00000
      7      11.2880      0.00000
      8      12.6365      0.00000
      9      13.4549      0.00000
     10      15.8081      0.00000
     11      18.4364      0.00000
     12      18.9466      0.00000
     13      20.9835      0.00000
     14      22.6785      0.00000
     15      23.1966      0.00000
     16      23.5185      0.00000
     17      24.5130      0.00000
     18      25.2024      0.00000
     19      26.8778      0.00000
     20      27.7030      0.00000
     21      29.2080      0.00000
     22      30.3484      0.00000
     23      31.0427      0.00000
     24      32.6509      0.00000
     25      33.7508      0.00000
     26      34.6416      0.00000
     27      35.6316      0.00000
     28      36.3584      0.00000
     29      38.2179      0.00000
     30      38.6090      0.00000
     31      39.8987      0.00000
     32      42.0098      0.00000
     33      43.2996      0.00000
     34      43.9630      0.00000
     35      45.2351      0.00000
     36      45.8997      0.00000
     37      48.3943      0.00000
     38      48.9306      0.00000
     39      49.7338      0.00000
     40      50.5324      0.00000
     41      51.4852      0.00000
     42      52.8078      0.00000
     43      53.7240      0.00000
     44      54.2227      0.00000
     45      55.4950      0.00000
     46      56.5542      0.00000
     47      57.8301      0.00000
     48      58.6368      0.00000

 k-point    67 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.2559      1.00000
      2      -0.7652      1.00000
      3       1.5767      1.00000
      4       3.5835      1.00000
      5       7.9800      0.00000
      6      10.3928      0.00000
      7      11.9107      0.00000
      8      12.4113      0.00000
      9      12.9876      0.00000
     10      14.4320      0.00000
     11      18.7316      0.00000
     12      20.1364      0.00000
     13      20.9827      0.00000
     14      21.6046      0.00000
     15      22.6492      0.00000
     16      23.3274      0.00000
     17      24.8625      0.00000
     18      25.7949      0.00000
     19      27.0849      0.00000
     20      28.4144      0.00000
     21      29.3639      0.00000
     22      30.4501      0.00000
     23      31.4954      0.00000
     24      32.7138      0.00000
     25      33.5085      0.00000
     26      33.9344      0.00000
     27      35.3409      0.00000
     28      36.1220      0.00000
     29      38.2974      0.00000
     30      39.6305      0.00000
     31      40.1006      0.00000
     32      42.3738      0.00000
     33      43.4290      0.00000
     34      43.8609      0.00000
     35      44.7593      0.00000
     36      44.9208      0.00000
     37      47.4113      0.00000
     38      48.8431      0.00000
     39      49.8850      0.00000
     40      50.7386      0.00000
     41      51.9823      0.00000
     42      53.2946      0.00000
     43      53.8312      0.00000
     44      54.7280      0.00000
     45      55.5302      0.00000
     46      56.4818      0.00000
     47      57.1175      0.00000
     48      58.6207      0.00000

 k-point    68 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.8202      1.00000
      2      -0.0926      1.00000
      3       1.7756      1.00000
      4       3.9328      1.00000
      5       8.3748      0.00000
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     10      14.5839      0.00000
     11      18.7110      0.00000
     12      19.3657      0.00000
     13      19.7754      0.00000
     14      21.4563      0.00000
     15      22.8652      0.00000
     16      23.8571      0.00000
     17      23.8852      0.00000
     18      26.6769      0.00000
     19      27.7856      0.00000
     20      28.3633      0.00000
     21      30.1399      0.00000
     22      30.6776      0.00000
     23      31.7019      0.00000
     24      32.7360      0.00000
     25      33.1469      0.00000
     26      35.2919      0.00000
     27      35.9699      0.00000
     28      36.2983      0.00000
     29      38.3710      0.00000
     30      39.9850      0.00000
     31      40.3399      0.00000
     32      43.0030      0.00000
     33      43.4796      0.00000
     34      43.7311      0.00000
     35      44.0973      0.00000
     36      44.6395      0.00000
     37      46.0211      0.00000
     38      48.4345      0.00000
     39      49.7688      0.00000
     40      50.1223      0.00000
     41      52.6442      0.00000
     42      52.7336      0.00000
     43      53.9383      0.00000
     44      53.9844      0.00000
     45      54.6645      0.00000
     46      56.8676      0.00000
     47      57.0651      0.00000
     48      57.7208      0.00000

 k-point    69 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -3.6166      1.00000
      2      -0.2208      1.00000
      3       2.7435      1.00000
      4       2.9909      1.00000
      5       6.8329      0.00000
      6       7.5560      0.00000
      7      12.7462      0.00000
      8      13.9140      0.00000
      9      16.2816      0.00000
     10      16.9951      0.00000
     11      17.6480      0.00000
     12      18.6849      0.00000
     13      19.7835      0.00000
     14      20.7990      0.00000
     15      21.6424      0.00000
     16      22.4560      0.00000
     17      24.0673      0.00000
     18      24.9849      0.00000
     19      27.7664      0.00000
     20      28.3766      0.00000
     21      29.2564      0.00000
     22      30.1605      0.00000
     23      31.1147      0.00000
     24      32.2582      0.00000
     25      34.1646      0.00000
     26      35.1122      0.00000
     27      36.4133      0.00000
     28      38.9733      0.00000
     29      39.8088      0.00000
     30      39.9857      0.00000
     31      40.2123      0.00000
     32      42.9878      0.00000
     33      43.9789      0.00000
     34      44.6380      0.00000
     35      45.8500      0.00000
     36      46.4249      0.00000
     37      46.4616      0.00000
     38      46.4955      0.00000
     39      47.4073      0.00000
     40      48.7039      0.00000
     41      50.6073      0.00000
     42      51.5538      0.00000
     43      51.9007      0.00000
     44      53.5622      0.00000
     45      54.1114      0.00000
     46      56.0356      0.00000
     47      57.0410      0.00000
     48      58.4787      0.00000

 k-point    70 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -3.0344      1.00000
      2      -0.8879      1.00000
      3       2.1523      1.00000
      4       2.8778      1.00000
      5       7.1265      0.00000
      6       8.1942      0.00000
      7      12.4614      0.00000
      8      14.2480      0.00000
      9      15.3146      0.00000
     10      17.0865      0.00000
     11      17.6767      0.00000
     12      19.3705      0.00000
     13      20.2849      0.00000
     14      20.8531      0.00000
     15      22.1803      0.00000
     16      23.3071      0.00000
     17      24.9643      0.00000
     18      25.6070      0.00000
     19      26.4179      0.00000
     20      27.5833      0.00000
     21      28.5375      0.00000
     22      29.6051      0.00000
     23      30.0518      0.00000
     24      31.8014      0.00000
     25      35.0344      0.00000
     26      35.4359      0.00000
     27      37.3126      0.00000
     28      37.6663      0.00000
     29      38.2515      0.00000
     30      39.4073      0.00000
     31      40.0337      0.00000
     32      42.5471      0.00000
     33      43.6670      0.00000
     34      44.5741      0.00000
     35      45.7217      0.00000
     36      46.1036      0.00000
     37      46.8321      0.00000
     38      47.7282      0.00000
     39      48.1736      0.00000
     40      49.0248      0.00000
     41      51.5929      0.00000
     42      52.4568      0.00000
     43      53.2414      0.00000
     44      53.7124      0.00000
     45      54.9184      0.00000
     46      56.1679      0.00000
     47      57.0059      0.00000
     48      58.8076      0.00000

 k-point    71 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5525      1.00000
      2      -1.3710      1.00000
      3       1.5948      1.00000
      4       2.9786      1.00000
      5       7.2942      0.00000
      6       9.4871      0.00000
      7      12.1663      0.00000
      8      13.5592      0.00000
      9      14.2356      0.00000
     10      15.9271      0.00000
     11      18.7783      0.00000
     12      20.3013      0.00000
     13      21.0110      0.00000
     14      21.2738      0.00000
     15      22.9124      0.00000
     16      23.0975      0.00000
     17      24.5300      0.00000
     18      25.6816      0.00000
     19      26.4050      0.00000
     20      27.4715      0.00000
     21      28.6488      0.00000
     22      29.4654      0.00000
     23      29.8001      0.00000
     24      31.9274      0.00000
     25      34.5034      0.00000
     26      34.9947      0.00000
     27      36.2291      0.00000
     28      37.1709      0.00000
     29      38.4962      0.00000
     30      39.0251      0.00000
     31      40.4071      0.00000
     32      41.7374      0.00000
     33      43.4211      0.00000
     34      44.6818      0.00000
     35      44.9362      0.00000
     36      45.6292      0.00000
     37      48.3198      0.00000
     38      48.3597      0.00000
     39      48.7505      0.00000
     40      50.2906      0.00000
     41      52.0333      0.00000
     42      52.4365      0.00000
     43      54.1598      0.00000
     44      54.6296      0.00000
     45      55.6078      0.00000
     46      56.4578      0.00000
     47      57.3929      0.00000
     48      58.2628      0.00000

 k-point    72 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.7184      1.00000
      2      -1.1919      1.00000
      3       1.3398      1.00000
      4       3.2243      1.00000
      5       7.5771      0.00000
      6      10.9347      0.00000
      7      11.8236      0.00000
      8      12.2402      0.00000
      9      13.7404      0.00000
     10      14.7463      0.00000
     11      19.9385      0.00000
     12      20.4063      0.00000
     13      20.7131      0.00000
     14      21.8358      0.00000
     15      22.4398      0.00000
     16      23.9173      0.00000
     17      24.0946      0.00000
     18      25.1992      0.00000
     19      27.2973      0.00000
     20      27.6024      0.00000
     21      28.2535      0.00000
     22      29.9116      0.00000
     23      32.0012      0.00000
     24      32.4644      0.00000
     25      32.5843      0.00000
     26      34.1243      0.00000
     27      35.8271      0.00000
     28      36.3010      0.00000
     29      38.5418      0.00000
     30      38.9754      0.00000
     31      40.7430      0.00000
     32      42.6336      0.00000
     33      42.8764      0.00000
     34      44.3903      0.00000
     35      44.5682      0.00000
     36      45.0382      0.00000
     37      48.6100      0.00000
     38      49.1220      0.00000
     39      49.2876      0.00000
     40      50.1255      0.00000
     41      52.3713      0.00000
     42      53.2134      0.00000
     43      54.5024      0.00000
     44      55.1071      0.00000
     45      55.3876      0.00000
     46      56.2735      0.00000
     47      57.1051      0.00000
     48      58.4791      0.00000

 k-point    73 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.5878      1.00000
      2      -1.4391      1.00000
      3       2.6049      1.00000
      4       2.6831      1.00000
      5       6.8125      0.00000
      6       7.0448      0.00000
      7      14.0800      0.00000
      8      15.2066      0.00000
      9      15.8183      0.00000
     10      17.0101      0.00000
     11      17.8171      0.00000
     12      19.1327      0.00000
     13      19.2686      0.00000
     14      20.5918      0.00000
     15      22.5589      0.00000
     16      23.8819      0.00000
     17      24.6819      0.00000
     18      25.5633      0.00000
     19      26.5279      0.00000
     20      26.5544      0.00000
     21      28.3244      0.00000
     22      28.6820      0.00000
     23      29.7783      0.00000
     24      30.8342      0.00000
     25      35.5833      0.00000
     26      35.7337      0.00000
     27      37.7430      0.00000
     28      38.5560      0.00000
     29      39.8214      0.00000
     30      39.8588      0.00000
     31      40.0855      0.00000
     32      42.3738      0.00000
     33      44.2352      0.00000
     34      44.5811      0.00000
     35      45.0365      0.00000
     36      45.0906      0.00000
     37      46.3977      0.00000
     38      46.3999      0.00000
     39      48.3984      0.00000
     40      48.4095      0.00000
     41      51.1239      0.00000
     42      51.5729      0.00000
     43      53.6289      0.00000
     44      53.8326      0.00000
     45      55.9012      0.00000
     46      57.2890      0.00000
     47      57.6989      0.00000
     48      59.9235      0.00000

 k-point    74 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1156      1.00000
      2      -1.8584      1.00000
      3       2.0141      1.00000
      4       2.7421      1.00000
      5       7.0359      0.00000
      6       8.0319      0.00000
      7      13.6985      0.00000
      8      13.9022      0.00000
      9      15.6207      0.00000
     10      16.1130      0.00000
     11      18.6424      0.00000
     12      19.2590      0.00000
     13      20.7478      0.00000
     14      21.2643      0.00000
     15      22.6409      0.00000
     16      22.9813      0.00000
     17      24.7425      0.00000
     18      25.3484      0.00000
     19      27.0600      0.00000
     20      27.1784      0.00000
     21      28.2889      0.00000
     22      28.7954      0.00000
     23      29.5386      0.00000
     24      30.1955      0.00000
     25      35.3866      0.00000
     26      36.5811      0.00000
     27      36.9856      0.00000
     28      37.5162      0.00000
     29      38.4965      0.00000
     30      39.3711      0.00000
     31      41.5550      0.00000
     32      41.8389      0.00000
     33      42.4697      0.00000
     34      44.8453      0.00000
     35      44.9080      0.00000
     36      45.9956      0.00000
     37      46.3549      0.00000
     38      48.4015      0.00000
     39      48.7229      0.00000
     40      48.7701      0.00000
     41      51.9384      0.00000
     42      52.4862      0.00000
     43      53.6676      0.00000
     44      54.0925      0.00000
     45      55.9244      0.00000
     46      57.4863      0.00000
     47      57.7632      0.00000
     48      58.1684      0.00000

 k-point    75 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -4.2318      1.00000
      2       0.5053      1.00000
      3       2.3853      1.00000
      4       3.7220      1.00000
      5       8.3790      0.00000
      6       9.4240      0.00000
      7       9.8776      0.00000
      8      12.2694      0.00000
      9      14.2768      0.00000
     10      16.2438      0.00000
     11      17.8580      0.00000
     12      18.4494      0.00000
     13      19.3357      0.00000
     14      21.0137      0.00000
     15      21.6322      0.00000
     16      23.8675      0.00000
     17      24.7257      0.00000
     18      26.4196      0.00000
     19      26.8556      0.00000
     20      29.3238      0.00000
     21      30.2390      0.00000
     22      30.9301      0.00000
     23      31.3285      0.00000
     24      33.8305      0.00000
     25      34.0954      0.00000
     26      36.2197      0.00000
     27      37.4091      0.00000
     28      37.4646      0.00000
     29      38.3287      0.00000
     30      38.4513      0.00000
     31      40.2330      0.00000
     32      42.0908      0.00000
     33      43.3878      0.00000
     34      44.5607      0.00000
     35      44.9245      0.00000
     36      45.6429      0.00000
     37      47.6701      0.00000
     38      47.6908      0.00000
     39      48.9977      0.00000
     40      49.0200      0.00000
     41      51.0009      0.00000
     42      51.4684      0.00000
     43      53.1364      0.00000
     44      53.5821      0.00000
     45      54.1267      0.00000
     46      55.0407      0.00000
     47      56.2061      0.00000
     48      56.3687      0.00000

 k-point    76 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -3.6544      1.00000
      2      -0.2872      1.00000
      3       2.0028      1.00000
      4       3.3892      1.00000
      5       8.7363      0.00000
      6       9.4512      0.00000
      7      10.2066      0.00000
      8      12.6679      0.00000
      9      14.7291      0.00000
     10      15.0742      0.00000
     11      18.3644      0.00000
     12      19.5480      0.00000
     13      19.9633      0.00000
     14      20.5047      0.00000
     15      22.9783      0.00000
     16      23.7021      0.00000
     17      24.8544      0.00000
     18      26.7088      0.00000
     19      26.9507      0.00000
     20      27.8188      0.00000
     21      29.4309      0.00000
     22      29.9223      0.00000
     23      32.3273      0.00000
     24      33.0355      0.00000
     25      33.8244      0.00000
     26      35.3434      0.00000
     27      35.9541      0.00000
     28      37.2346      0.00000
     29      37.5369      0.00000
     30      38.7776      0.00000
     31      39.7655      0.00000
     32      42.3172      0.00000
     33      42.7349      0.00000
     34      44.9278      0.00000
     35      45.3747      0.00000
     36      46.0976      0.00000
     37      47.6849      0.00000
     38      48.4262      0.00000
     39      49.2205      0.00000
     40      50.1660      0.00000
     41      51.0400      0.00000
     42      51.6546      0.00000
     43      53.1057      0.00000
     44      53.7766      0.00000
     45      54.8444      0.00000
     46      56.8667      0.00000
     47      57.5792      0.00000
     48      57.6770      0.00000

 k-point    77 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -0.9431      1.00000
      3       1.8582      1.00000
      4       3.1894      1.00000
      5       8.8835      0.00000
      6       9.1605      0.00000
      7      11.4937      0.00000
      8      12.7344      0.00000
      9      13.0974      0.00000
     10      16.2953      0.00000
     11      17.8323      0.00000
     12      18.8252      0.00000
     13      21.3055      0.00000
     14      22.1954      0.00000
     15      22.7822      0.00000
     16      23.8309      0.00000
     17      24.7057      0.00000
     18      25.8411      0.00000
     19      26.8509      0.00000
     20      27.7097      0.00000
     21      29.2616      0.00000
     22      30.1416      0.00000
     23      31.6631      0.00000
     24      32.3685      0.00000
     25      34.0225      0.00000
     26      34.9803      0.00000
     27      35.7325      0.00000
     28      36.8273      0.00000
     29      37.0465      0.00000
     30      38.4163      0.00000
     31      39.4310      0.00000
     32      41.7561      0.00000
     33      43.1421      0.00000
     34      45.2552      0.00000
     35      45.5558      0.00000
     36      46.7103      0.00000
     37      47.8242      0.00000
     38      48.4720      0.00000
     39      49.8259      0.00000
     40      50.4136      0.00000
     41      50.9784      0.00000
     42      51.7890      0.00000
     43      53.6014      0.00000
     44      54.5536      0.00000
     45      55.7502      0.00000
     46      56.7080      0.00000
     47      57.8216      0.00000
     48      58.4915      0.00000

 k-point    78 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -3.4020      1.00000
      2      -0.4395      1.00000
      3       2.0965      1.00000
      4       2.8730      1.00000
      5       8.1435      0.00000
      6       8.7207      0.00000
      7      10.9041      0.00000
      8      13.8681      0.00000
      9      14.9657      0.00000
     10      15.8888      0.00000
     11      18.9159      0.00000
     12      19.5640      0.00000
     13      19.8927      0.00000
     14      20.2463      0.00000
     15      22.3083      0.00000
     16      23.3235      0.00000
     17      25.8147      0.00000
     18      25.8936      0.00000
     19      26.9646      0.00000
     20      27.0847      0.00000
     21      28.6424      0.00000
     22      29.3997      0.00000
     23      31.7876      0.00000
     24      33.4795      0.00000
     25      34.2207      0.00000
     26      34.4754      0.00000
     27      37.1778      0.00000
     28      37.4644      0.00000
     29      37.6730      0.00000
     30      38.4964      0.00000
     31      39.6065      0.00000
     32      42.9090      0.00000
     33      43.5208      0.00000
     34      44.6731      0.00000
     35      45.8697      0.00000
     36      46.3692      0.00000
     37      47.7019      0.00000
     38      48.1851      0.00000
     39      48.9976      0.00000
     40      49.1884      0.00000
     41      51.1772      0.00000
     42      51.3657      0.00000
     43      52.6039      0.00000
     44      54.4154      0.00000
     45      54.5099      0.00000
     46      55.9833      0.00000
     47      57.2629      0.00000
     48      58.0485      0.00000

 k-point    79 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.8354      1.00000
      2      -1.0416      1.00000
      3       1.7415      1.00000
      4       2.6412      1.00000
      5       8.4746      0.00000
      6       9.6732      0.00000
      7      10.6116      0.00000
      8      13.2401      0.00000
      9      14.2783      0.00000
     10      16.7418      0.00000
     11      18.0187      0.00000
     12      19.9364      0.00000
     13      20.7551      0.00000
     14      21.5412      0.00000
     15      22.6784      0.00000
     16      24.1592      0.00000
     17      24.8705      0.00000
     18      25.3511      0.00000
     19      26.6105      0.00000
     20      27.0287      0.00000
     21      28.5558      0.00000
     22      29.3669      0.00000
     23      30.9616      0.00000
     24      33.5007      0.00000
     25      33.8762      0.00000
     26      34.9164      0.00000
     27      35.8144      0.00000
     28      36.7031      0.00000
     29      37.2342      0.00000
     30      38.2647      0.00000
     31      40.3565      0.00000
     32      42.2597      0.00000
     33      43.6456      0.00000
     34      45.0997      0.00000
     35      45.6668      0.00000
     36      46.6339      0.00000
     37      47.9433      0.00000
     38      48.5555      0.00000
     39      48.7438      0.00000
     40      50.4864      0.00000
     41      51.1743      0.00000
     42      51.8359      0.00000
     43      53.6124      0.00000
     44      54.4793      0.00000
     45      55.0562      0.00000
     46      57.0084      0.00000
     47      57.4824      0.00000
     48      58.5729      0.00000

 k-point    80 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.6406      1.00000
      2      -1.2376      1.00000
      3       1.5243      1.00000
      4       2.6975      1.00000
      5       8.7007      0.00000
      6      10.1547      0.00000
      7      11.2374      0.00000
      8      11.7338      0.00000
      9      14.2459      0.00000
     10      16.3140      0.00000
     11      18.4230      0.00000
     12      19.9452      0.00000
     13      21.0262      0.00000
     14      22.3873      0.00000
     15      23.1856      0.00000
     16      23.8299      0.00000
     17      24.2393      0.00000
     18      25.3479      0.00000
     19      26.4236      0.00000
     20      26.9565      0.00000
     21      28.3082      0.00000
     22      30.6384      0.00000
     23      31.7313      0.00000
     24      32.0583      0.00000
     25      33.5593      0.00000
     26      34.3141      0.00000
     27      35.9542      0.00000
     28      36.5274      0.00000
     29      37.2902      0.00000
     30      37.8324      0.00000
     31      40.4601      0.00000
     32      42.6196      0.00000
     33      43.7480      0.00000
     34      44.7288      0.00000
     35      45.2913      0.00000
     36      46.5319      0.00000
     37      48.3432      0.00000
     38      48.6712      0.00000
     39      49.2968      0.00000
     40      50.2405      0.00000
     41      51.5135      0.00000
     42      52.4167      0.00000
     43      53.8563      0.00000
     44      54.8934      0.00000
     45      55.8628      0.00000
     46      56.2309      0.00000
     47      56.6967      0.00000
     48      58.5465      0.00000

 k-point    81 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -3.0816      1.00000
      2      -0.7922      1.00000
      3       1.5726      1.00000
      4       2.9748      1.00000
      5       9.0283      0.00000
      6       9.7767      0.00000
      7      10.4091      0.00000
      8      12.9934      0.00000
      9      13.8011      0.00000
     10      15.3204      0.00000
     11      19.4814      0.00000
     12      19.9102      0.00000
     13      20.1532      0.00000
     14      21.7402      0.00000
     15      22.1637      0.00000
     16      24.6165      0.00000
     17      24.6265      0.00000
     18      25.9295      0.00000
     19      26.4045      0.00000
     20      27.4237      0.00000
     21      28.8944      0.00000
     22      29.7237      0.00000
     23      31.6182      0.00000
     24      33.1867      0.00000
     25      34.0998      0.00000
     26      35.0015      0.00000
     27      35.1736      0.00000
     28      35.8747      0.00000
     29      37.6591      0.00000
     30      37.9624      0.00000
     31      40.6571      0.00000
     32      43.0618      0.00000
     33      43.1343      0.00000
     34      44.1418      0.00000
     35      45.4942      0.00000
     36      46.3457      0.00000
     37      48.6533      0.00000
     38      49.1017      0.00000
     39      49.2142      0.00000
     40      49.6646      0.00000
     41      50.8068      0.00000
     42      52.1668      0.00000
     43      53.8718      0.00000
     44      53.9804      0.00000
     45      55.5717      0.00000
     46      57.2314      0.00000
     47      57.9420      0.00000
     48      58.6698      0.00000

 k-point    82 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.4517      1.00000
      2      -1.4398      1.00000
      3       2.0571      1.00000
      4       2.3058      1.00000
      5       8.1033      0.00000
      6       8.2874      0.00000
      7      12.1155      0.00000
      8      13.4843      0.00000
      9      15.4960      0.00000
     10      16.8649      0.00000
     11      18.0697      0.00000
     12      19.2820      0.00000
     13      21.1891      0.00000
     14      21.8340      0.00000
     15      22.4593      0.00000
     16      23.4739      0.00000
     17      24.0994      0.00000
     18      25.4963      0.00000
     19      27.0000      0.00000
     20      27.0236      0.00000
     21      28.7085      0.00000
     22      29.0346      0.00000
     23      29.7573      0.00000
     24      31.1125      0.00000
     25      35.1770      0.00000
     26      36.3143      0.00000
     27      36.6741      0.00000
     28      37.0740      0.00000
     29      37.2353      0.00000
     30      38.2911      0.00000
     31      41.0261      0.00000
     32      43.1397      0.00000
     33      43.2703      0.00000
     34      43.8745      0.00000
     35      45.5824      0.00000
     36      46.6338      0.00000
     37      47.6694      0.00000
     38      48.1473      0.00000
     39      48.2531      0.00000
     40      48.9921      0.00000
     41      52.5799      0.00000
     42      52.8840      0.00000
     43      53.6868      0.00000
     44      54.2715      0.00000
     45      55.5440      0.00000
     46      55.7562      0.00000
     47      57.2339      0.00000
     48      58.2088      0.00000

 k-point    83 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.1673      1.00000
      2      -1.6720      1.00000
      3       1.6642      1.00000
      4       2.3528      1.00000
      5       8.3837      0.00000
      6       9.5692      0.00000
      7      11.7530      0.00000
      8      11.9009      0.00000
      9      15.5406      0.00000
     10      16.3888      0.00000
     11      18.4835      0.00000
     12      19.4710      0.00000
     13      21.5578      0.00000
     14      22.3847      0.00000
     15      23.1338      0.00000
     16      23.3363      0.00000
     17      24.3289      0.00000
     18      25.0821      0.00000
     19      25.7807      0.00000
     20      27.2986      0.00000
     21      28.5069      0.00000
     22      29.5329      0.00000
     23      31.1365      0.00000
     24      31.4464      0.00000
     25      34.3083      0.00000
     26      34.6556      0.00000
     27      36.3007      0.00000
     28      36.3426      0.00000
     29      37.7592      0.00000
     30      38.0839      0.00000
     31      41.6171      0.00000
     32      42.6882      0.00000
     33      43.1255      0.00000
     34      43.9603      0.00000
     35      45.5118      0.00000
     36      46.7523      0.00000
     37      47.9025      0.00000
     38      48.3720      0.00000
     39      49.0672      0.00000
     40      50.0607      0.00000
     41      52.3460      0.00000
     42      53.1735      0.00000
     43      53.9115      0.00000
     44      55.1092      0.00000
     45      55.4614      0.00000
     46      55.8359      0.00000
     47      56.0373      0.00000
     48      57.2669      0.00000

 k-point    84 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -2.2873      1.00000
      2      -1.5122      1.00000
      3       1.6852      1.00000
      4       2.1620      1.00000
      5       9.6926      0.00000
      6       9.7118      0.00000
      7      10.4305      0.00000
      8      11.5551      0.00000
      9      15.5080      0.00000
     10      16.6593      0.00000
     11      18.3090      0.00000
     12      19.4489      0.00000
     13      21.2926      0.00000
     14      22.4120      0.00000
     15      23.4973      0.00000
     16      23.8271      0.00000
     17      25.0676      0.00000
     18      25.1718      0.00000
     19      25.3862      0.00000
     20      25.9672      0.00000
     21      28.6974      0.00000
     22      29.9391      0.00000
     23      31.5393      0.00000
     24      33.5160      0.00000
     25      33.7254      0.00000
     26      33.8620      0.00000
     27      34.7767      0.00000
     28      35.7766      0.00000
     29      37.6862      0.00000
     30      38.4165      0.00000
     31      41.6533      0.00000
     32      42.8272      0.00000
     33      43.1781      0.00000
     34      44.2032      0.00000
     35      45.8235      0.00000
     36      46.1088      0.00000
     37      48.5942      0.00000
     38      48.7944      0.00000
     39      49.5513      0.00000
     40      50.3355      0.00000
     41      52.0861      0.00000
     42      52.5060      0.00000
     43      53.9223      0.00000
     44      54.1259      0.00000
     45      54.8504      0.00000
     46      55.8509      0.00000
     47      56.6934      0.00000
     48      57.7360      0.00000
 Fermi energy:         5.7612315414

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.2100      1.00000
      2       5.7611      1.00000
      3       5.7611      1.00000
      4       5.7611      1.00000
      5       8.2775      0.00000
      6       8.2775      0.00000
      7       8.2775      0.00000
      8       9.0523      0.00000
      9      13.4483      0.00000
     10      13.4483      0.00000
     11      13.4593      0.00000
     12      16.8494      0.00000
     13      16.8494      0.00000
     14      16.8494      0.00000
     15      20.8281      0.00000
     16      28.7278      0.00000
     17      28.7278      0.00000
     18      28.7278      0.00000
     19      29.8927      0.00000
     20      29.8927      0.00000
     21      31.4163      0.00000
     22      31.4163      0.00000
     23      31.4163      0.00000
     24      34.9208      0.00000
     25      34.9208      0.00000
     26      34.9208      0.00000
     27      40.4902      0.00000
     28      40.4902      0.00000
     29      40.4902      0.00000
     30      43.7991      0.00000
     31      44.2948      0.00000
     32      44.2948      0.00000
     33      46.2318      0.00000
     34      46.2318      0.00000
     35      47.8096      0.00000
     36      47.8096      0.00000
     37      47.8096      0.00000
     38      49.5535      0.00000
     39      49.5535      0.00000
     40      49.5535      0.00000
     41      50.1010      0.00000
     42      50.5520      0.00000
     43      50.5520      0.00000
     44      50.5520      0.00000
     45      50.6558      0.00000
     46      50.6558      0.00000
     47      50.6558      0.00000
     48      52.0233      0.00000

 k-point     2 :       0.0769    0.0000   -0.0000
  band No.  band energies     occupation 
      1      -6.1323      1.00000
      2       4.9992      1.00000
      3       5.6354      1.00000
      4       5.6354      1.00000
      5       8.3224      0.00000
      6       8.4617      0.00000
      7       8.4617      0.00000
      8       9.6290      0.00000
      9      13.2005      0.00000
     10      13.2005      0.00000
     11      13.7991      0.00000
     12      16.5533      0.00000
     13      17.3507      0.00000
     14      17.3507      0.00000
     15      21.3647      0.00000
     16      27.9015      0.00000
     17      27.9015      0.00000
     18      27.9168      0.00000
     19      29.5588      0.00000
     20      29.5588      0.00000
     21      31.7553      0.00000
     22      31.7553      0.00000
     23      32.1129      0.00000
     24      34.9919      0.00000
     25      35.8897      0.00000
     26      35.8897      0.00000
     27      39.4182      0.00000
     28      40.2794      0.00000
     29      40.2794      0.00000
     30      43.5367      0.00000
     31      43.5367      0.00000
     32      44.1118      0.00000
     33      45.2403      0.00000
     34      45.2403      0.00000
     35      47.7113      0.00000
     36      47.7113      0.00000
     37      47.9311      0.00000
     38      48.9509      0.00000
     39      49.0604      0.00000
     40      49.4018      0.00000
     41      49.4018      0.00000
     42      50.1186      0.00000
     43      50.1186      0.00000
     44      50.2514      0.00000
     45      51.3230      0.00000
     46      51.7376      0.00000
     47      51.7376      0.00000
     48      53.6715      0.00000

 k-point     3 :       0.1538   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9013      1.00000
      2       3.6070      1.00000
      3       5.3576      1.00000
      4       5.3576      1.00000
      5       8.0925      0.00000
      6       8.8607      0.00000
      7       8.8607      0.00000
      8      10.9129      0.00000
      9      12.8234      0.00000
     10      12.8234      0.00000
     11      14.5337      0.00000
     12      16.1951      0.00000
     13      18.5282      0.00000
     14      18.5282      0.00000
     15      22.6027      0.00000
     16      25.9571      0.00000
     17      25.9571      0.00000
     18      26.4582      0.00000
     19      29.5515      0.00000
     20      29.5515      0.00000
     21      32.0441      0.00000
     22      32.0441      0.00000
     23      33.2561      0.00000
     24      35.2008      0.00000
     25      37.2131      0.00000
     26      37.8161      0.00000
     27      37.8161      0.00000
     28      39.7285      0.00000
     29      39.7285      0.00000
     30      41.5549      0.00000
     31      41.5549      0.00000
     32      43.8274      0.00000
     33      43.8274      0.00000
     34      44.4793      0.00000
     35      46.9072      0.00000
     36      47.1381      0.00000
     37      47.2898      0.00000
     38      47.2898      0.00000
     39      49.0989      0.00000
     40      49.5795      0.00000
     41      49.5795      0.00000
     42      49.8303      0.00000
     43      50.8339      0.00000
     44      50.8339      0.00000
     45      51.0709      0.00000
     46      53.4721      0.00000
     47      53.6173      0.00000
     48      53.6173      0.00000

 k-point     4 :       0.2308    0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.5242      1.00000
      2       2.1634      1.00000
      3       5.0643      1.00000
      4       5.0643      1.00000
      5       7.7855      0.00000
      6       9.1784      0.00000
      7       9.1784      0.00000
      8      12.2666      0.00000
      9      12.8048      0.00000
     10      12.8048      0.00000
     11      14.6061      0.00000
     12      17.0265      0.00000
     13      19.9639      0.00000
     14      19.9639      0.00000
     15      23.6739      0.00000
     16      23.9410      0.00000
     17      23.9410      0.00000
     18      25.4474      0.00000
     19      29.6702      0.00000
     20      29.6702      0.00000
     21      32.2614      0.00000
     22      32.2614      0.00000
     23      33.8583      0.00000
     24      35.1208      0.00000
     25      35.5317      0.00000
     26      37.9871      0.00000
     27      37.9871      0.00000
     28      39.2778      0.00000
     29      39.2778      0.00000
     30      40.0737      0.00000
     31      40.0737      0.00000
     32      43.5999      0.00000
     33      43.5999      0.00000
     34      44.3453      0.00000
     35      44.6961      0.00000
     36      45.4100      0.00000
     37      46.9273      0.00000
     38      46.9273      0.00000
     39      49.2058      0.00000
     40      49.5420      0.00000
     41      49.5420      0.00000
     42      49.7775      0.00000
     43      50.1062      0.00000
     44      52.2866      0.00000
     45      52.2866      0.00000
     46      55.0312      0.00000
     47      55.0312      0.00000
     48      55.7948      0.00000

 k-point     5 :       0.3077   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0195      1.00000
      2       0.8160      1.00000
      3       4.8220      1.00000
      4       4.8220      1.00000
      5       7.5165      0.00000
      6       9.2354      0.00000
      7       9.2354      0.00000
      8      13.3371      0.00000
      9      13.3743      0.00000
     10      13.3743      0.00000
     11      14.5044      0.00000
     12      18.6732      0.00000
     13      20.6586      0.00000
     14      20.6586      0.00000
     15      22.8100      0.00000
     16      22.9618      0.00000
     17      22.9618      0.00000
     18      26.7452      0.00000
     19      29.7392      0.00000
     20      29.7392      0.00000
     21      31.7280      0.00000
     22      32.4387      0.00000
     23      32.4387      0.00000
     24      35.3815      0.00000
     25      35.7369      0.00000
     26      35.7369      0.00000
     27      35.9492      0.00000
     28      38.5884      0.00000
     29      38.5884      0.00000
     30      39.7441      0.00000
     31      39.7441      0.00000
     32      42.0188      0.00000
     33      43.8467      0.00000
     34      43.9384      0.00000
     35      45.3084      0.00000
     36      45.3084      0.00000
     37      46.7413      0.00000
     38      46.7413      0.00000
     39      48.7409      0.00000
     40      49.4629      0.00000
     41      49.4629      0.00000
     42      49.7225      0.00000
     43      51.1147      0.00000
     44      53.6654      0.00000
     45      53.6654      0.00000
     46      55.7567      0.00000
     47      55.7567      0.00000
     48      57.5615      0.00000

 k-point     6 :       0.3846   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4384      1.00000
      2      -0.3414      1.00000
      3       4.6550      1.00000
      4       4.6550      1.00000
      5       7.3261      0.00000
      6       9.1364      0.00000
      7       9.1364      0.00000
      8      13.4240      0.00000
      9      14.4339      0.00000
     10      14.4339      0.00000
     11      15.4613      0.00000
     12      19.2394      0.00000
     13      19.2394      0.00000
     14      19.6913      0.00000
     15      22.3916      0.00000
     16      24.3955      0.00000
     17      24.3955      0.00000
     18      28.6490      0.00000
     19      29.2542      0.00000
     20      29.4534      0.00000
     21      29.4534      0.00000
     22      32.4598      0.00000
     23      32.4598      0.00000
     24      33.8075      0.00000
     25      33.8075      0.00000
     26      35.3608      0.00000
     27      36.3774      0.00000
     28      38.1346      0.00000
     29      38.1346      0.00000
     30      39.0713      0.00000
     31      39.0713      0.00000
     32      40.1162      0.00000
     33      42.8055      0.00000
     34      43.0254      0.00000
     35      46.4201      0.00000
     36      46.4201      0.00000
     37      47.6305      0.00000
     38      47.6305      0.00000
     39      48.4989      0.00000
     40      49.5563      0.00000
     41      49.8515      0.00000
     42      49.8515      0.00000
     43      52.7990      0.00000
     44      54.5179      0.00000
     45      54.5179      0.00000
     46      57.0642      0.00000
     47      57.0642      0.00000
     48      58.6674      0.00000

 k-point     7 :       0.4615   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.9503      1.00000
      2      -1.1212      1.00000
      3       4.5706      1.00000
      4       4.5706      1.00000
      5       7.2286      0.00000
      6       9.0482      0.00000
      7       9.0482      0.00000
      8      13.2908      0.00000
      9      15.7746      0.00000
     10      15.7746      0.00000
     11      16.6765      0.00000
     12      17.5573      0.00000
     13      17.5573      0.00000
     14      18.9198      0.00000
     15      24.0963      0.00000
     16      26.3701      0.00000
     17      26.3701      0.00000
     18      26.5503      0.00000
     19      28.2765      0.00000
     20      28.2765      0.00000
     21      30.7714      0.00000
     22      32.1470      0.00000
     23      32.1470      0.00000
     24      33.1606      0.00000
     25      33.1606      0.00000
     26      34.2156      0.00000
     27      36.6733      0.00000
     28      37.9651      0.00000
     29      37.9651      0.00000
     30      38.5759      0.00000
     31      38.5759      0.00000
     32      39.5324      0.00000
     33      42.1568      0.00000
     34      42.4037      0.00000
     35      46.4183      0.00000
     36      46.4183      0.00000
     37      48.2433      0.00000
     38      48.2433      0.00000
     39      48.4012      0.00000
     40      49.4537      0.00000
     41      51.6596      0.00000
     42      51.6596      0.00000
     43      54.3227      0.00000
     44      54.3227      0.00000
     45      54.4584      0.00000
     46      58.0945      0.00000
     47      58.0945      0.00000
     48      58.3946      0.00000

 k-point     8 :       0.0769    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -6.1063      1.00000
      2       5.1514      1.00000
      3       5.3794      1.00000
      4       5.3794      1.00000
      5       8.0293      0.00000
      6       8.7856      0.00000
      7       8.7856      0.00000
      8       9.6218      0.00000
      9      12.7442      0.00000
     10      13.5627      0.00000
     11      13.9108      0.00000
     12      17.0308      0.00000
     13      17.0308      0.00000
     14      17.3220      0.00000
     15      21.5849      0.00000
     16      27.4980      0.00000
     17      27.4980      0.00000
     18      28.7803      0.00000
     19      28.8584      0.00000
     20      29.1525      0.00000
     21      31.8577      0.00000
     22      32.0941      0.00000
     23      32.0941      0.00000
     24      35.7032      0.00000
     25      35.7032      0.00000
     26      36.0899      0.00000
     27      39.7777      0.00000
     28      39.7777      0.00000
     29      39.7966      0.00000
     30      42.7745      0.00000
     31      43.9507      0.00000
     32      44.0454      0.00000
     33      44.8183      0.00000
     34      46.1081      0.00000
     35      47.6622      0.00000
     36      47.6900      0.00000
     37      47.6900      0.00000
     38      48.0716      0.00000
     39      48.0716      0.00000
     40      49.1915      0.00000
     41      49.1915      0.00000
     42      49.8977      0.00000
     43      51.1289      0.00000
     44      51.6140      0.00000
     45      51.8792      0.00000
     46      51.8792      0.00000
     47      52.2483      0.00000
     48      52.5459      0.00000

 k-point     9 :       0.1538    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.9260      1.00000
      2       4.0235      1.00000
      3       5.0444      1.00000
      4       5.2349      1.00000
      5       8.0360      0.00000
      6       8.8693      0.00000
      7       9.2746      0.00000
      8      10.4849      0.00000
      9      12.3429      0.00000
     10      13.4879      0.00000
     11      14.5720      0.00000
     12      16.6409      0.00000
     13      17.6785      0.00000
     14      18.4303      0.00000
     15      22.6398      0.00000
     16      25.8446      0.00000
     17      26.1002      0.00000
     18      28.0305      0.00000
     19      28.4072      0.00000
     20      28.9566      0.00000
     21      31.9555      0.00000
     22      32.4240      0.00000
     23      33.0920      0.00000
     24      36.0012      0.00000
     25      37.0720      0.00000
     26      37.8114      0.00000
     27      37.8888      0.00000
     28      38.9943      0.00000
     29      39.6959      0.00000
     30      41.1743      0.00000
     31      42.8043      0.00000
     32      42.9775      0.00000
     33      44.9204      0.00000
     34      44.9863      0.00000
     35      46.3437      0.00000
     36      46.6698      0.00000
     37      47.7327      0.00000
     38      48.0327      0.00000
     39      48.3327      0.00000
     40      49.0295      0.00000
     41      49.8410      0.00000
     42      50.2595      0.00000
     43      50.3024      0.00000
     44      51.6664      0.00000
     45      52.4148      0.00000
     46      52.5308      0.00000
     47      53.2910      0.00000
     48      53.8400      0.00000

 k-point    10 :       0.2308    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.5967      1.00000
      2       2.6271      1.00000
      3       4.7414      1.00000
      4       4.9501      1.00000
      5       8.1490      0.00000
      6       8.8578      0.00000
      7       9.6710      0.00000
      8      11.1009      0.00000
      9      12.7998      0.00000
     10      13.4504      0.00000
     11      15.0596      0.00000
     12      16.7943      0.00000
     13      18.9158      0.00000
     14      19.9284      0.00000
     15      23.7793      0.00000
     16      23.8062      0.00000
     17      24.5139      0.00000
     18      26.5833      0.00000
     19      28.4832      0.00000
     20      29.1106      0.00000
     21      31.9781      0.00000
     22      32.6813      0.00000
     23      34.0657      0.00000
     24      35.5721      0.00000
     25      36.2569      0.00000
     26      38.0366      0.00000
     27      38.2030      0.00000
     28      38.8669      0.00000
     29      39.3473      0.00000
     30      39.7988      0.00000
     31      41.0506      0.00000
     32      42.0610      0.00000
     33      44.0963      0.00000
     34      44.8283      0.00000
     35      45.6938      0.00000
     36      45.8205      0.00000
     37      45.8988      0.00000
     38      48.2114      0.00000
     39      48.6306      0.00000
     40      49.0158      0.00000
     41      49.7897      0.00000
     42      50.2383      0.00000
     43      50.8914      0.00000
     44      51.5143      0.00000
     45      52.6246      0.00000
     46      53.4096      0.00000
     47      54.5527      0.00000
     48      54.7819      0.00000

 k-point    11 :       0.3077    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.1316      1.00000
      2       1.2643      1.00000
      3       4.5197      1.00000
      4       4.6234      1.00000
      5       8.0080      0.00000
      6       8.9764      0.00000
      7       9.7671      0.00000
      8      11.5451      0.00000
      9      13.9026      0.00000
     10      13.9465      0.00000
     11      14.8251      0.00000
     12      18.1729      0.00000
     13      20.0041      0.00000
     14      21.1488      0.00000
     15      22.2359      0.00000
     16      22.8838      0.00000
     17      24.1446      0.00000
     18      26.6925      0.00000
     19      28.6335      0.00000
     20      29.3343      0.00000
     21      31.8649      0.00000
     22      32.4072      0.00000
     23      32.9282      0.00000
     24      35.5599      0.00000
     25      36.1649      0.00000
     26      36.3800      0.00000
     27      37.1392      0.00000
     28      37.7536      0.00000
     29      38.5227      0.00000
     30      39.3586      0.00000
     31      40.6815      0.00000
     32      42.9171      0.00000
     33      43.7474      0.00000
     34      43.9728      0.00000
     35      44.4814      0.00000
     36      45.1163      0.00000
     37      46.1961      0.00000
     38      47.9775      0.00000
     39      48.3229      0.00000
     40      48.9646      0.00000
     41      49.9754      0.00000
     42      50.4318      0.00000
     43      52.0457      0.00000
     44      52.6409      0.00000
     45      52.8494      0.00000
     46      54.6833      0.00000
     47      55.2348      0.00000
     48      56.5108      0.00000

 k-point    12 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.5663      1.00000
      2       0.0447      1.00000
      3       4.3347      1.00000
      4       4.3973      1.00000
      5       7.8268      0.00000
      6       8.9659      0.00000
      7       9.6212      0.00000
      8      12.3997      0.00000
      9      14.2807      0.00000
     10      14.8665      0.00000
     11      15.5410      0.00000
     12      19.0156      0.00000
     13      19.2331      0.00000
     14      20.7191      0.00000
     15      22.5998      0.00000
     16      23.1203      0.00000
     17      24.3559      0.00000
     18      28.3983      0.00000
     19      28.7107      0.00000
     20      29.3385      0.00000
     21      30.0186      0.00000
     22      31.3270      0.00000
     23      33.1396      0.00000
     24      34.4211      0.00000
     25      34.5818      0.00000
     26      35.8968      0.00000
     27      36.7320      0.00000
     28      37.2682      0.00000
     29      37.6940      0.00000
     30      38.9958      0.00000
     31      40.0062      0.00000
     32      40.9120      0.00000
     33      43.3885      0.00000
     34      44.0119      0.00000
     35      44.5496      0.00000
     36      45.8718      0.00000
     37      46.9612      0.00000
     38      48.3260      0.00000
     39      48.4316      0.00000
     40      49.3813      0.00000
     41      49.9850      0.00000
     42      51.5356      0.00000
     43      52.7380      0.00000
     44      53.3811      0.00000
     45      53.7853      0.00000
     46      55.9342      0.00000
     47      56.4326      0.00000
     48      58.6663      0.00000

 k-point    13 :       0.4615    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -4.0129      1.00000
      2      -0.8899      1.00000
      3       4.1162      1.00000
      4       4.3776      1.00000
      5       7.7101      0.00000
      6       8.9351      0.00000
      7       9.4222      0.00000
      8      13.3089      0.00000
      9      14.3960      0.00000
     10      16.1123      0.00000
     11      16.8429      0.00000
     12      17.3622      0.00000
     13      18.1723      0.00000
     14      20.1443      0.00000
     15      23.3820      0.00000
     16      25.0444      0.00000
     17      26.1788      0.00000
     18      27.1277      0.00000
     19      28.4637      0.00000
     20      28.5203      0.00000
     21      30.5525      0.00000
     22      30.9809      0.00000
     23      32.4364      0.00000
     24      33.3226      0.00000
     25      33.7638      0.00000
     26      35.0681      0.00000
     27      36.5217      0.00000
     28      36.9438      0.00000
     29      37.5665      0.00000
     30      38.7203      0.00000
     31      39.3297      0.00000
     32      40.0839      0.00000
     33      42.8250      0.00000
     34      43.4006      0.00000
     35      44.4619      0.00000
     36      46.4951      0.00000
     37      46.9401      0.00000
     38      49.0252      0.00000
     39      49.2667      0.00000
     40      50.3168      0.00000
     41      51.3859      0.00000
     42      52.0142      0.00000
     43      53.7367      0.00000
     44      53.8574      0.00000
     45      54.7006      0.00000
     46      55.9619      0.00000
     47      57.1503      0.00000
     48      58.7087      0.00000

 k-point    14 :      -0.4615    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -3.8082      1.00000
      2      -1.1902      1.00000
      3       3.9842      1.00000
      4       4.4562      1.00000
      5       7.6829      0.00000
      6       8.9883      0.00000
      7       9.2816      0.00000
      8      13.5690      0.00000
      9      15.2388      0.00000
     10      15.5277      0.00000
     11      16.7089      0.00000
     12      17.8539      0.00000
     13      18.1106      0.00000
     14      19.1454      0.00000
     15      24.6438      0.00000
     16      25.6392      0.00000
     17      26.4998      0.00000
     18      27.0726      0.00000
     19      27.4700      0.00000
     20      27.9311      0.00000
     21      31.1509      0.00000
     22      31.3555      0.00000
     23      31.6817      0.00000
     24      33.4043      0.00000
     25      33.4576      0.00000
     26      34.4219      0.00000
     27      36.4995      0.00000
     28      36.6401      0.00000
     29      37.7477      0.00000
     30      38.9114      0.00000
     31      38.9372      0.00000
     32      39.9831      0.00000
     33      42.6384      0.00000
     34      43.1901      0.00000
     35      44.6283      0.00000
     36      46.1559      0.00000
     37      46.9282      0.00000
     38      48.9886      0.00000
     39      49.8755      0.00000
     40      51.0608      0.00000
     41      51.9956      0.00000
     42      52.1139      0.00000
     43      53.6359      0.00000
     44      54.3848      0.00000
     45      54.7874      0.00000
     46      55.9711      0.00000
     47      57.3011      0.00000
     48      58.5762      0.00000

 k-point    15 :      -0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.1827      1.00000
      2      -0.6232      1.00000
      3       3.9497      1.00000
      4       4.6240      1.00000
      5       7.7495      0.00000
      6       9.1437      0.00000
      7       9.2287      0.00000
      8      13.5012      0.00000
      9      14.1028      0.00000
     10      14.9010      0.00000
     11      16.9465      0.00000
     12      17.4972      0.00000
     13      19.5347      0.00000
     14      20.0058      0.00000
     15      22.6950      0.00000
     16      24.3127      0.00000
     17      25.7824      0.00000
     18      28.1058      0.00000
     19      28.6017      0.00000
     20      28.8137      0.00000
     21      29.9734      0.00000
     22      31.0881      0.00000
     23      33.0441      0.00000
     24      33.2015      0.00000
     25      33.7292      0.00000
     26      35.4563      0.00000
     27      36.6396      0.00000
     28      36.8779      0.00000
     29      37.8328      0.00000
     30      38.9373      0.00000
     31      39.4787      0.00000
     32      40.1405      0.00000
     33      42.9309      0.00000
     34      43.5553      0.00000
     35      44.9831      0.00000
     36      46.0272      0.00000
     37      46.8213      0.00000
     38      47.8249      0.00000
     39      49.8752      0.00000
     40      50.6285      0.00000
     41      51.0024      0.00000
     42      51.1697      0.00000
     43      52.5563      0.00000
     44      54.2081      0.00000
     45      54.8531      0.00000
     46      56.3436      0.00000
     47      57.6404      0.00000
     48      59.1453      0.00000

 k-point    16 :      -0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1      -4.7627      1.00000
      2       0.4314      1.00000
      3       4.0212      1.00000
      4       4.8665      1.00000
      5       7.9054      0.00000
      6       9.2188      0.00000
      7       9.3476      0.00000
      8      12.8706      0.00000
      9      12.9534      0.00000
     10      14.6696      0.00000
     11      15.5579      0.00000
     12      18.7262      0.00000
     13      19.8183      0.00000
     14      21.1641      0.00000
     15      22.1244      0.00000
     16      22.9407      0.00000
     17      24.1465      0.00000
     18      27.7237      0.00000
     19      28.8763      0.00000
     20      29.2263      0.00000
     21      30.7039      0.00000
     22      31.9793      0.00000
     23      32.8467      0.00000
     24      34.5827      0.00000
     25      35.3929      0.00000
     26      35.7998      0.00000
     27      36.9068      0.00000
     28      37.1523      0.00000
     29      38.2241      0.00000
     30      39.2766      0.00000
     31      40.1406      0.00000
     32      41.5405      0.00000
     33      43.5020      0.00000
     34      44.1463      0.00000
     35      45.4196      0.00000
     36      45.5235      0.00000
     37      46.2160      0.00000
     38      46.5209      0.00000
     39      48.1147      0.00000
     40      50.5185      0.00000
     41      50.5892      0.00000
     42      50.9396      0.00000
     43      51.7597      0.00000
     44      52.9633      0.00000
     45      53.7713      0.00000
     46      55.3608      0.00000
     47      57.1741      0.00000
     48      58.4292      0.00000

 k-point    17 :      -0.2308    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.3010      1.00000
      2       1.7076      1.00000
      3       4.2048      1.00000
      4       5.1605      1.00000
      5       8.1377      0.00000
      6       9.1144      0.00000
      7       9.4321      0.00000
      8      12.0227      0.00000
      9      12.2713      0.00000
     10      14.2937      0.00000
     11      14.9644      0.00000
     12      17.5868      0.00000
     13      19.6252      0.00000
     14      21.2082      0.00000
     15      22.0698      0.00000
     16      23.8954      0.00000
     17      24.2953      0.00000
     18      26.1205      0.00000
     19      28.6702      0.00000
     20      29.1457      0.00000
     21      32.3500      0.00000
     22      32.3571      0.00000
     23      33.4666      0.00000
     24      35.3680      0.00000
     25      35.9235      0.00000
     26      37.2862      0.00000
     27      37.3287      0.00000
     28      38.3026      0.00000
     29      38.7958      0.00000
     30      39.7802      0.00000
     31      40.6348      0.00000
     32      42.6235      0.00000
     33      43.8720      0.00000
     34      44.5246      0.00000
     35      44.7531      0.00000
     36      45.2341      0.00000
     37      46.3316      0.00000
     38      46.7279      0.00000
     39      47.4452      0.00000
     40      49.9564      0.00000
     41      50.7292      0.00000
     42      50.9775      0.00000
     43      51.2982      0.00000
     44      51.8738      0.00000
     45      52.3384      0.00000
     46      53.7759      0.00000
     47      56.1685      0.00000
     48      56.4575      0.00000

 k-point    18 :      -0.1538    0.0769   -0.0000
  band No.  band energies     occupation 
      1      -5.7230      1.00000
      2       3.0798      1.00000
      3       4.5085      1.00000
      4       5.4591      1.00000
      5       8.4111      0.00000
      6       8.8082      0.00000
      7       9.1567      0.00000
      8      11.2913      0.00000
      9      12.2026      0.00000
     10      13.4449      0.00000
     11      15.0253      0.00000
     12      16.5696      0.00000
     13      18.2559      0.00000
     14      19.7852      0.00000
     15      23.4050      0.00000
     16      23.9220      0.00000
     17      26.1364      0.00000
     18      26.3933      0.00000
     19      28.4445      0.00000
     20      29.0832      0.00000
     21      32.1783      0.00000
     22      32.3263      0.00000
     23      34.0964      0.00000
     24      35.9915      0.00000
     25      36.2091      0.00000
     26      37.9273      0.00000
     27      38.2110      0.00000
     28      39.1456      0.00000
     29      39.6548      0.00000
     30      40.2278      0.00000
     31      41.4507      0.00000
     32      42.1020      0.00000
     33      44.0241      0.00000
     34      44.9326      0.00000
     35      45.5830      0.00000
     36      46.5375      0.00000
     37      47.2332      0.00000
     38      47.3353      0.00000
     39      47.6570      0.00000
     40      50.0726      0.00000
     41      50.2213      0.00000
     42      50.3910      0.00000
     43      51.0057      0.00000
     44      51.1212      0.00000
     45      51.7308      0.00000
     46      52.8974      0.00000
     47      54.0335      0.00000
     48      54.0379      0.00000

 k-point    19 :      -0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1      -6.0034      1.00000
      2       4.3309      1.00000
      3       4.9938      1.00000
      4       5.6629      1.00000
      5       8.4898      0.00000
      6       8.6206      0.00000
      7       8.6216      0.00000
      8      10.3616      0.00000
      9      12.6127      0.00000
     10      13.2761      0.00000
     11      14.3029      0.00000
     12      16.6729      0.00000
     13      17.2355      0.00000
     14      18.3919      0.00000
     15      22.1442      0.00000
     16      25.9929      0.00000
     17      27.4932      0.00000
     18      27.7950      0.00000
     19      28.5893      0.00000
     20      29.2403      0.00000
     21      31.9696      0.00000
     22      32.0978      0.00000
     23      32.9624      0.00000
     24      35.6897      0.00000
     25      36.2668      0.00000
     26      37.4842      0.00000
     27      38.3372      0.00000
     28      39.2000      0.00000
     29      40.3450      0.00000
     30      42.0025      0.00000
     31      43.0973      0.00000
     32      43.4820      0.00000
     33      44.2748      0.00000
     34      45.1542      0.00000
     35      46.6463      0.00000
     36      47.4873      0.00000
     37      47.6697      0.00000
     38      48.4694      0.00000
     39      48.6005      0.00000
     40      49.3183      0.00000
     41      49.3942      0.00000
     42      49.7525      0.00000
     43      50.8805      0.00000
     44      51.6590      0.00000
     45      51.8284      0.00000
     46      52.0995      0.00000
     47      52.2036      0.00000
     48      53.5360      0.00000

 k-point    20 :       0.1538    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.7966      1.00000
      2       3.9383      1.00000
      3       4.6754      1.00000
      4       4.6754      1.00000
      5       7.4845      0.00000
      6       9.8632      0.00000
      7       9.8632      0.00000
      8      10.0755      0.00000
      9      12.1918      0.00000
     10      13.9058      0.00000
     11      15.0554      0.00000
     12      17.5683      0.00000
     13      17.5683      0.00000
     14      18.1062      0.00000
     15      23.5268      0.00000
     16      25.4595      0.00000
     17      25.4595      0.00000
     18      26.7178      0.00000
     19      27.8140      0.00000
     20      29.2833      0.00000
     21      32.2919      0.00000
     22      32.7355      0.00000
     23      32.7355      0.00000
     24      37.6684      0.00000
     25      37.6684      0.00000
     26      38.0377      0.00000
     27      38.0377      0.00000
     28      38.0727      0.00000
     29      38.2125      0.00000
     30      39.8622      0.00000
     31      42.0707      0.00000
     32      43.4695      0.00000
     33      45.3178      0.00000
     34      45.3178      0.00000
     35      45.7240      0.00000
     36      46.0294      0.00000
     37      47.2242      0.00000
     38      47.4353      0.00000
     39      47.4353      0.00000
     40      49.4120      0.00000
     41      49.4120      0.00000
     42      50.5385      0.00000
     43      51.6882      0.00000
     44      52.3727      0.00000
     45      52.9087      0.00000
     46      52.9087      0.00000
     47      53.9298      0.00000
     48      53.9759      0.00000

 k-point    21 :       0.2308    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.5164      1.00000
      2       2.9190      1.00000
      3       4.3527      1.00000
      4       4.3796      1.00000
      5       7.4780      0.00000
      6       9.6770      0.00000
      7      10.2800      0.00000
      8      10.3963      0.00000
      9      12.9508      0.00000
     10      14.0608      0.00000
     11      15.7964      0.00000
     12      17.3484      0.00000
     13      18.3113      0.00000
     14      19.4041      0.00000
     15      23.7369      0.00000
     16      24.0564      0.00000
     17      24.8358      0.00000
     18      26.4021      0.00000
     19      27.3043      0.00000
     20      29.0161      0.00000
     21      32.0094      0.00000
     22      32.9468      0.00000
     23      33.6467      0.00000
     24      35.8132      0.00000
     25      36.8185      0.00000
     26      37.5901      0.00000
     27      38.1601      0.00000
     28      38.4363      0.00000
     29      39.0519      0.00000
     30      39.9143      0.00000
     31      41.2074      0.00000
     32      42.2650      0.00000
     33      44.1058      0.00000
     34      44.3126      0.00000
     35      45.6539      0.00000
     36      46.1252      0.00000
     37      46.7547      0.00000
     38      47.6111      0.00000
     39      48.5305      0.00000
     40      48.5430      0.00000
     41      49.8865      0.00000
     42      50.5777      0.00000
     43      51.6642      0.00000
     44      51.7193      0.00000
     45      52.6619      0.00000
     46      52.9686      0.00000
     47      54.3186      0.00000
     48      55.1525      0.00000

 k-point    22 :       0.3077    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.0951      1.00000
      2       1.6724      1.00000
      3       3.9881      1.00000
      4       4.1226      1.00000
      5       7.7085      0.00000
      6       9.7104      0.00000
      7      10.1675      0.00000
      8      10.6256      0.00000
      9      14.3018      0.00000
     10      14.4564      0.00000
     11      15.8851      0.00000
     12      18.0254      0.00000
     13      19.3601      0.00000
     14      20.8600      0.00000
     15      21.9616      0.00000
     16      22.7251      0.00000
     17      25.5046      0.00000
     18      26.5683      0.00000
     19      27.2151      0.00000
     20      28.7660      0.00000
     21      31.6157      0.00000
     22      32.6542      0.00000
     23      33.0997      0.00000
     24      35.5925      0.00000
     25      35.8804      0.00000
     26      35.9740      0.00000
     27      37.8365      0.00000
     28      38.0608      0.00000
     29      38.8863      0.00000
     30      39.6095      0.00000
     31      41.2355      0.00000
     32      42.0446      0.00000
     33      43.4193      0.00000
     34      43.6263      0.00000
     35      44.7430      0.00000
     36      45.9365      0.00000
     37      46.4833      0.00000
     38      47.7460      0.00000
     39      49.3404      0.00000
     40      49.4392      0.00000
     41      50.2542      0.00000
     42      50.2807      0.00000
     43      51.3430      0.00000
     44      51.9189      0.00000
     45      52.9933      0.00000
     46      53.8604      0.00000
     47      55.8215      0.00000
     48      56.0217      0.00000

 k-point    23 :       0.3846    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -4.5572      1.00000
      2       0.4665      1.00000
      3       3.5844      1.00000
      4       4.0039      1.00000
      5       7.7679      0.00000
      6       9.7898      0.00000
      7      10.5189      0.00000
      8      10.5907      0.00000
      9      15.3427      0.00000
     10      15.3861      0.00000
     11      15.8845      0.00000
     12      18.8576      0.00000
     13      19.0405      0.00000
     14      20.8218      0.00000
     15      22.1570      0.00000
     16      23.4681      0.00000
     17      24.5323      0.00000
     18      26.8026      0.00000
     19      28.0018      0.00000
     20      29.4808      0.00000
     21      29.9912      0.00000
     22      31.2178      0.00000
     23      33.1040      0.00000
     24      34.3335      0.00000
     25      35.3006      0.00000
     26      36.1231      0.00000
     27      36.1994      0.00000
     28      37.1284      0.00000
     29      38.5686      0.00000
     30      39.2095      0.00000
     31      40.6037      0.00000
     32      41.9342      0.00000
     33      43.0206      0.00000
     34      43.1620      0.00000
     35      44.5502      0.00000
     36      45.4592      0.00000
     37      47.8167      0.00000
     38      48.5633      0.00000
     39      48.8656      0.00000
     40      50.1741      0.00000
     41      50.6114      0.00000
     42      51.1173      0.00000
     43      52.1695      0.00000
     44      52.3034      0.00000
     45      54.4124      0.00000
     46      54.7664      0.00000
     47      55.8210      0.00000
     48      56.6140      0.00000

 k-point    24 :       0.4615    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -3.9764      1.00000
      2      -0.5511      1.00000
      3       3.2445      1.00000
      4       4.0018      1.00000
      5       7.7598      0.00000
      6       9.6464      0.00000
      7      10.2747      0.00000
      8      11.7283      0.00000
      9      15.0761      0.00000
     10      16.4943      0.00000
     11      17.2194      0.00000
     12      17.2827      0.00000
     13      18.2572      0.00000
     14      21.7489      0.00000
     15      23.1618      0.00000
     16      23.8811      0.00000
     17      25.5572      0.00000
     18      26.9914      0.00000
     19      27.0047      0.00000
     20      29.1260      0.00000
     21      29.6121      0.00000
     22      31.0954      0.00000
     23      32.9471      0.00000
     24      33.5483      0.00000
     25      33.7049      0.00000
     26      35.1746      0.00000
     27      35.9509      0.00000
     28      36.4266      0.00000
     29      38.0551      0.00000
     30      39.3636      0.00000
     31      40.0015      0.00000
     32      40.9487      0.00000
     33      42.7245      0.00000
     34      42.8547      0.00000
     35      44.8491      0.00000
     36      45.9243      0.00000
     37      47.9321      0.00000
     38      48.3414      0.00000
     39      50.3500      0.00000
     40      51.0820      0.00000
     41      51.6796      0.00000
     42      52.2029      0.00000
     43      53.0381      0.00000
     44      53.1115      0.00000
     45      53.6668      0.00000
     46      55.6457      0.00000
     47      56.5153      0.00000
     48      57.5223      0.00000

 k-point    25 :      -0.4615    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -3.6020      1.00000
      2      -1.1011      1.00000
      3       3.0013      1.00000
      4       4.1133      1.00000
      5       7.8257      0.00000
      6       9.5685      0.00000
      7      10.0433      0.00000
      8      13.0872      0.00000
      9      14.6244      0.00000
     10      15.3954      0.00000
     11      16.9150      0.00000
     12      18.2149      0.00000
     13      18.9433      0.00000
     14      20.7689      0.00000
     15      24.5712      0.00000
     16      24.8237      0.00000
     17      25.7263      0.00000
     18      26.8271      0.00000
     19      27.1213      0.00000
     20      27.3643      0.00000
     21      30.5184      0.00000
     22      31.4130      0.00000
     23      32.1381      0.00000
     24      32.8900      0.00000
     25      33.4020      0.00000
     26      34.9128      0.00000
     27      35.2782      0.00000
     28      36.0153      0.00000
     29      38.0318      0.00000
     30      39.2778      0.00000
     31      39.8762      0.00000
     32      40.9220      0.00000
     33      42.6361      0.00000
     34      42.6595      0.00000
     35      44.5975      0.00000
     36      46.0514      0.00000
     37      47.3151      0.00000
     38      49.5789      0.00000
     39      50.0065      0.00000
     40      51.5788      0.00000
     41      52.5132      0.00000
     42      52.6376      0.00000
     43      53.7471      0.00000
     44      54.2086      0.00000
     45      54.2159      0.00000
     46      55.4974      0.00000
     47      56.0092      0.00000
     48      58.8428      0.00000

 k-point    26 :      -0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1      -3.8148      1.00000
      2      -0.7939      1.00000
      3       2.8751      1.00000
      4       4.3279      1.00000
      5       7.9987      0.00000
      6       9.5869      0.00000
      7       9.8778      0.00000
      8      13.7199      0.00000
      9      13.9008      0.00000
     10      14.4500      0.00000
     11      16.6813      0.00000
     12      19.1428      0.00000
     13      19.8850      0.00000
     14      20.3596      0.00000
     15      22.6204      0.00000
     16      24.7378      0.00000
     17      26.1744      0.00000
     18      27.0631      0.00000
     19      27.8198      0.00000
     20      27.8632      0.00000
     21      30.0302      0.00000
     22      31.4469      0.00000
     23      32.5093      0.00000
     24      33.0699      0.00000
     25      33.1272      0.00000
     26      34.2369      0.00000
     27      35.4276      0.00000
     28      37.0965      0.00000
     29      38.5768      0.00000
     30      39.2882      0.00000
     31      39.8585      0.00000
     32      40.9026      0.00000
     33      42.6399      0.00000
     34      42.9136      0.00000
     35      44.6376      0.00000
     36      46.1132      0.00000
     37      46.9405      0.00000
     38      48.3990      0.00000
     39      49.2405      0.00000
     40      51.3360      0.00000
     41      52.2493      0.00000
     42      52.6397      0.00000
     43      54.0257      0.00000
     44      54.6959      0.00000
     45      54.7147      0.00000
     46      55.6524      0.00000
     47      56.4732      0.00000
     48      58.4541      0.00000

 k-point    27 :      -0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1      -4.3710      1.00000
      2       0.1177      1.00000
      3       2.8856      1.00000
      4       4.6259      1.00000
      5       8.2593      0.00000
      6       9.6855      0.00000
      7       9.7494      0.00000
      8      12.5959      0.00000
      9      12.6832      0.00000
     10      15.3531      0.00000
     11      17.4548      0.00000
     12      17.6232      0.00000
     13      20.0968      0.00000
     14      21.5812      0.00000
     15      21.8993      0.00000
     16      23.1411      0.00000
     17      25.3086      0.00000
     18      27.4730      0.00000
     19      27.8746      0.00000
     20      29.3714      0.00000
     21      29.7348      0.00000
     22      31.1214      0.00000
     23      33.0236      0.00000
     24      33.7743      0.00000
     25      34.2889      0.00000
     26      34.9867      0.00000
     27      35.6746      0.00000
     28      37.8762      0.00000
     29      39.3270      0.00000
     30      39.5242      0.00000
     31      39.7977      0.00000
     32      41.6541      0.00000
     33      42.8287      0.00000
     34      43.4644      0.00000
     35      44.8123      0.00000
     36      45.3577      0.00000
     37      46.3424      0.00000
     38      47.5419      0.00000
     39      47.9632      0.00000
     40      50.1392      0.00000
     41      52.3966      0.00000
     42      52.6310      0.00000
     43      53.2028      0.00000
     44      53.6480      0.00000
     45      53.8698      0.00000
     46      55.3491      0.00000
     47      57.7280      0.00000
     48      58.3843      0.00000

 k-point    28 :      -0.2308    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -4.9343      1.00000
      2       1.2534      1.00000
      3       3.0704      1.00000
      4       4.9705      1.00000
      5       8.5562      0.00000
      6       9.5256      0.00000
      7       9.7234      0.00000
      8      11.6471      0.00000
      9      11.9426      0.00000
     10      15.8397      0.00000
     11      16.1368      0.00000
     12      17.7319      0.00000
     13      19.5529      0.00000
     14      20.6875      0.00000
     15      22.3586      0.00000
     16      23.9010      0.00000
     17      24.9322      0.00000
     18      26.8910      0.00000
     19      27.4556      0.00000
     20      28.1896      0.00000
     21      31.7406      0.00000
     22      32.2275      0.00000
     23      33.1314      0.00000
     24      34.8052      0.00000
     25      35.2033      0.00000
     26      36.2247      0.00000
     27      36.8293      0.00000
     28      38.2555      0.00000
     29      39.5478      0.00000
     30      39.8036      0.00000
     31      40.0599      0.00000
     32      42.1828      0.00000
     33      43.7485      0.00000
     34      43.8473      0.00000
     35      44.1841      0.00000
     36      45.2239      0.00000
     37      46.0574      0.00000
     38      46.6088      0.00000
     39      47.9043      0.00000
     40      49.5697      0.00000
     41      51.3745      0.00000
     42      51.4006      0.00000
     43      52.6832      0.00000
     44      53.1879      0.00000
     45      53.6023      0.00000
     46      53.8488      0.00000
     47      56.2839      0.00000
     48      56.5213      0.00000

 k-point    29 :      -0.1538    0.1538   -0.0000
  band No.  band energies     occupation 
      1      -5.3963      1.00000
      2       2.3423      1.00000
      3       3.5581      1.00000
      4       5.2907      1.00000
      5       8.7638      0.00000
      6       9.1245      0.00000
      7       9.3786      0.00000
      8      11.3247      0.00000
      9      11.8339      0.00000
     10      14.6076      0.00000
     11      15.8496      0.00000
     12      16.9808      0.00000
     13      18.6514      0.00000
     14      21.2229      0.00000
     15      21.8554      0.00000
     16      24.2808      0.00000
     17      26.2698      0.00000
     18      26.4893      0.00000
     19      26.6923      0.00000
     20      28.3651      0.00000
     21      32.2684      0.00000
     22      32.4825      0.00000
     23      34.6381      0.00000
     24      35.0683      0.00000
     25      36.3753      0.00000
     26      36.8809      0.00000
     27      37.7572      0.00000
     28      39.1623      0.00000
     29      39.6754      0.00000
     30      39.8701      0.00000
     31      40.5324      0.00000
     32      41.1125      0.00000
     33      44.4511      0.00000
     34      44.5061      0.00000
     35      44.6146      0.00000
     36      45.8503      0.00000
     37      46.1340      0.00000
     38      46.7930      0.00000
     39      48.1875      0.00000
     40      49.4689      0.00000
     41      50.2244      0.00000
     42      50.5332      0.00000
     43      52.2417      0.00000
     44      52.3379      0.00000
     45      52.5443      0.00000
     46      53.7683      0.00000
     47      54.0020      0.00000
     48      54.7924      0.00000

 k-point    30 :       0.2308    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -5.2851      1.00000
      2       2.5855      1.00000
      3       4.0062      1.00000
      4       4.0062      1.00000
      5       6.9216      0.00000
      6       9.0831      0.00000
      7      11.1401      0.00000
      8      11.1401      0.00000
      9      13.3595      0.00000
     10      14.4769      0.00000
     11      16.5714      0.00000
     12      18.4088      0.00000
     13      18.4088      0.00000
     14      19.0261      0.00000
     15      23.4814      0.00000
     16      23.4814      0.00000
     17      24.5710      0.00000
     18      25.9381      0.00000
     19      26.3763      0.00000
     20      30.1610      0.00000
     21      32.1300      0.00000
     22      33.0371      0.00000
     23      33.0371      0.00000
     24      35.6027      0.00000
     25      35.6027      0.00000
     26      35.8102      0.00000
     27      36.7188      0.00000
     28      40.0311      0.00000
     29      40.3893      0.00000
     30      40.3893      0.00000
     31      40.9351      0.00000
     32      42.8253      0.00000
     33      43.3921      0.00000
     34      43.3921      0.00000
     35      46.5604      0.00000
     36      46.5604      0.00000
     37      46.6245      0.00000
     38      46.6465      0.00000
     39      46.7816      0.00000
     40      49.6135      0.00000
     41      49.6135      0.00000
     42      50.0988      0.00000
     43      51.5007      0.00000
     44      52.7758      0.00000
     45      52.7758      0.00000
     46      54.1176      0.00000
     47      54.9489      0.00000
     48      55.9083      0.00000

 k-point    31 :       0.3077    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -4.9096      1.00000
      2       1.7205      1.00000
      3       3.5957      1.00000
      4       3.7531      1.00000
      5       6.9663      0.00000
      6       8.6978      0.00000
      7      11.4147      0.00000
      8      11.6217      0.00000
      9      14.5078      0.00000
     10      14.9065      0.00000
     11      17.1502      0.00000
     12      18.5027      0.00000
     13      19.0561      0.00000
     14      20.2945      0.00000
     15      21.9770      0.00000
     16      22.4688      0.00000
     17      24.3709      0.00000
     18      25.9505      0.00000
     19      26.9955      0.00000
     20      30.2740      0.00000
     21      31.4209      0.00000
     22      32.5983      0.00000
     23      32.8376      0.00000
     24      34.6256      0.00000
     25      34.7817      0.00000
     26      35.1040      0.00000
     27      35.9096      0.00000
     28      39.7848      0.00000
     29      39.9241      0.00000
     30      41.4938      0.00000
     31      41.8435      0.00000
     32      42.0485      0.00000
     33      42.6867      0.00000
     34      42.9223      0.00000
     35      45.8135      0.00000
     36      46.2749      0.00000
     37      46.4032      0.00000
     38      47.2605      0.00000
     39      48.2103      0.00000
     40      48.6672      0.00000
     41      49.6208      0.00000
     42      50.6841      0.00000
     43      52.3817      0.00000
     44      52.7774      0.00000
     45      53.1112      0.00000
     46      54.1823      0.00000
     47      54.3104      0.00000
     48      56.2739      0.00000

 k-point    32 :       0.3846    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -4.4070      1.00000
      2       0.7083      1.00000
      3       3.0417      1.00000
      4       3.6153      1.00000
      5       7.1906      0.00000
      6       8.9672      0.00000
      7      11.2931      0.00000
      8      11.6618      0.00000
      9      15.7532      0.00000
     10      16.0193      0.00000
     11      16.8633      0.00000
     12      18.7679      0.00000
     13      19.2491      0.00000
     14      20.5590      0.00000
     15      21.6352      0.00000
     16      23.0077      0.00000
     17      24.6464      0.00000
     18      25.5904      0.00000
     19      27.3294      0.00000
     20      29.5767      0.00000
     21      30.5634      0.00000
     22      31.8462      0.00000
     23      32.2016      0.00000
     24      33.1433      0.00000
     25      34.6129      0.00000
     26      35.3720      0.00000
     27      36.3248      0.00000
     28      38.1774      0.00000
     29      38.6718      0.00000
     30      40.6092      0.00000
     31      41.9955      0.00000
     32      42.3843      0.00000
     33      42.5318      0.00000
     34      42.8803      0.00000
     35      44.7127      0.00000
     36      45.4933      0.00000
     37      48.1468      0.00000
     38      48.1819      0.00000
     39      48.8209      0.00000
     40      49.9158      0.00000
     41      50.5923      0.00000
     42      50.7877      0.00000
     43      52.5550      0.00000
     44      52.7394      0.00000
     45      53.5043      0.00000
     46      53.9351      0.00000
     47      54.3005      0.00000
     48      57.7305      0.00000

 k-point    33 :       0.4615    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.8254      1.00000
      2      -0.2610      1.00000
      3       2.5325      1.00000
      4       3.6005      1.00000
      5       7.2629      0.00000
      6       9.9248      0.00000
      7      11.1217      0.00000
      8      11.4379      0.00000
      9      16.1673      0.00000
     10      16.8517      0.00000
     11      17.2997      0.00000
     12      17.6097      0.00000
     13      18.6503      0.00000
     14      21.6984      0.00000
     15      22.9750      0.00000
     16      24.5757      0.00000
     17      24.7213      0.00000
     18      25.0444      0.00000
     19      26.6619      0.00000
     20      28.2951      0.00000
     21      30.0514      0.00000
     22      31.5166      0.00000
     23      31.7298      0.00000
     24      32.6592      0.00000
     25      34.7505      0.00000
     26      35.4316      0.00000
     27      35.6704      0.00000
     28      36.4718      0.00000
     29      38.0643      0.00000
     30      40.0366      0.00000
     31      41.3244      0.00000
     32      41.9680      0.00000
     33      42.2885      0.00000
     34      42.6654      0.00000
     35      44.5334      0.00000
     36      46.1065      0.00000
     37      48.6196      0.00000
     38      50.1032      0.00000
     39      50.1412      0.00000
     40      50.5048      0.00000
     41      50.7659      0.00000
     42      51.0407      0.00000
     43      51.6019      0.00000
     44      53.6290      0.00000
     45      53.9300      0.00000
     46      55.2006      0.00000
     47      56.0643      0.00000
     48      57.7091      0.00000

 k-point    34 :      -0.4615    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.3341      1.00000
      2      -0.9510      1.00000
      3       2.1493      1.00000
      4       3.7081      1.00000
      5       7.3659      0.00000
      6      10.8352      0.00000
      7      11.1619      0.00000
      8      11.4066      0.00000
      9      15.1374      0.00000
     10      15.3859      0.00000
     11      17.9036      0.00000
     12      18.5698      0.00000
     13      19.2300      0.00000
     14      22.8432      0.00000
     15      23.8689      0.00000
     16      24.2422      0.00000
     17      24.4347      0.00000
     18      25.8789      0.00000
     19      25.8831      0.00000
     20      28.2017      0.00000
     21      29.5731      0.00000
     22      31.0974      0.00000
     23      31.4142      0.00000
     24      33.1688      0.00000
     25      33.4423      0.00000
     26      34.9559      0.00000
     27      35.4396      0.00000
     28      36.4865      0.00000
     29      37.0604      0.00000
     30      39.6700      0.00000
     31      41.1815      0.00000
     32      41.7425      0.00000
     33      42.4333      0.00000
     34      42.5984      0.00000
     35      44.1714      0.00000
     36      46.5857      0.00000
     37      48.8568      0.00000
     38      49.4784      0.00000
     39      49.9026      0.00000
     40      50.5329      0.00000
     41      52.0881      0.00000
     42      52.7470      0.00000
     43      52.9060      0.00000
     44      53.9741      0.00000
     45      54.3079      0.00000
     46      55.9258      0.00000
     47      57.8590      0.00000
     48      58.1742      0.00000

 k-point    35 :      -0.3846    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.3581      1.00000
      2      -0.9117      1.00000
      3       1.9268      1.00000
      4       3.9297      1.00000
      5       7.5886      0.00000
      6      10.8148      0.00000
      7      10.9149      0.00000
      8      12.8615      0.00000
      9      13.8364      0.00000
     10      13.8431      0.00000
     11      17.7529      0.00000
     12      20.2391      0.00000
     13      20.6107      0.00000
     14      21.3915      0.00000
     15      22.3143      0.00000
     16      24.5612      0.00000
     17      25.3230      0.00000
     18      25.6436      0.00000
     19      27.3766      0.00000
     20      27.6118      0.00000
     21      30.5127      0.00000
     22      31.3908      0.00000
     23      31.5770      0.00000
     24      31.8082      0.00000
     25      33.2258      0.00000
     26      34.2615      0.00000
     27      35.0133      0.00000
     28      36.2195      0.00000
     29      38.5091      0.00000
     30      39.6095      0.00000
     31      41.5386      0.00000
     32      41.6157      0.00000
     33      42.4498      0.00000
     34      42.6013      0.00000
     35      43.9086      0.00000
     36      46.1558      0.00000
     37      48.0596      0.00000
     38      48.3712      0.00000
     39      49.8369      0.00000
     40      50.5160      0.00000
     41      53.1465      0.00000
     42      54.0538      0.00000
     43      54.3465      0.00000
     44      54.8133      0.00000
     45      54.8142      0.00000
     46      54.9442      0.00000
     47      56.7086      0.00000
     48      58.6488      0.00000

 k-point    36 :      -0.3077    0.2308   -0.0000
  band No.  band energies     occupation 
      1      -3.8645      1.00000
      2      -0.2006      1.00000
      3       1.9121      1.00000
      4       4.2464      1.00000
      5       7.9283      0.00000
      6      10.6530      0.00000
      7      10.7747      0.00000
      8      12.4652      0.00000
      9      12.6104      0.00000
     10      14.5273      0.00000
     11      17.9324      0.00000
     12      19.7099      0.00000
     13      19.9939      0.00000
     14      21.9245      0.00000
     15      22.2682      0.00000
     16      23.4756      0.00000
     17      24.4852      0.00000
     18      26.7271      0.00000
     19      28.1074      0.00000
     20      28.5547      0.00000
     21      30.1341      0.00000
     22      31.2540      0.00000
     23      32.0684      0.00000
     24      32.0928      0.00000
     25      33.5898      0.00000
     26      34.4405      0.00000
     27      34.9946      0.00000
     28      36.7076      0.00000
     29      39.7653      0.00000
     30      39.7666      0.00000
     31      41.5339      0.00000
     32      42.2324      0.00000
     33      42.6575      0.00000
     34      42.7899      0.00000
     35      43.8034      0.00000
     36      45.2618      0.00000
     37      45.6332      0.00000
     38      48.1603      0.00000
     39      49.4984      0.00000
     40      50.6738      0.00000
     41      52.9087      0.00000
     42      53.0447      0.00000
     43      54.2944      0.00000
     44      55.0366      0.00000
     45      55.3012      0.00000
     46      56.0459      0.00000
     47      56.2284      0.00000
     48      58.2942      0.00000

 k-point    37 :      -0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1      -4.4405      1.00000
      2       0.6393      1.00000
      3       2.2352      1.00000
      4       4.6194      1.00000
      5       8.3241      0.00000
      6      10.1741      0.00000
      7      10.4827      0.00000
      8      11.6133      0.00000
      9      11.9635      0.00000
     10      15.9202      0.00000
     11      17.7659      0.00000
     12      18.1038      0.00000
     13      18.9956      0.00000
     14      21.5178      0.00000
     15      22.8899      0.00000
     16      23.4499      0.00000
     17      24.8464      0.00000
     18      26.5802      0.00000
     19      27.2451      0.00000
     20      29.3421      0.00000
     21      30.3500      0.00000
     22      31.5106      0.00000
     23      33.1088      0.00000
     24      33.2862      0.00000
     25      33.6310      0.00000
     26      35.1117      0.00000
     27      36.6072      0.00000
     28      37.5568      0.00000
     29      39.3051      0.00000
     30      39.8962      0.00000
     31      41.6843      0.00000
     32      42.1587      0.00000
     33      43.3060      0.00000
     34      43.6441      0.00000
     35      44.0865      0.00000
     36      44.3448      0.00000
     37      44.5666      0.00000
     38      47.3981      0.00000
     39      49.0947      0.00000
     40      50.7637      0.00000
     41      51.2864      0.00000
     42      51.6372      0.00000
     43      53.9191      0.00000
     44      54.2877      0.00000
     45      55.4336      0.00000
     46      55.5489      0.00000
     47      55.9321      0.00000
     48      57.5367      0.00000

 k-point    38 :       0.3077    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -4.5794      1.00000
      2       1.2058      1.00000
      3       3.4714      1.00000
      4       3.4714      1.00000
      5       6.4875      0.00000
      6       7.9590      0.00000
      7      12.5069      0.00000
      8      12.5069      0.00000
      9      14.9731      0.00000
     10      15.2745      0.00000
     11      18.1705      0.00000
     12      19.1753      0.00000
     13      19.1753      0.00000
     14      20.2128      0.00000
     15      22.0810      0.00000
     16      22.0810      0.00000
     17      22.5352      0.00000
     18      25.0969      0.00000
     19      28.0277      0.00000
     20      30.8882      0.00000
     21      31.8629      0.00000
     22      31.9127      0.00000
     23      31.9127      0.00000
     24      33.7271      0.00000
     25      33.9313      0.00000
     26      34.4688      0.00000
     27      34.4688      0.00000
     28      40.6473      0.00000
     29      40.9562      0.00000
     30      41.6897      0.00000
     31      41.6897      0.00000
     32      42.2556      0.00000
     33      43.2401      0.00000
     34      43.2401      0.00000
     35      45.8780      0.00000
     36      45.8780      0.00000
     37      45.8918      0.00000
     38      47.1589      0.00000
     39      48.4806      0.00000
     40      48.6432      0.00000
     41      49.1924      0.00000
     42      49.1924      0.00000
     43      52.2163      0.00000
     44      53.2299      0.00000
     45      53.8427      0.00000
     46      53.8427      0.00000
     47      56.1838      0.00000
     48      58.2405      0.00000

 k-point    39 :       0.3846    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -4.1162      1.00000
      2       0.4521      1.00000
      3       3.0253      1.00000
      4       3.3043      1.00000
      5       6.6043      0.00000
      6       7.7405      0.00000
      7      12.8119      0.00000
      8      12.9009      0.00000
      9      15.9948      0.00000
     10      16.1652      0.00000
     11      18.0600      0.00000
     12      18.7678      0.00000
     13      19.7714      0.00000
     14      20.4534      0.00000
     15      21.5024      0.00000
     16      22.5889      0.00000
     17      22.7411      0.00000
     18      24.9222      0.00000
     19      28.4071      0.00000
     20      29.2607      0.00000
     21      30.7711      0.00000
     22      30.8366      0.00000
     23      32.0253      0.00000
     24      32.8814      0.00000
     25      33.4643      0.00000
     26      34.5917      0.00000
     27      35.6045      0.00000
     28      39.4512      0.00000
     29      40.1637      0.00000
     30      41.0044      0.00000
     31      41.7078      0.00000
     32      42.1334      0.00000
     33      43.9189      0.00000
     34      44.0518      0.00000
     35      45.1939      0.00000
     36      46.1430      0.00000
     37      46.4133      0.00000
     38      46.8122      0.00000
     39      47.9298      0.00000
     40      49.2839      0.00000
     41      50.3399      0.00000
     42      50.4476      0.00000
     43      50.8518      0.00000
     44      53.4460      0.00000
     45      54.1038      0.00000
     46      54.6995      0.00000
     47      56.4008      0.00000
     48      58.5096      0.00000

 k-point    40 :       0.4615    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -3.5511      1.00000
      2      -0.3319      1.00000
      3       2.3549      1.00000
      4       3.2624      1.00000
      5       6.7909      0.00000
      6       8.3349      0.00000
      7      12.7151      0.00000
      8      12.7976      0.00000
      9      16.8787      0.00000
     10      17.1415      0.00000
     11      17.3245      0.00000
     12      17.7760      0.00000
     13      19.8933      0.00000
     14      21.0837      0.00000
     15      21.9867      0.00000
     16      23.6387      0.00000
     17      24.0609      0.00000
     18      25.2262      0.00000
     19      26.8371      0.00000
     20      28.1591      0.00000
     21      29.7925      0.00000
     22      30.3054      0.00000
     23      30.5216      0.00000
     24      33.0125      0.00000
     25      34.0576      0.00000
     26      34.8119      0.00000
     27      37.0959      0.00000
     28      37.8385      0.00000
     29      38.1932      0.00000
     30      40.3537      0.00000
     31      41.4641      0.00000
     32      42.3426      0.00000
     33      42.7062      0.00000
     34      44.3857      0.00000
     35      44.4881      0.00000
     36      46.4556      0.00000
     37      47.2092      0.00000
     38      48.1971      0.00000
     39      48.8982      0.00000
     40      49.5461      0.00000
     41      49.9304      0.00000
     42      51.9802      0.00000
     43      52.3127      0.00000
     44      53.9501      0.00000
     45      54.6361      0.00000
     46      55.4376      0.00000
     47      55.6773      0.00000
     48      58.4998      0.00000

 k-point    41 :      -0.4615    0.3077    0.0000
  band No.  band energies     occupation 
      1      -2.9936      1.00000
      2      -0.9973      1.00000
      3       1.7658      1.00000
      4       3.3475      1.00000
      5       6.9073      0.00000
      6       9.5418      0.00000
      7      12.5162      0.00000
      8      12.5521      0.00000
      9      15.4424      0.00000
     10      15.4966      0.00000
     11      18.8100      0.00000
     12      19.3307      0.00000
     13      19.5596      0.00000
     14      22.4431      0.00000
     15      22.5518      0.00000
     16      24.0086      0.00000
     17      24.7984      0.00000
     18      25.1548      0.00000
     19      25.6601      0.00000
     20      28.7298      0.00000
     21      29.1427      0.00000
     22      29.1507      0.00000
     23      29.8414      0.00000
     24      33.0889      0.00000
     25      34.6514      0.00000
     26      34.9671      0.00000
     27      35.3306      0.00000
     28      37.2542      0.00000
     29      38.3193      0.00000
     30      40.0432      0.00000
     31      41.0003      0.00000
     32      41.1197      0.00000
     33      43.0200      0.00000
     34      43.8627      0.00000
     35      44.6223      0.00000
     36      45.8975      0.00000
     37      48.2790      0.00000
     38      48.6134      0.00000
     39      49.9574      0.00000
     40      50.2541      0.00000
     41      51.4934      0.00000
     42      51.8802      0.00000
     43      53.1221      0.00000
     44      54.4888      0.00000
     45      55.6544      0.00000
     46      56.2636      0.00000
     47      56.9127      0.00000
     48      57.9286      0.00000

 k-point    42 :      -0.3846    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -2.8477      1.00000
      2      -1.1455      1.00000
      3       1.4049      1.00000
      4       3.5536      1.00000
      5       7.1316      0.00000
      6      10.9911      0.00000
      7      12.1840      0.00000
      8      12.4453      0.00000
      9      13.9189      0.00000
     10      13.9546      0.00000
     11      19.4869      0.00000
     12      20.4999      0.00000
     13      20.6680      0.00000
     14      21.9285      0.00000
     15      22.6444      0.00000
     16      23.6391      0.00000
     17      23.9729      0.00000
     18      25.5699      0.00000
     19      27.0758      0.00000
     20      27.9212      0.00000
     21      28.9608      0.00000
     22      29.6205      0.00000
     23      31.1518      0.00000
     24      32.9179      0.00000
     25      33.3670      0.00000
     26      34.5393      0.00000
     27      35.0480      0.00000
     28      35.6198      0.00000
     29      39.7380      0.00000
     30      40.0026      0.00000
     31      40.8658      0.00000
     32      41.2344      0.00000
     33      42.8820      0.00000
     34      43.4266      0.00000
     35      44.7114      0.00000
     36      44.7434      0.00000
     37      48.6977      0.00000
     38      48.9624      0.00000
     39      49.2485      0.00000
     40      51.7965      0.00000
     41      51.9165      0.00000
     42      53.2469      0.00000
     43      54.0432      0.00000
     44      54.3691      0.00000
     45      55.8237      0.00000
     46      56.5505      0.00000
     47      57.1394      0.00000
     48      58.7823      0.00000

 k-point    43 :      -0.3077    0.3077   -0.0000
  band No.  band energies     occupation 
      1      -3.2945      1.00000
      2      -0.6715      1.00000
      3       1.3983      1.00000
      4       3.8647      1.00000
      5       7.4872      0.00000
      6      11.6203      0.00000
      7      11.8247      0.00000
      8      12.6526      0.00000
      9      12.9081      0.00000
     10      12.9683      0.00000
     11      19.3999      0.00000
     12      19.9473      0.00000
     13      21.4298      0.00000
     14      21.8877      0.00000
     15      22.3542      0.00000
     16      22.9859      0.00000
     17      24.1896      0.00000
     18      25.7326      0.00000
     19      27.8870      0.00000
     20      29.0004      0.00000
     21      29.1239      0.00000
     22      30.3460      0.00000
     23      31.1214      0.00000
     24      33.4084      0.00000
     25      33.5679      0.00000
     26      33.6998      0.00000
     27      34.6402      0.00000
     28      34.9931      0.00000
     29      39.9457      0.00000
     30      40.6596      0.00000
     31      41.0523      0.00000
     32      42.1451      0.00000
     33      42.7005      0.00000
     34      43.3135      0.00000
     35      43.8803      0.00000
     36      44.2907      0.00000
     37      46.6375      0.00000
     38      49.0000      0.00000
     39      50.0808      0.00000
     40      51.2319      0.00000
     41      53.4025      0.00000
     42      53.4950      0.00000
     43      54.5367      0.00000
     44      54.8527      0.00000
     45      55.1659      0.00000
     46      56.2964      0.00000
     47      56.4577      0.00000
     48      58.2619      0.00000

 k-point    44 :       0.3846    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -3.6916      1.00000
      2      -0.1532      1.00000
      3       3.1041      1.00000
      4       3.1041      1.00000
      5       6.2520      0.00000
      6       7.0914      0.00000
      7      13.9284      0.00000
      8      13.9284      0.00000
      9      16.2968      0.00000
     10      16.5914      0.00000
     11      18.5577      0.00000
     12      18.5577      0.00000
     13      19.3044      0.00000
     14      20.6700      0.00000
     15      21.7394      0.00000
     16      22.5894      0.00000
     17      22.5894      0.00000
     18      24.4726      0.00000
     19      28.7325      0.00000
     20      29.3675      0.00000
     21      29.3675      0.00000
     22      29.3687      0.00000
     23      30.6948      0.00000
     24      32.7085      0.00000
     25      34.7614      0.00000
     26      34.7614      0.00000
     27      34.9610      0.00000
     28      40.5778      0.00000
     29      40.5778      0.00000
     30      40.8825      0.00000
     31      41.2458      0.00000
     32      41.8190      0.00000
     33      44.9554      0.00000
     34      45.3185      0.00000
     35      45.3185      0.00000
     36      45.4393      0.00000
     37      45.4393      0.00000
     38      46.5948      0.00000
     39      47.7200      0.00000
     40      48.7293      0.00000
     41      49.2832      0.00000
     42      49.2832      0.00000
     43      51.2472      0.00000
     44      54.8420      0.00000
     45      54.8420      0.00000
     46      55.4299      0.00000
     47      58.2930      0.00000
     48      59.3648      0.00000

 k-point    45 :       0.4615    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -0.8235      1.00000
      3       2.6860      1.00000
      4       3.0287      1.00000
      5       6.4301      0.00000
      6       7.0969      0.00000
      7      14.2313      0.00000
      8      14.2596      0.00000
      9      17.2075      0.00000
     10      17.2828      0.00000
     11      17.3533      0.00000
     12      17.8432      0.00000
     13      20.0037      0.00000
     14      20.3456      0.00000
     15      21.8256      0.00000
     16      23.6303      0.00000
     17      23.9658      0.00000
     18      24.9198      0.00000
     19      26.8437      0.00000
     20      28.1812      0.00000
     21      28.5079      0.00000
     22      29.5838      0.00000
     23      29.7404      0.00000
     24      31.8346      0.00000
     25      34.9592      0.00000
     26      35.2983      0.00000
     27      36.9031      0.00000
     28      39.0093      0.00000
     29      39.9542      0.00000
     30      40.3021      0.00000
     31      41.3784      0.00000
     32      41.9841      0.00000
     33      44.2678      0.00000
     34      44.8011      0.00000
     35      45.1273      0.00000
     36      45.7983      0.00000
     37      45.9237      0.00000
     38      46.6978      0.00000
     39      47.7246      0.00000
     40      48.3122      0.00000
     41      49.7973      0.00000
     42      50.9428      0.00000
     43      52.8836      0.00000
     44      54.5574      0.00000
     45      54.9260      0.00000
     46      56.6511      0.00000
     47      57.9400      0.00000
     48      59.9329      0.00000

 k-point    46 :      -0.4615    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -2.5675      1.00000
      2      -1.4248      1.00000
      3       2.0128      1.00000
      4       3.0824      1.00000
      5       6.5756      0.00000
      6       8.0250      0.00000
      7      14.0089      0.00000
      8      14.1825      0.00000
      9      15.6611      0.00000
     10      15.7197      0.00000
     11      18.8471      0.00000
     12      19.2329      0.00000
     13      20.5315      0.00000
     14      20.8468      0.00000
     15      21.7483      0.00000
     16      23.8814      0.00000
     17      25.0566      0.00000
     18      25.1232      0.00000
     19      26.7922      0.00000
     20      27.3314      0.00000
     21      28.0298      0.00000
     22      28.7987      0.00000
     23      29.5938      0.00000
     24      31.1084      0.00000
     25      35.0937      0.00000
     26      36.0630      0.00000
     27      37.2931      0.00000
     28      37.6345      0.00000
     29      39.2397      0.00000
     30      40.0755      0.00000
     31      40.9859      0.00000
     32      42.0809      0.00000
     33      42.4258      0.00000
     34      44.0518      0.00000
     35      44.8605      0.00000
     36      46.0490      0.00000
     37      46.4996      0.00000
     38      48.3513      0.00000
     39      48.8769      0.00000
     40      49.0292      0.00000
     41      50.5913      0.00000
     42      52.5212      0.00000
     43      53.3379      0.00000
     44      54.3807      0.00000
     45      55.5446      0.00000
     46      57.2859      0.00000
     47      57.6876      0.00000
     48      59.5058      0.00000

 k-point    47 :      -0.3846    0.3846   -0.0000
  band No.  band energies     occupation 
      1      -2.3872      1.00000
      2      -1.5574      1.00000
      3       1.4892      1.00000
      4       3.2616      1.00000
      5       6.7831      0.00000
      6       9.4168      0.00000
      7      13.4128      0.00000
      8      13.9454      0.00000
      9      14.1044      0.00000
     10      14.4176      0.00000
     11      20.2222      0.00000
     12      20.4104      0.00000
     13      20.9008      0.00000
     14      21.5379      0.00000
     15      21.6248      0.00000
     16      22.4669      0.00000
     17      25.4898      0.00000
     18      25.7872      0.00000
     19      26.9165      0.00000
     20      26.9582      0.00000
     21      28.2661      0.00000
     22      28.8177      0.00000
     23      30.4225      0.00000
     24      31.2128      0.00000
     25      35.1147      0.00000
     26      35.1873      0.00000
     27      35.4457      0.00000
     28      36.9048      0.00000
     29      40.2772      0.00000
     30      40.5131      0.00000
     31      40.5706      0.00000
     32      40.9116      0.00000
     33      42.0884      0.00000
     34      43.4649      0.00000
     35      44.6792      0.00000
     36      45.9100      0.00000
     37      48.2648      0.00000
     38      48.5332      0.00000
     39      49.6834      0.00000
     40      50.1213      0.00000
     41      51.5226      0.00000
     42      52.2353      0.00000
     43      54.6636      0.00000
     44      54.6663      0.00000
     45      55.8977      0.00000
     46      57.2054      0.00000
     47      57.7076      0.00000
     48      57.8578      0.00000

 k-point    48 :       0.4615    0.4615   -0.0000
  band No.  band energies     occupation 
      1      -2.6395      1.00000
      2      -1.4486      1.00000
      3       2.9177      1.00000
      4       2.9177      1.00000
      5       6.2551      0.00000
      6       6.5269      0.00000
      7      15.3539      0.00000
      8      15.3539      0.00000
      9      17.1417      0.00000
     10      17.1417      0.00000
     11      17.5404      0.00000
     12      18.0619      0.00000
     13      19.0007      0.00000
     14      19.1660      0.00000
     15      23.5604      0.00000
     16      24.4196      0.00000
     17      24.4196      0.00000
     18      24.8453      0.00000
     19      26.8132      0.00000
     20      26.8132      0.00000
     21      26.8930      0.00000
     22      28.0295      0.00000
     23      30.6320      0.00000
     24      31.6575      0.00000
     25      35.0922      0.00000
     26      35.0922      0.00000
     27      38.3153      0.00000
     28      39.8900      0.00000
     29      39.8900      0.00000
     30      40.8044      0.00000
     31      41.3644      0.00000
     32      41.5292      0.00000
     33      44.0244      0.00000
     34      44.3278      0.00000
     35      45.1893      0.00000
     36      45.1893      0.00000
     37      46.2014      0.00000
     38      46.2014      0.00000
     39      47.3777      0.00000
     40      47.4981      0.00000
     41      50.3387      0.00000
     42      50.3387      0.00000
     43      54.4330      0.00000
     44      54.7650      0.00000
     45      54.7650      0.00000
     46      57.6316      0.00000
     47      57.9865      0.00000
     48      59.9616      0.00000

 k-point    49 :      -0.4615    0.4615   -0.0000
  band No.  band energies     occupation 
      1      -2.0816      1.00000
      2      -2.0035      1.00000
      3       2.5736      1.00000
      4       2.9360      1.00000
      5       6.4041      0.00000
      6       6.8481      0.00000
      7      15.3158      0.00000
      8      15.5131      0.00000
      9      16.0493      0.00000
     10      16.1766      0.00000
     11      18.7410      0.00000
     12      18.7655      0.00000
     13      18.9602      0.00000
     14      19.4074      0.00000
     15      23.6909      0.00000
     16      23.9385      0.00000
     17      25.2754      0.00000
     18      25.4773      0.00000
     19      25.9730      0.00000
     20      26.5604      0.00000
     21      27.2598      0.00000
     22      27.7141      0.00000
     23      30.3793      0.00000
     24      31.0087      0.00000
     25      35.1432      0.00000
     26      35.8322      0.00000
     27      38.1534      0.00000
     28      39.7455      0.00000
     29      39.9247      0.00000
     30      40.1130      0.00000
     31      41.0498      0.00000
     32      41.2865      0.00000
     33      43.8322      0.00000
     34      44.5515      0.00000
     35      44.5854      0.00000
     36      44.7871      0.00000
     37      46.3163      0.00000
     38      46.5959      0.00000
     39      47.9002      0.00000
     40      48.5095      0.00000
     41      50.6476      0.00000
     42      51.2877      0.00000
     43      53.6372      0.00000
     44      54.5592      0.00000
     45      56.0717      0.00000
     46      57.0489      0.00000
     47      58.9883      0.00000
     48      59.0861      0.00000

 k-point    50 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
      1      -5.6960      1.00000
      2       3.2794      1.00000
      3       4.2815      1.00000
      4       5.1442      1.00000
      5       8.0386      0.00000
      6       9.1794      0.00000
      7       9.6849      0.00000
      8      10.6672      0.00000
      9      12.4184      0.00000
     10      13.7243      0.00000
     11      15.2853      0.00000
     12      16.9418      0.00000
     13      17.8491      0.00000
     14      19.5342      0.00000
     15      23.7554      0.00000
     16      23.8908      0.00000
     17      25.6459      0.00000
     18      27.1809      0.00000
     19      28.1089      0.00000
     20      28.3658      0.00000
     21      31.6923      0.00000
     22      33.0678      0.00000
     23      33.8462      0.00000
     24      36.4061      0.00000
     25      36.8862      0.00000
     26      37.5157      0.00000
     27      38.0885      0.00000
     28      39.1680      0.00000
     29      39.5108      0.00000
     30      39.5694      0.00000
     31      41.5308      0.00000
     32      42.1329      0.00000
     33      44.4599      0.00000
     34      44.8110      0.00000
     35      45.3412      0.00000
     36      46.2709      0.00000
     37      47.3140      0.00000
     38      47.7726      0.00000
     39      48.2888      0.00000
     40      49.4354      0.00000
     41      49.4531      0.00000
     42      50.8208      0.00000
     43      50.8350      0.00000
     44      51.6151      0.00000
     45      52.3108      0.00000
     46      52.5495      0.00000
     47      53.5751      0.00000
     48      55.1714      0.00000

 k-point    51 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
      1      -5.3205      1.00000
      2       2.1119      1.00000
      3       3.7766      1.00000
      4       4.9052      1.00000
      5       8.2850      0.00000
      6       9.1564      0.00000
      7      10.0957      0.00000
      8      10.6464      0.00000
      9      12.8417      0.00000
     10      14.5560      0.00000
     11      15.7292      0.00000
     12      17.3188      0.00000
     13      18.9766      0.00000
     14      20.9860      0.00000
     15      21.9349      0.00000
     16      24.0837      0.00000
     17      25.0999      0.00000
     18      26.7137      0.00000
     19      27.4356      0.00000
     20      28.5274      0.00000
     21      31.5581      0.00000
     22      32.9904      0.00000
     23      34.0725      0.00000
     24      35.2319      0.00000
     25      36.3623      0.00000
     26      36.8575      0.00000
     27      37.7899      0.00000
     28      38.9640      0.00000
     29      39.0590      0.00000
     30      39.5939      0.00000
     31      40.7993      0.00000
     32      41.4254      0.00000
     33      43.6238      0.00000
     34      44.8168      0.00000
     35      45.1822      0.00000
     36      45.4316      0.00000
     37      46.3450      0.00000
     38      47.1821      0.00000
     39      48.2804      0.00000
     40      49.8339      0.00000
     41      49.8820      0.00000
     42      50.8327      0.00000
     43      51.2398      0.00000
     44      51.9148      0.00000
     45      52.7655      0.00000
     46      54.1919      0.00000
     47      54.3576      0.00000
     48      55.9748      0.00000

 k-point    52 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
      1      -4.8174      1.00000
      2       0.8621      1.00000
      3       3.5009      1.00000
      4       4.5986      1.00000
      5       8.3286      0.00000
      6       9.0952      0.00000
      7      10.1873      0.00000
      8      11.1008      0.00000
      9      13.5407      0.00000
     10      15.4244      0.00000
     11      15.8732      0.00000
     12      18.3475      0.00000
     13      19.6248      0.00000
     14      21.2009      0.00000
     15      21.6884      0.00000
     16      23.5475      0.00000
     17      24.4294      0.00000
     18      27.3076      0.00000
     19      27.8177      0.00000
     20      28.9165      0.00000
     21      31.1600      0.00000
     22      31.3681      0.00000
     23      33.2982      0.00000
     24      34.7096      0.00000
     25      35.6512      0.00000
     26      36.1794      0.00000
     27      37.1607      0.00000
     28      37.3205      0.00000
     29      38.6223      0.00000
     30      39.0951      0.00000
     31      40.4437      0.00000
     32      42.5785      0.00000
     33      42.9249      0.00000
     34      43.7825      0.00000
     35      44.4830      0.00000
     36      45.5856      0.00000
     37      46.8673      0.00000
     38      47.1016      0.00000
     39      48.3199      0.00000
     40      50.0469      0.00000
     41      50.1837      0.00000
     42      51.2991      0.00000
     43      52.3735      0.00000
     44      52.6485      0.00000
     45      54.1310      0.00000
     46      54.6688      0.00000
     47      56.1874      0.00000
     48      56.5257      0.00000

 k-point    53 :       0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -4.2366      1.00000
      2      -0.2541      1.00000
      3       3.3527      1.00000
      4       4.3383      1.00000
      5       8.2495      0.00000
      6       8.9420      0.00000
      7      10.1060      0.00000
      8      12.0945      0.00000
      9      14.4605      0.00000
     10      15.1861      0.00000
     11      17.3039      0.00000
     12      17.4637      0.00000
     13      19.5664      0.00000
     14      21.1158      0.00000
     15      22.5412      0.00000
     16      23.4764      0.00000
     17      25.3375      0.00000
     18      27.5459      0.00000
     19      28.2335      0.00000
     20      29.0364      0.00000
     21      30.0984      0.00000
     22      30.4937      0.00000
     23      32.9598      0.00000
     24      33.6727      0.00000
     25      34.1622      0.00000
     26      35.3373      0.00000
     27      36.4668      0.00000
     28      37.0343      0.00000
     29      38.1132      0.00000
     30      39.0566      0.00000
     31      39.9392      0.00000
     32      41.0009      0.00000
     33      42.5582      0.00000
     34      43.9839      0.00000
     35      44.9857      0.00000
     36      45.3627      0.00000
     37      47.0884      0.00000
     38      48.1341      0.00000
     39      49.3860      0.00000
     40      49.9165      0.00000
     41      51.0469      0.00000
     42      52.3904      0.00000
     43      53.2550      0.00000
     44      53.7827      0.00000
     45      54.3449      0.00000
     46      55.4170      0.00000
     47      56.5923      0.00000
     48      58.2085      0.00000

 k-point    54 :      -0.4615    0.1538    0.0769
  band No.  band energies     occupation 
      1      -3.7454      1.00000
      2      -1.0208      1.00000
      3       3.2917      1.00000
      4       4.1892      1.00000
      5       8.1964      0.00000
      6       8.8226      0.00000
      7      10.0258      0.00000
      8      13.3151      0.00000
      9      14.4013      0.00000
     10      15.5466      0.00000
     11      16.7895      0.00000
     12      18.0098      0.00000
     13      18.9146      0.00000
     14      20.4666      0.00000
     15      23.7201      0.00000
     16      25.3695      0.00000
     17      26.0646      0.00000
     18      26.6177      0.00000
     19      27.6161      0.00000
     20      27.9209      0.00000
     21      30.3199      0.00000
     22      31.5833      0.00000
     23      31.8536      0.00000
     24      33.1451      0.00000
     25      33.3488      0.00000
     26      34.9767      0.00000
     27      36.1041      0.00000
     28      36.1696      0.00000
     29      37.8167      0.00000
     30      38.9984      0.00000
     31      39.5706      0.00000
     32      40.7521      0.00000
     33      42.3027      0.00000
     34      43.7786      0.00000
     35      44.5350      0.00000
     36      45.3527      0.00000
     37      48.1881      0.00000
     38      48.4334      0.00000
     39      49.8942      0.00000
     40      50.9840      0.00000
     41      52.6077      0.00000
     42      52.7393      0.00000
     43      53.6761      0.00000
     44      54.3120      0.00000
     45      54.5221      0.00000
     46      54.7782      0.00000
     47      56.6682      0.00000
     48      59.0818      0.00000

 k-point    55 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -5.1890      1.00000
      2       2.1734      1.00000
      3       3.6101      1.00000
      4       4.2975      1.00000
      5       7.5011      0.00000
      6       9.3904      0.00000
      7      10.3803      0.00000
      8      11.0187      0.00000
      9      13.5787      0.00000
     10      14.7342      0.00000
     11      16.5271      0.00000
     12      17.6622      0.00000
     13      18.8188      0.00000
     14      20.4458      0.00000
     15      21.9685      0.00000
     16      23.6739      0.00000
     17      25.3213      0.00000
     18      25.9664      0.00000
     19      27.0439      0.00000
     20      29.1226      0.00000
     21      31.4354      0.00000
     22      32.8369      0.00000
     23      33.9709      0.00000
     24      34.9002      0.00000
     25      35.3149      0.00000
     26      37.0807      0.00000
     27      37.0994      0.00000
     28      38.4461      0.00000
     29      40.2064      0.00000
     30      40.5105      0.00000
     31      41.0372      0.00000
     32      41.1990      0.00000
     33      42.9156      0.00000
     34      44.3849      0.00000
     35      45.3114      0.00000
     36      46.4097      0.00000
     37      46.6526      0.00000
     38      47.5158      0.00000
     39      48.5991      0.00000
     40      48.6849      0.00000
     41      49.1652      0.00000
     42      50.8831      0.00000
     43      51.7975      0.00000
     44      52.8752      0.00000
     45      52.9295      0.00000
     46      53.8727      0.00000
     47      53.9029      0.00000
     48      55.7785      0.00000

 k-point    56 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.7267      1.00000
      2       1.1606      1.00000
      3       3.1025      1.00000
      4       4.0358      1.00000
      5       7.8009      0.00000
      6       9.4849      0.00000
      7      10.1630      0.00000
      8      11.3959      0.00000
      9      14.1800      0.00000
     10      16.0860      0.00000
     11      16.5528      0.00000
     12      18.2169      0.00000
     13      19.5354      0.00000
     14      20.8311      0.00000
     15      21.3025      0.00000
     16      23.3515      0.00000
     17      24.9952      0.00000
     18      26.1679      0.00000
     19      27.2503      0.00000
     20      29.5643      0.00000
     21      30.7570      0.00000
     22      31.2796      0.00000
     23      33.0545      0.00000
     24      34.2035      0.00000
     25      35.1539      0.00000
     26      36.3710      0.00000
     27      37.0285      0.00000
     28      37.8678      0.00000
     29      38.7425      0.00000
     30      39.9971      0.00000
     31      40.9960      0.00000
     32      41.8754      0.00000
     33      42.5201      0.00000
     34      44.1796      0.00000
     35      44.6850      0.00000
     36      46.2810      0.00000
     37      46.9615      0.00000
     38      47.7994      0.00000
     39      48.5380      0.00000
     40      49.3112      0.00000
     41      50.0813      0.00000
     42      51.3653      0.00000
     43      52.2473      0.00000
     44      52.5403      0.00000
     45      53.8755      0.00000
     46      54.5658      0.00000
     47      55.4146      0.00000
     48      55.7869      0.00000

 k-point    57 :       0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.1630      1.00000
      2       0.1039      1.00000
      3       2.7693      1.00000
      4       3.7981      1.00000
      5       7.9242      0.00000
      6       9.8537      0.00000
      7      10.2956      0.00000
      8      11.4061      0.00000
      9      15.1789      0.00000
     10      15.9270      0.00000
     11      17.6193      0.00000
     12      17.7017      0.00000
     13      19.5068      0.00000
     14      20.8342      0.00000
     15      22.4956      0.00000
     16      24.3417      0.00000
     17      24.4611      0.00000
     18      26.0380      0.00000
     19      27.5592      0.00000
     20      28.8372      0.00000
     21      30.1688      0.00000
     22      31.0850      0.00000
     23      32.1138      0.00000
     24      33.0894      0.00000
     25      34.8514      0.00000
     26      35.8032      0.00000
     27      36.4365      0.00000
     28      36.9634      0.00000
     29      38.0553      0.00000
     30      39.2856      0.00000
     31      41.0700      0.00000
     32      41.5430      0.00000
     33      41.9108      0.00000
     34      43.7978      0.00000
     35      44.9292      0.00000
     36      46.3062      0.00000
     37      47.7680      0.00000
     38      48.5551      0.00000
     39      49.1658      0.00000
     40      50.0385      0.00000
     41      50.7529      0.00000
     42      51.7967      0.00000
     43      52.7801      0.00000
     44      53.3265      0.00000
     45      53.7911      0.00000
     46      55.3556      0.00000
     47      56.6280      0.00000
     48      57.2414      0.00000

 k-point    58 :      -0.4615    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.6061      1.00000
      2      -0.7609      1.00000
      3       2.5281      1.00000
      4       3.7044      1.00000
      5       7.9972      0.00000
      6       9.5765      0.00000
      7      11.2972      0.00000
      8      11.5469      0.00000
      9      14.7766      0.00000
     10      16.1633      0.00000
     11      17.1384      0.00000
     12      18.2337      0.00000
     13      19.2162      0.00000
     14      22.2160      0.00000
     15      23.1273      0.00000
     16      24.5351      0.00000
     17      25.1319      0.00000
     18      25.8624      0.00000
     19      26.9891      0.00000
     20      28.4283      0.00000
     21      29.2975      0.00000
     22      31.4307      0.00000
     23      31.9691      0.00000
     24      33.0748      0.00000
     25      33.3414      0.00000
     26      34.9363      0.00000
     27      36.1039      0.00000
     28      36.8646      0.00000
     29      37.2772      0.00000
     30      38.7614      0.00000
     31      40.8514      0.00000
     32      41.1190      0.00000
     33      41.7869      0.00000
     34      43.6015      0.00000
     35      45.5477      0.00000
     36      46.1390      0.00000
     37      48.2341      0.00000
     38      49.2881      0.00000
     39      49.4505      0.00000
     40      50.8792      0.00000
     41      51.5429      0.00000
     42      52.0844      0.00000
     43      53.0072      0.00000
     44      53.6894      0.00000
     45      54.8424      0.00000
     46      56.3118      0.00000
     47      57.0197      0.00000
     48      58.0881      0.00000

 k-point    59 :      -0.3846    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.4021      1.00000
      2      -1.0399      1.00000
      3       2.3702      1.00000
      4       3.7791      1.00000
      5       8.1587      0.00000
      6       9.3715      0.00000
      7      11.2077      0.00000
      8      12.9838      0.00000
      9      13.3738      0.00000
     10      15.6214      0.00000
     11      17.2649      0.00000
     12      18.4361      0.00000
     13      20.7638      0.00000
     14      21.0786      0.00000
     15      23.4999      0.00000
     16      24.6261      0.00000
     17      25.4236      0.00000
     18      26.4015      0.00000
     19      26.5923      0.00000
     20      27.7161      0.00000
     21      30.7270      0.00000
     22      31.0879      0.00000
     23      31.4108      0.00000
     24      32.0349      0.00000
     25      33.6216      0.00000
     26      34.7417      0.00000
     27      35.5904      0.00000
     28      36.8969      0.00000
     29      37.3534      0.00000
     30      38.5593      0.00000
     31      40.7225      0.00000
     32      41.1566      0.00000
     33      41.9126      0.00000
     34      43.5871      0.00000
     35      45.4632      0.00000
     36      46.0363      0.00000
     37      48.1948      0.00000
     38      49.2308      0.00000
     39      49.3311      0.00000
     40      50.8427      0.00000
     41      51.9468      0.00000
     42      52.5303      0.00000
     43      53.8909      0.00000
     44      54.3511      0.00000
     45      55.4481      0.00000
     46      56.0989      0.00000
     47      56.5400      0.00000
     48      58.9075      0.00000

 k-point    60 :      -0.3077    0.2308    0.0769
  band No.  band energies     occupation 
      1      -3.7896      1.00000
      2      -0.4883      1.00000
      3       2.3270      1.00000
      4       3.9985      1.00000
      5       8.4276      0.00000
      6       9.2508      0.00000
      7      11.1511      0.00000
      8      11.9572      0.00000
      9      14.4197      0.00000
     10      14.5596      0.00000
     11      17.3017      0.00000
     12      19.4785      0.00000
     13      19.9217      0.00000
     14      21.2281      0.00000
     15      22.5394      0.00000
     16      24.0212      0.00000
     17      25.0675      0.00000
     18      27.1486      0.00000
     19      27.4273      0.00000
     20      28.1917      0.00000
     21      29.7755      0.00000
     22      31.5954      0.00000
     23      31.7082      0.00000
     24      32.7334      0.00000
     25      33.5406      0.00000
     26      34.2290      0.00000
     27      36.0081      0.00000
     28      37.3652      0.00000
     29      38.2446      0.00000
     30      38.8931      0.00000
     31      40.7238      0.00000
     32      41.3951      0.00000
     33      41.8485      0.00000
     34      43.8706      0.00000
     35      45.1927      0.00000
     36      46.1384      0.00000
     37      47.0456      0.00000
     38      48.0535      0.00000
     39      48.8501      0.00000
     40      51.0445      0.00000
     41      51.6923      0.00000
     42      52.9829      0.00000
     43      53.8140      0.00000
     44      54.2922      0.00000
     45      55.3032      0.00000
     46      55.7536      0.00000
     47      56.6949      0.00000
     48      58.4729      0.00000

 k-point    61 :      -0.2308    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.3706      1.00000
      2       0.4581      1.00000
      3       2.4555      1.00000
      4       4.3184      1.00000
      5       8.7636      0.00000
      6       9.1447      0.00000
      7      10.7930      0.00000
      8      11.1327      0.00000
      9      13.3288      0.00000
     10      15.8686      0.00000
     11      17.7020      0.00000
     12      17.9229      0.00000
     13      19.5132      0.00000
     14      21.3908      0.00000
     15      22.0356      0.00000
     16      24.0081      0.00000
     17      24.7358      0.00000
     18      26.4674      0.00000
     19      27.5234      0.00000
     20      29.7942      0.00000
     21      29.9190      0.00000
     22      30.8422      0.00000
     23      32.5292      0.00000
     24      33.2205      0.00000
     25      34.4509      0.00000
     26      35.8778      0.00000
     27      36.4103      0.00000
     28      37.9614      0.00000
     29      38.4026      0.00000
     30      39.1843      0.00000
     31      40.9648      0.00000
     32      41.7417      0.00000
     33      42.8113      0.00000
     34      43.8982      0.00000
     35      44.3774      0.00000
     36      45.9711      0.00000
     37      46.1459      0.00000
     38      47.3653      0.00000
     39      48.3328      0.00000
     40      50.3182      0.00000
     41      51.3798      0.00000
     42      52.2788      0.00000
     43      52.6836      0.00000
     44      54.3646      0.00000
     45      54.8193      0.00000
     46      55.5849      0.00000
     47      56.4129      0.00000
     48      56.7633      0.00000

 k-point    62 :      -0.1538    0.2308    0.0769
  band No.  band energies     occupation 
      1      -4.9040      1.00000
      2       1.4171      1.00000
      3       2.8882      1.00000
      4       4.6662      1.00000
      5       8.7660      0.00000
      6       9.0908      0.00000
      7      10.3962      0.00000
      8      10.7144      0.00000
      9      12.7930      0.00000
     10      16.1562      0.00000
     11      16.4483      0.00000
     12      17.5362      0.00000
     13      19.5174      0.00000
     14      20.5238      0.00000
     15      22.0474      0.00000
     16      24.1508      0.00000
     17      25.3961      0.00000
     18      25.8333      0.00000
     19      27.7487      0.00000
     20      28.3024      0.00000
     21      31.2229      0.00000
     22      31.8425      0.00000
     23      33.9091      0.00000
     24      33.9983      0.00000
     25      35.5126      0.00000
     26      36.3984      0.00000
     27      37.2040      0.00000
     28      38.6659      0.00000
     29      39.2011      0.00000
     30      39.2283      0.00000
     31      40.9825      0.00000
     32      41.1774      0.00000
     33      42.6707      0.00000
     34      44.6718      0.00000
     35      45.4118      0.00000
     36      45.4594      0.00000
     37      46.2160      0.00000
     38      46.4251      0.00000
     39      48.0797      0.00000
     40      49.6731      0.00000
     41      50.6718      0.00000
     42      51.2723      0.00000
     43      52.6930      0.00000
     44      52.9258      0.00000
     45      53.2237      0.00000
     46      54.8827      0.00000
     47      55.7231      0.00000
     48      57.1005      0.00000

 k-point    63 :       0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -4.4911      1.00000
      2       1.0024      1.00000
      3       3.0849      1.00000
      4       3.5367      1.00000
      5       7.0759      0.00000
      6       8.3608      0.00000
      7      11.4984      0.00000
      8      12.4439      0.00000
      9      14.9139      0.00000
     10      16.1265      0.00000
     11      17.5279      0.00000
     12      18.6687      0.00000
     13      19.5715      0.00000
     14      20.6228      0.00000
     15      21.0911      0.00000
     16      22.9519      0.00000
     17      23.4783      0.00000
     18      25.7240      0.00000
     19      27.5526      0.00000
     20      30.2505      0.00000
     21      31.0718      0.00000
     22      31.3095      0.00000
     23      31.9861      0.00000
     24      33.6297      0.00000
     25      34.4750      0.00000
     26      34.8244      0.00000
     27      35.9423      0.00000
     28      39.0453      0.00000
     29      40.1853      0.00000
     30      40.4253      0.00000
     31      41.1523      0.00000
     32      42.4842      0.00000
     33      43.2771      0.00000
     34      43.4162      0.00000
     35      45.9966      0.00000
     36      46.3145      0.00000
     37      46.4059      0.00000
     38      47.0524      0.00000
     39      47.5938      0.00000
     40      49.6938      0.00000
     41      49.9120      0.00000
     42      51.7182      0.00000
     43      52.1536      0.00000
     44      52.6090      0.00000
     45      52.9785      0.00000
     46      54.4767      0.00000
     47      55.5039      0.00000
     48      55.9933      0.00000

 k-point    64 :       0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.9561      1.00000
      2       0.1719      1.00000
      3       2.5406      1.00000
      4       3.3060      1.00000
      5       7.3904      0.00000
      6       8.6849      0.00000
      7      11.2453      0.00000
      8      12.8022      0.00000
      9      15.6968      0.00000
     10      16.5745      0.00000
     11      17.7424      0.00000
     12      18.4150      0.00000
     13      19.8244      0.00000
     14      20.2882      0.00000
     15      22.0907      0.00000
     16      23.2314      0.00000
     17      24.4641      0.00000
     18      25.6729      0.00000
     19      27.3049      0.00000
     20      28.3406      0.00000
     21      30.3050      0.00000
     22      30.4399      0.00000
     23      32.3958      0.00000
     24      32.6431      0.00000
     25      34.1945      0.00000
     26      34.7522      0.00000
     27      37.0328      0.00000
     28      37.9107      0.00000
     29      38.5111      0.00000
     30      39.3957      0.00000
     31      40.6630      0.00000
     32      42.5900      0.00000
     33      43.2945      0.00000
     34      43.8026      0.00000
     35      45.4191      0.00000
     36      46.3204      0.00000
     37      47.1841      0.00000
     38      47.8030      0.00000
     39      48.8111      0.00000
     40      50.2648      0.00000
     41      50.7500      0.00000
     42      51.4357      0.00000
     43      51.9888      0.00000
     44      53.0752      0.00000
     45      53.9249      0.00000
     46      54.9882      0.00000
     47      55.8359      0.00000
     48      57.3458      0.00000

 k-point    65 :      -0.4615    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -0.6263      1.00000
      3       2.0520      1.00000
      4       3.2371      1.00000
      5       7.5164      0.00000
      6       9.7340      0.00000
      7      10.9624      0.00000
      8      12.7689      0.00000
      9      15.0369      0.00000
     10      16.8161      0.00000
     11      17.4849      0.00000
     12      19.0734      0.00000
     13      19.4244      0.00000
     14      21.6866      0.00000
     15      23.3992      0.00000
     16      23.7415      0.00000
     17      24.9212      0.00000
     18      25.6111      0.00000
     19      25.9736      0.00000
     20      28.3296      0.00000
     21      29.0661      0.00000
     22      29.7236      0.00000
     23      31.3925      0.00000
     24      33.7039      0.00000
     25      34.2579      0.00000
     26      34.8000      0.00000
     27      35.3918      0.00000
     28      37.5038      0.00000
     29      37.9073      0.00000
     30      38.8774      0.00000
     31      40.3265      0.00000
     32      41.6922      0.00000
     33      43.1992      0.00000
     34      43.9447      0.00000
     35      45.5484      0.00000
     36      46.4692      0.00000
     37      48.0372      0.00000
     38      48.7842      0.00000
     39      49.3538      0.00000
     40      50.5903      0.00000
     41      50.9889      0.00000
     42      51.4568      0.00000
     43      52.9717      0.00000
     44      53.7889      0.00000
     45      54.8660      0.00000
     46      56.2973      0.00000
     47      56.8786      0.00000
     48      57.5629      0.00000

 k-point    66 :      -0.3846    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.0018      1.00000
      2      -1.0783      1.00000
      3       1.7078      1.00000
      4       3.3390      1.00000
      5       7.6882      0.00000
      6      10.5540      0.00000
      7      11.2880      0.00000
      8      12.6365      0.00000
      9      13.4549      0.00000
     10      15.8081      0.00000
     11      18.4364      0.00000
     12      18.9466      0.00000
     13      20.9835      0.00000
     14      22.6785      0.00000
     15      23.1966      0.00000
     16      23.5185      0.00000
     17      24.5131      0.00000
     18      25.2025      0.00000
     19      26.8778      0.00000
     20      27.7030      0.00000
     21      29.2080      0.00000
     22      30.3484      0.00000
     23      31.0428      0.00000
     24      32.6509      0.00000
     25      33.7508      0.00000
     26      34.6416      0.00000
     27      35.6316      0.00000
     28      36.3584      0.00000
     29      38.2179      0.00000
     30      38.6090      0.00000
     31      39.8987      0.00000
     32      42.0098      0.00000
     33      43.2996      0.00000
     34      43.9630      0.00000
     35      45.2351      0.00000
     36      45.8997      0.00000
     37      48.3943      0.00000
     38      48.9306      0.00000
     39      49.7338      0.00000
     40      50.5325      0.00000
     41      51.4852      0.00000
     42      52.8078      0.00000
     43      53.7240      0.00000
     44      54.2227      0.00000
     45      55.4950      0.00000
     46      56.5542      0.00000
     47      57.8300      0.00000
     48      58.6369      0.00000

 k-point    67 :      -0.3077    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.2559      1.00000
      2      -0.7652      1.00000
      3       1.5767      1.00000
      4       3.5835      1.00000
      5       7.9800      0.00000
      6      10.3928      0.00000
      7      11.9107      0.00000
      8      12.4113      0.00000
      9      12.9876      0.00000
     10      14.4320      0.00000
     11      18.7316      0.00000
     12      20.1364      0.00000
     13      20.9827      0.00000
     14      21.6046      0.00000
     15      22.6492      0.00000
     16      23.3274      0.00000
     17      24.8625      0.00000
     18      25.7949      0.00000
     19      27.0849      0.00000
     20      28.4144      0.00000
     21      29.3640      0.00000
     22      30.4501      0.00000
     23      31.4955      0.00000
     24      32.7138      0.00000
     25      33.5085      0.00000
     26      33.9344      0.00000
     27      35.3409      0.00000
     28      36.1220      0.00000
     29      38.2974      0.00000
     30      39.6305      0.00000
     31      40.1006      0.00000
     32      42.3739      0.00000
     33      43.4290      0.00000
     34      43.8609      0.00000
     35      44.7593      0.00000
     36      44.9208      0.00000
     37      47.4113      0.00000
     38      48.8431      0.00000
     39      49.8851      0.00000
     40      50.7386      0.00000
     41      51.9822      0.00000
     42      53.2946      0.00000
     43      53.8312      0.00000
     44      54.7280      0.00000
     45      55.5302      0.00000
     46      56.4818      0.00000
     47      57.1176      0.00000
     48      58.6208      0.00000

 k-point    68 :      -0.2308    0.3077    0.0769
  band No.  band energies     occupation 
      1      -3.8202      1.00000
      2      -0.0926      1.00000
      3       1.7756      1.00000
      4       3.9328      1.00000
      5       8.3748      0.00000
      6       9.9854      0.00000
      7      10.9617      0.00000
      8      12.0277      0.00000
      9      13.4924      0.00000
     10      14.5839      0.00000
     11      18.7110      0.00000
     12      19.3658      0.00000
     13      19.7754      0.00000
     14      21.4563      0.00000
     15      22.8653      0.00000
     16      23.8571      0.00000
     17      23.8852      0.00000
     18      26.6769      0.00000
     19      27.7857      0.00000
     20      28.3633      0.00000
     21      30.1399      0.00000
     22      30.6776      0.00000
     23      31.7019      0.00000
     24      32.7361      0.00000
     25      33.1469      0.00000
     26      35.2919      0.00000
     27      35.9700      0.00000
     28      36.2983      0.00000
     29      38.3710      0.00000
     30      39.9851      0.00000
     31      40.3399      0.00000
     32      43.0030      0.00000
     33      43.4796      0.00000
     34      43.7311      0.00000
     35      44.0974      0.00000
     36      44.6394      0.00000
     37      46.0211      0.00000
     38      48.4345      0.00000
     39      49.7688      0.00000
     40      50.1223      0.00000
     41      52.6442      0.00000
     42      52.7336      0.00000
     43      53.9383      0.00000
     44      53.9844      0.00000
     45      54.6645      0.00000
     46      56.8676      0.00000
     47      57.0651      0.00000
     48      57.7208      0.00000

 k-point    69 :       0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -3.6166      1.00000
      2      -0.2208      1.00000
      3       2.7435      1.00000
      4       2.9909      1.00000
      5       6.8329      0.00000
      6       7.5560      0.00000
      7      12.7462      0.00000
      8      13.9140      0.00000
      9      16.2816      0.00000
     10      16.9951      0.00000
     11      17.6480      0.00000
     12      18.6849      0.00000
     13      19.7835      0.00000
     14      20.7990      0.00000
     15      21.6424      0.00000
     16      22.4561      0.00000
     17      24.0674      0.00000
     18      24.9850      0.00000
     19      27.7664      0.00000
     20      28.3766      0.00000
     21      29.2564      0.00000
     22      30.1605      0.00000
     23      31.1147      0.00000
     24      32.2582      0.00000
     25      34.1647      0.00000
     26      35.1123      0.00000
     27      36.4133      0.00000
     28      38.9733      0.00000
     29      39.8088      0.00000
     30      39.9857      0.00000
     31      40.2123      0.00000
     32      42.9879      0.00000
     33      43.9789      0.00000
     34      44.6380      0.00000
     35      45.8500      0.00000
     36      46.4249      0.00000
     37      46.4616      0.00000
     38      46.4955      0.00000
     39      47.4073      0.00000
     40      48.7039      0.00000
     41      50.6073      0.00000
     42      51.5538      0.00000
     43      51.9007      0.00000
     44      53.5622      0.00000
     45      54.1114      0.00000
     46      56.0356      0.00000
     47      57.0410      0.00000
     48      58.4788      0.00000

 k-point    70 :      -0.4615    0.3846    0.0769
  band No.  band energies     occupation 
      1      -3.0344      1.00000
      2      -0.8879      1.00000
      3       2.1523      1.00000
      4       2.8778      1.00000
      5       7.1265      0.00000
      6       8.1942      0.00000
      7      12.4614      0.00000
      8      14.2480      0.00000
      9      15.3146      0.00000
     10      17.0865      0.00000
     11      17.6767      0.00000
     12      19.3705      0.00000
     13      20.2849      0.00000
     14      20.8531      0.00000
     15      22.1803      0.00000
     16      23.3071      0.00000
     17      24.9643      0.00000
     18      25.6071      0.00000
     19      26.4179      0.00000
     20      27.5833      0.00000
     21      28.5375      0.00000
     22      29.6051      0.00000
     23      30.0519      0.00000
     24      31.8014      0.00000
     25      35.0344      0.00000
     26      35.4359      0.00000
     27      37.3126      0.00000
     28      37.6664      0.00000
     29      38.2516      0.00000
     30      39.4073      0.00000
     31      40.0337      0.00000
     32      42.5470      0.00000
     33      43.6671      0.00000
     34      44.5740      0.00000
     35      45.7217      0.00000
     36      46.1036      0.00000
     37      46.8320      0.00000
     38      47.7282      0.00000
     39      48.1736      0.00000
     40      49.0248      0.00000
     41      51.5928      0.00000
     42      52.4568      0.00000
     43      53.2414      0.00000
     44      53.7124      0.00000
     45      54.9184      0.00000
     46      56.1679      0.00000
     47      57.0059      0.00000
     48      58.8077      0.00000

 k-point    71 :      -0.3846    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.5525      1.00000
      2      -1.3710      1.00000
      3       1.5948      1.00000
      4       2.9786      1.00000
      5       7.2942      0.00000
      6       9.4871      0.00000
      7      12.1663      0.00000
      8      13.5592      0.00000
      9      14.2356      0.00000
     10      15.9271      0.00000
     11      18.7783      0.00000
     12      20.3013      0.00000
     13      21.0110      0.00000
     14      21.2738      0.00000
     15      22.9124      0.00000
     16      23.0975      0.00000
     17      24.5300      0.00000
     18      25.6816      0.00000
     19      26.4050      0.00000
     20      27.4715      0.00000
     21      28.6488      0.00000
     22      29.4654      0.00000
     23      29.8001      0.00000
     24      31.9274      0.00000
     25      34.5034      0.00000
     26      34.9947      0.00000
     27      36.2292      0.00000
     28      37.1709      0.00000
     29      38.4962      0.00000
     30      39.0251      0.00000
     31      40.4071      0.00000
     32      41.7374      0.00000
     33      43.4212      0.00000
     34      44.6818      0.00000
     35      44.9362      0.00000
     36      45.6292      0.00000
     37      48.3198      0.00000
     38      48.3597      0.00000
     39      48.7506      0.00000
     40      50.2906      0.00000
     41      52.0333      0.00000
     42      52.4365      0.00000
     43      54.1598      0.00000
     44      54.6296      0.00000
     45      55.6077      0.00000
     46      56.4578      0.00000
     47      57.3930      0.00000
     48      58.2628      0.00000

 k-point    72 :      -0.3077    0.3846    0.0769
  band No.  band energies     occupation 
      1      -2.7184      1.00000
      2      -1.1919      1.00000
      3       1.3398      1.00000
      4       3.2243      1.00000
      5       7.5771      0.00000
      6      10.9347      0.00000
      7      11.8236      0.00000
      8      12.2402      0.00000
      9      13.7404      0.00000
     10      14.7463      0.00000
     11      19.9385      0.00000
     12      20.4063      0.00000
     13      20.7131      0.00000
     14      21.8358      0.00000
     15      22.4398      0.00000
     16      23.9174      0.00000
     17      24.0947      0.00000
     18      25.1992      0.00000
     19      27.2974      0.00000
     20      27.6024      0.00000
     21      28.2536      0.00000
     22      29.9117      0.00000
     23      32.0012      0.00000
     24      32.4644      0.00000
     25      32.5843      0.00000
     26      34.1243      0.00000
     27      35.8271      0.00000
     28      36.3011      0.00000
     29      38.5418      0.00000
     30      38.9754      0.00000
     31      40.7431      0.00000
     32      42.6336      0.00000
     33      42.8764      0.00000
     34      44.3903      0.00000
     35      44.5682      0.00000
     36      45.0382      0.00000
     37      48.6100      0.00000
     38      49.1220      0.00000
     39      49.2876      0.00000
     40      50.1255      0.00000
     41      52.3713      0.00000
     42      53.2134      0.00000
     43      54.5024      0.00000
     44      55.1071      0.00000
     45      55.3876      0.00000
     46      56.2734      0.00000
     47      57.1051      0.00000
     48      58.4791      0.00000

 k-point    73 :      -0.4615    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.5878      1.00000
      2      -1.4391      1.00000
      3       2.6049      1.00000
      4       2.6831      1.00000
      5       6.8125      0.00000
      6       7.0448      0.00000
      7      14.0800      0.00000
      8      15.2066      0.00000
      9      15.8183      0.00000
     10      17.0101      0.00000
     11      17.8171      0.00000
     12      19.1327      0.00000
     13      19.2686      0.00000
     14      20.5918      0.00000
     15      22.5589      0.00000
     16      23.8819      0.00000
     17      24.6819      0.00000
     18      25.5633      0.00000
     19      26.5279      0.00000
     20      26.5544      0.00000
     21      28.3245      0.00000
     22      28.6821      0.00000
     23      29.7783      0.00000
     24      30.8342      0.00000
     25      35.5833      0.00000
     26      35.7338      0.00000
     27      37.7430      0.00000
     28      38.5560      0.00000
     29      39.8215      0.00000
     30      39.8589      0.00000
     31      40.0855      0.00000
     32      42.3739      0.00000
     33      44.2352      0.00000
     34      44.5810      0.00000
     35      45.0365      0.00000
     36      45.0906      0.00000
     37      46.3977      0.00000
     38      46.3999      0.00000
     39      48.3984      0.00000
     40      48.4095      0.00000
     41      51.1239      0.00000
     42      51.5729      0.00000
     43      53.6289      0.00000
     44      53.8326      0.00000
     45      55.9012      0.00000
     46      57.2890      0.00000
     47      57.6989      0.00000
     48      59.9236      0.00000

 k-point    74 :      -0.3846    0.4615    0.0769
  band No.  band energies     occupation 
      1      -2.1156      1.00000
      2      -1.8584      1.00000
      3       2.0141      1.00000
      4       2.7421      1.00000
      5       7.0359      0.00000
      6       8.0319      0.00000
      7      13.6985      0.00000
      8      13.9022      0.00000
      9      15.6207      0.00000
     10      16.1130      0.00000
     11      18.6424      0.00000
     12      19.2590      0.00000
     13      20.7478      0.00000
     14      21.2643      0.00000
     15      22.6409      0.00000
     16      22.9813      0.00000
     17      24.7426      0.00000
     18      25.3485      0.00000
     19      27.0600      0.00000
     20      27.1784      0.00000
     21      28.2890      0.00000
     22      28.7955      0.00000
     23      29.5386      0.00000
     24      30.1955      0.00000
     25      35.3867      0.00000
     26      36.5811      0.00000
     27      36.9856      0.00000
     28      37.5162      0.00000
     29      38.4965      0.00000
     30      39.3711      0.00000
     31      41.5550      0.00000
     32      41.8389      0.00000
     33      42.4697      0.00000
     34      44.8453      0.00000
     35      44.9080      0.00000
     36      45.9956      0.00000
     37      46.3549      0.00000
     38      48.4015      0.00000
     39      48.7229      0.00000
     40      48.7702      0.00000
     41      51.9384      0.00000
     42      52.4861      0.00000
     43      53.6676      0.00000
     44      54.0925      0.00000
     45      55.9244      0.00000
     46      57.4863      0.00000
     47      57.7633      0.00000
     48      58.1684      0.00000

 k-point    75 :       0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -4.2318      1.00000
      2       0.5053      1.00000
      3       2.3853      1.00000
      4       3.7220      1.00000
      5       8.3790      0.00000
      6       9.4240      0.00000
      7       9.8776      0.00000
      8      12.2694      0.00000
      9      14.2768      0.00000
     10      16.2437      0.00000
     11      17.8580      0.00000
     12      18.4494      0.00000
     13      19.3358      0.00000
     14      21.0137      0.00000
     15      21.6322      0.00000
     16      23.8675      0.00000
     17      24.7258      0.00000
     18      26.4196      0.00000
     19      26.8556      0.00000
     20      29.3238      0.00000
     21      30.2390      0.00000
     22      30.9301      0.00000
     23      31.3285      0.00000
     24      33.8305      0.00000
     25      34.0954      0.00000
     26      36.2197      0.00000
     27      37.4091      0.00000
     28      37.4647      0.00000
     29      38.3288      0.00000
     30      38.4514      0.00000
     31      40.2330      0.00000
     32      42.0908      0.00000
     33      43.3878      0.00000
     34      44.5607      0.00000
     35      44.9245      0.00000
     36      45.6429      0.00000
     37      47.6701      0.00000
     38      47.6908      0.00000
     39      48.9978      0.00000
     40      49.0200      0.00000
     41      51.0009      0.00000
     42      51.4684      0.00000
     43      53.1364      0.00000
     44      53.5821      0.00000
     45      54.1267      0.00000
     46      55.0407      0.00000
     47      56.2061      0.00000
     48      56.3688      0.00000

 k-point    76 :      -0.4615    0.3077    0.1538
  band No.  band energies     occupation 
      1      -3.6544      1.00000
      2      -0.2872      1.00000
      3       2.0028      1.00000
      4       3.3892      1.00000
      5       8.7363      0.00000
      6       9.4512      0.00000
      7      10.2066      0.00000
      8      12.6679      0.00000
      9      14.7291      0.00000
     10      15.0742      0.00000
     11      18.3644      0.00000
     12      19.5480      0.00000
     13      19.9633      0.00000
     14      20.5047      0.00000
     15      22.9784      0.00000
     16      23.7021      0.00000
     17      24.8544      0.00000
     18      26.7088      0.00000
     19      26.9507      0.00000
     20      27.8188      0.00000
     21      29.4309      0.00000
     22      29.9223      0.00000
     23      32.3273      0.00000
     24      33.0355      0.00000
     25      33.8244      0.00000
     26      35.3435      0.00000
     27      35.9541      0.00000
     28      37.2347      0.00000
     29      37.5370      0.00000
     30      38.7777      0.00000
     31      39.7655      0.00000
     32      42.3172      0.00000
     33      42.7349      0.00000
     34      44.9278      0.00000
     35      45.3747      0.00000
     36      46.0976      0.00000
     37      47.6849      0.00000
     38      48.4262      0.00000
     39      49.2205      0.00000
     40      50.1660      0.00000
     41      51.0401      0.00000
     42      51.6546      0.00000
     43      53.1057      0.00000
     44      53.7766      0.00000
     45      54.8443      0.00000
     46      56.8667      0.00000
     47      57.5792      0.00000
     48      57.6770      0.00000

 k-point    77 :      -0.3846    0.3077    0.1538
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -0.9431      1.00000
      3       1.8582      1.00000
      4       3.1894      1.00000
      5       8.8835      0.00000
      6       9.1605      0.00000
      7      11.4937      0.00000
      8      12.7344      0.00000
      9      13.0974      0.00000
     10      16.2954      0.00000
     11      17.8323      0.00000
     12      18.8252      0.00000
     13      21.3055      0.00000
     14      22.1954      0.00000
     15      22.7822      0.00000
     16      23.8309      0.00000
     17      24.7057      0.00000
     18      25.8411      0.00000
     19      26.8509      0.00000
     20      27.7098      0.00000
     21      29.2616      0.00000
     22      30.1416      0.00000
     23      31.6632      0.00000
     24      32.3685      0.00000
     25      34.0225      0.00000
     26      34.9803      0.00000
     27      35.7325      0.00000
     28      36.8274      0.00000
     29      37.0466      0.00000
     30      38.4163      0.00000
     31      39.4310      0.00000
     32      41.7561      0.00000
     33      43.1421      0.00000
     34      45.2552      0.00000
     35      45.5558      0.00000
     36      46.7103      0.00000
     37      47.8242      0.00000
     38      48.4720      0.00000
     39      49.8259      0.00000
     40      50.4137      0.00000
     41      50.9784      0.00000
     42      51.7890      0.00000
     43      53.6014      0.00000
     44      54.5536      0.00000
     45      55.7502      0.00000
     46      56.7080      0.00000
     47      57.8216      0.00000
     48      58.4915      0.00000

 k-point    78 :      -0.4615    0.3846    0.1538
  band No.  band energies     occupation 
      1      -3.4020      1.00000
      2      -0.4395      1.00000
      3       2.0965      1.00000
      4       2.8730      1.00000
      5       8.1435      0.00000
      6       8.7207      0.00000
      7      10.9041      0.00000
      8      13.8681      0.00000
      9      14.9657      0.00000
     10      15.8888      0.00000
     11      18.9159      0.00000
     12      19.5640      0.00000
     13      19.8927      0.00000
     14      20.2463      0.00000
     15      22.3083      0.00000
     16      23.3235      0.00000
     17      25.8147      0.00000
     18      25.8936      0.00000
     19      26.9646      0.00000
     20      27.0848      0.00000
     21      28.6425      0.00000
     22      29.3997      0.00000
     23      31.7876      0.00000
     24      33.4795      0.00000
     25      34.2207      0.00000
     26      34.4754      0.00000
     27      37.1778      0.00000
     28      37.4644      0.00000
     29      37.6731      0.00000
     30      38.4964      0.00000
     31      39.6065      0.00000
     32      42.9090      0.00000
     33      43.5207      0.00000
     34      44.6731      0.00000
     35      45.8697      0.00000
     36      46.3692      0.00000
     37      47.7019      0.00000
     38      48.1851      0.00000
     39      48.9977      0.00000
     40      49.1884      0.00000
     41      51.1772      0.00000
     42      51.3657      0.00000
     43      52.6039      0.00000
     44      54.4154      0.00000
     45      54.5099      0.00000
     46      55.9832      0.00000
     47      57.2629      0.00000
     48      58.0485      0.00000

 k-point    79 :      -0.3846    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.8354      1.00000
      2      -1.0416      1.00000
      3       1.7415      1.00000
      4       2.6412      1.00000
      5       8.4746      0.00000
      6       9.6732      0.00000
      7      10.6116      0.00000
      8      13.2401      0.00000
      9      14.2783      0.00000
     10      16.7418      0.00000
     11      18.0187      0.00000
     12      19.9364      0.00000
     13      20.7551      0.00000
     14      21.5412      0.00000
     15      22.6784      0.00000
     16      24.1592      0.00000
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     18      25.3511      0.00000
     19      26.6106      0.00000
     20      27.0288      0.00000
     21      28.5558      0.00000
     22      29.3669      0.00000
     23      30.9617      0.00000
     24      33.5007      0.00000
     25      33.8762      0.00000
     26      34.9164      0.00000
     27      35.8144      0.00000
     28      36.7031      0.00000
     29      37.2342      0.00000
     30      38.2648      0.00000
     31      40.3565      0.00000
     32      42.2596      0.00000
     33      43.6456      0.00000
     34      45.0997      0.00000
     35      45.6668      0.00000
     36      46.6339      0.00000
     37      47.9433      0.00000
     38      48.5554      0.00000
     39      48.7438      0.00000
     40      50.4864      0.00000
     41      51.1744      0.00000
     42      51.8359      0.00000
     43      53.6124      0.00000
     44      54.4792      0.00000
     45      55.0562      0.00000
     46      57.0083      0.00000
     47      57.4824      0.00000
     48      58.5729      0.00000

 k-point    80 :      -0.3077    0.3846    0.1538
  band No.  band energies     occupation 
      1      -2.6406      1.00000
      2      -1.2376      1.00000
      3       1.5243      1.00000
      4       2.6975      1.00000
      5       8.7007      0.00000
      6      10.1547      0.00000
      7      11.2374      0.00000
      8      11.7338      0.00000
      9      14.2459      0.00000
     10      16.3140      0.00000
     11      18.4230      0.00000
     12      19.9452      0.00000
     13      21.0262      0.00000
     14      22.3873      0.00000
     15      23.1856      0.00000
     16      23.8299      0.00000
     17      24.2393      0.00000
     18      25.3479      0.00000
     19      26.4237      0.00000
     20      26.9565      0.00000
     21      28.3082      0.00000
     22      30.6384      0.00000
     23      31.7313      0.00000
     24      32.0583      0.00000
     25      33.5593      0.00000
     26      34.3141      0.00000
     27      35.9542      0.00000
     28      36.5274      0.00000
     29      37.2902      0.00000
     30      37.8325      0.00000
     31      40.4601      0.00000
     32      42.6197      0.00000
     33      43.7480      0.00000
     34      44.7288      0.00000
     35      45.2913      0.00000
     36      46.5319      0.00000
     37      48.3432      0.00000
     38      48.6712      0.00000
     39      49.2968      0.00000
     40      50.2405      0.00000
     41      51.5135      0.00000
     42      52.4167      0.00000
     43      53.8563      0.00000
     44      54.8934      0.00000
     45      55.8628      0.00000
     46      56.2309      0.00000
     47      56.6967      0.00000
     48      58.5464      0.00000

 k-point    81 :      -0.2308    0.3846    0.1538
  band No.  band energies     occupation 
      1      -3.0816      1.00000
      2      -0.7922      1.00000
      3       1.5726      1.00000
      4       2.9747      1.00000
      5       9.0283      0.00000
      6       9.7767      0.00000
      7      10.4091      0.00000
      8      12.9934      0.00000
      9      13.8011      0.00000
     10      15.3204      0.00000
     11      19.4814      0.00000
     12      19.9102      0.00000
     13      20.1532      0.00000
     14      21.7402      0.00000
     15      22.1637      0.00000
     16      24.6165      0.00000
     17      24.6265      0.00000
     18      25.9296      0.00000
     19      26.4045      0.00000
     20      27.4237      0.00000
     21      28.8945      0.00000
     22      29.7237      0.00000
     23      31.6183      0.00000
     24      33.1867      0.00000
     25      34.0997      0.00000
     26      35.0015      0.00000
     27      35.1736      0.00000
     28      35.8748      0.00000
     29      37.6591      0.00000
     30      37.9624      0.00000
     31      40.6572      0.00000
     32      43.0618      0.00000
     33      43.1343      0.00000
     34      44.1418      0.00000
     35      45.4942      0.00000
     36      46.3457      0.00000
     37      48.6533      0.00000
     38      49.1017      0.00000
     39      49.2142      0.00000
     40      49.6646      0.00000
     41      50.8067      0.00000
     42      52.1668      0.00000
     43      53.8718      0.00000
     44      53.9804      0.00000
     45      55.5717      0.00000
     46      57.2314      0.00000
     47      57.9420      0.00000
     48      58.6698      0.00000

 k-point    82 :      -0.3846    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.4517      1.00000
      2      -1.4398      1.00000
      3       2.0571      1.00000
      4       2.3058      1.00000
      5       8.1033      0.00000
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      7      12.1155      0.00000
      8      13.4843      0.00000
      9      15.4960      0.00000
     10      16.8649      0.00000
     11      18.0697      0.00000
     12      19.2821      0.00000
     13      21.1891      0.00000
     14      21.8340      0.00000
     15      22.4593      0.00000
     16      23.4739      0.00000
     17      24.0994      0.00000
     18      25.4963      0.00000
     19      27.0001      0.00000
     20      27.0236      0.00000
     21      28.7086      0.00000
     22      29.0346      0.00000
     23      29.7574      0.00000
     24      31.1125      0.00000
     25      35.1770      0.00000
     26      36.3143      0.00000
     27      36.6741      0.00000
     28      37.0740      0.00000
     29      37.2353      0.00000
     30      38.2912      0.00000
     31      41.0261      0.00000
     32      43.1397      0.00000
     33      43.2703      0.00000
     34      43.8745      0.00000
     35      45.5824      0.00000
     36      46.6338      0.00000
     37      47.6694      0.00000
     38      48.1473      0.00000
     39      48.2531      0.00000
     40      48.9921      0.00000
     41      52.5799      0.00000
     42      52.8840      0.00000
     43      53.6868      0.00000
     44      54.2715      0.00000
     45      55.5440      0.00000
     46      55.7562      0.00000
     47      57.2339      0.00000
     48      58.2089      0.00000

 k-point    83 :      -0.3077    0.4615    0.1538
  band No.  band energies     occupation 
      1      -2.1673      1.00000
      2      -1.6720      1.00000
      3       1.6642      1.00000
      4       2.3528      1.00000
      5       8.3837      0.00000
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      7      11.7530      0.00000
      8      11.9009      0.00000
      9      15.5406      0.00000
     10      16.3888      0.00000
     11      18.4835      0.00000
     12      19.4710      0.00000
     13      21.5577      0.00000
     14      22.3847      0.00000
     15      23.1338      0.00000
     16      23.3363      0.00000
     17      24.3290      0.00000
     18      25.0822      0.00000
     19      25.7807      0.00000
     20      27.2987      0.00000
     21      28.5069      0.00000
     22      29.5329      0.00000
     23      31.1365      0.00000
     24      31.4464      0.00000
     25      34.3083      0.00000
     26      34.6557      0.00000
     27      36.3007      0.00000
     28      36.3426      0.00000
     29      37.7593      0.00000
     30      38.0839      0.00000
     31      41.6171      0.00000
     32      42.6882      0.00000
     33      43.1255      0.00000
     34      43.9603      0.00000
     35      45.5118      0.00000
     36      46.7523      0.00000
     37      47.9025      0.00000
     38      48.3720      0.00000
     39      49.0672      0.00000
     40      50.0607      0.00000
     41      52.3460      0.00000
     42      53.1735      0.00000
     43      53.9115      0.00000
     44      55.1091      0.00000
     45      55.4614      0.00000
     46      55.8359      0.00000
     47      56.0373      0.00000
     48      57.2669      0.00000

 k-point    84 :      -0.3077    0.4615    0.2308
  band No.  band energies     occupation 
      1      -2.2873      1.00000
      2      -1.5122      1.00000
      3       1.6852      1.00000
      4       2.1620      1.00000
      5       9.6926      0.00000
      6       9.7118      0.00000
      7      10.4305      0.00000
      8      11.5551      0.00000
      9      15.5080      0.00000
     10      16.6593      0.00000
     11      18.3090      0.00000
     12      19.4489      0.00000
     13      21.2926      0.00000
     14      22.4120      0.00000
     15      23.4973      0.00000
     16      23.8271      0.00000
     17      25.0676      0.00000
     18      25.1719      0.00000
     19      25.3862      0.00000
     20      25.9672      0.00000
     21      28.6975      0.00000
     22      29.9391      0.00000
     23      31.5394      0.00000
     24      33.5160      0.00000
     25      33.7254      0.00000
     26      33.8621      0.00000
     27      34.7768      0.00000
     28      35.7767      0.00000
     29      37.6862      0.00000
     30      38.4165      0.00000
     31      41.6534      0.00000
     32      42.8272      0.00000
     33      43.1781      0.00000
     34      44.2032      0.00000
     35      45.8235      0.00000
     36      46.1088      0.00000
     37      48.5942      0.00000
     38      48.7944      0.00000
     39      49.5514      0.00000
     40      50.3355      0.00000
     41      52.0861      0.00000
     42      52.5059      0.00000
     43      53.9223      0.00000
     44      54.1258      0.00000
     45      54.8504      0.00000
     46      55.8509      0.00000
     47      56.6934      0.00000
     48      57.7360      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.405  -0.002  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.002   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.177   0.000   0.000  -0.006  -0.000  -0.000
 -0.000   0.000   0.000   4.177   0.000  -0.000  -0.006  -0.000
 -0.000   0.000   0.000   0.000   4.177  -0.000  -0.000  -0.006
  0.000  -0.000  -0.006  -0.000  -0.000   0.005   0.000   0.000
  0.000  -0.000  -0.000  -0.006  -0.000   0.000   0.005   0.000
  0.000  -0.000  -0.000  -0.000  -0.006   0.000   0.000   0.005
 pseudopotential strength for first ion, spin component:           2
 18.405  -0.002  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.002   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.177   0.000   0.000  -0.006  -0.000  -0.000
 -0.000   0.000   0.000   4.177   0.000  -0.000  -0.006  -0.000
 -0.000   0.000   0.000   0.000   4.177  -0.000  -0.000  -0.006
  0.000  -0.000  -0.006  -0.000  -0.000   0.005   0.000   0.000
  0.000  -0.000  -0.000  -0.006  -0.000   0.000   0.005   0.000
  0.000  -0.000  -0.000  -0.000  -0.006   0.000   0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.491  -0.820   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.820   0.822  -0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   1.026  -0.000   0.000  -0.551   0.000  -0.000
 -0.000   0.000  -0.000   1.026   0.000   0.000  -0.551  -0.000
 -0.000  -0.000   0.000   0.000   1.026  -0.000  -0.000  -0.551
  0.000   0.000  -0.551   0.000  -0.000   0.352  -0.000   0.000
  0.000   0.000   0.000  -0.551  -0.000  -0.000   0.352   0.000
 -0.000  -0.000  -0.000  -0.000  -0.551   0.000   0.000   0.352
 total augmentation occupancy for first ion, spin component:           2
 -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
  0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000
  0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


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





 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.752   0.937   0.000   1.689
    2        0.752   0.937   0.000   1.689
--------------------------------------------------
tot          1.505   1.873   0.000   3.378



 magnetization (x)

# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.000   0.000   0.000
 
    CHARGE:  cpu time    1.2935: real time    0.1699
    FORLOC:  cpu time    0.0083: real time    0.0010
    FORNL :  cpu time    8.7517: real time    1.0940
    STRESS:  cpu time   26.1429: real time    3.2757
    FORCOR:  cpu time    0.8705: real time    0.1088
    FORHAR:  cpu time    0.0998: real time    0.0125
    MIXING:  cpu time    0.0240: real time    0.0030
    OFIELD:  cpu time    0.0010: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.35338     3.35338     3.35338
  Ewald     -76.10653   -76.10653   -76.10653    -0.00000     0.00000    -0.00000
  Hartree     4.88037     4.88037     4.88037     0.00000     0.00000     0.00000
  E(xc)     -25.53317   -25.53317   -25.53317    -0.00000    -0.00000    -0.00000
  Local     -29.06817   -29.06817   -29.06817     0.00000     0.00000     0.00000
  n-local    78.50620    79.97565    74.22493     2.25646    -1.33051     0.52485
  augment   -11.51795   -11.51795   -11.51795    -0.00000    -0.00000    -0.00000
  Kinetic    58.67147    55.66200    54.94191     3.57727    -0.56658     1.02945
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.00198     0.00198     0.00198     0.00000     0.00000     0.00000
  in kB       0.07894     0.07894     0.07894     0.00000     0.00000     0.00000
  external pressure =        0.08 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      680.00
  volume of cell :       40.15
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.717902000  2.717902000    -0.183965426  0.183965426  0.183965426
     2.717902000  0.000000000  2.717902000     0.183965426 -0.183965426  0.183965426
     2.717902000  2.717902000  0.000000000     0.183965426  0.183965426 -0.183965426

  length of vectors
     3.843693870  3.843693870  3.843693870     0.318637465  0.318637465  0.318637465


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.536E-08 -.536E-08 -.422E-08   0.291E-14 0.316E-14 -.102E-13   -.386E-16 -.247E-16 -.210E-16   -.224E-09 -.224E-09 -.224E-09
   0.536E-08 0.536E-08 0.422E-08   -.279E-14 -.392E-14 0.982E-14   0.493E-16 0.285E-16 0.194E-16   0.224E-09 0.224E-09 0.224E-09
 -----------------------------------------------------------------------------------------------
   0.105E-12 0.203E-13 -.177E-13   0.121E-15 -.758E-15 -.423E-15   0.108E-16 0.385E-17 -.158E-17   -.114E-14 -.275E-14 -.163E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.35895      1.35895      1.35895        -0.000000     -0.000000     -0.000000
      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  =       -10.65052373 eV

  energy  without entropy=      -10.65052373  energy(sigma->0) =      -10.65052373
 


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


    POTLOK:  cpu time    2.7973: real time    0.7849


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


 writing wavefunctions
     LOOP+:  cpu time21727.8791: real time 3421.2365


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



 plasma frequency squared (from intraband transitions) (eV^2)
  --------------------------------------------------------------------------------------
       0.001       0.000      -0.000
       0.000       0.001      -0.000
      -0.000       0.000       0.001

 electrical conductivity sigma (Mega S m-1) (frequency dependency in vasprun.xml)
  --------------------------------------------------------------------------------------
       0.000       0.000      -0.000
       0.000       0.000      -0.000
      -0.000       0.000       0.000

 plasma frequency squared (from interband transitions, int dw w eps(2)(w)) (eV^2)
  --------------------------------------------------------------------------------------
     128.797       0.000       0.000       0.000      -0.000       0.000
       0.000       0.000     128.797       0.000       0.000       0.000
      -0.000       0.000       0.000       0.000     128.797       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):     274.715

 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
    0.039703    0.003462    0.003462    0.003462    0.000000    0.000000   -0.000000
    0.079406    0.006930    0.006930    0.006930    0.000000    0.000000   -0.000000
    0.119109    0.010408    0.010408    0.010408    0.000000    0.000000   -0.000000
    0.158812    0.013903    0.013903    0.013903    0.000000    0.000000   -0.000000
    0.198515    0.017418    0.017418    0.017418    0.000000    0.000000   -0.000000
    0.238218    0.020960    0.020960    0.020960    0.000000    0.000000   -0.000000
    0.277921    0.024534    0.024534    0.024534    0.000000    0.000000   -0.000000
    0.317624    0.028147    0.028147    0.028147    0.000000    0.000000   -0.000000
    0.357327    0.031803    0.031803    0.031803    0.000000    0.000000   -0.000000
    0.397030    0.035509    0.035509    0.035509    0.000000    0.000000   -0.000000
    0.436733    0.039272    0.039272    0.039272    0.000000    0.000000   -0.000000
    0.476436    0.043098    0.043098    0.043098    0.000000    0.000000   -0.000000
    0.516139    0.046993    0.046993    0.046993    0.000000    0.000000   -0.000000
    0.555842    0.050965    0.050965    0.050965    0.000000    0.000000   -0.000000
    0.595545    0.055022    0.055022    0.055022    0.000000    0.000000   -0.000000
    0.635248    0.059171    0.059171    0.059171    0.000000    0.000000   -0.000000
    0.674951    0.063421    0.063421    0.063421    0.000000    0.000000   -0.000000
    0.714654    0.067780    0.067780    0.067780    0.000000    0.000000   -0.000000
    0.754357    0.072259    0.072259    0.072259    0.000000    0.000000   -0.000000
    0.794060    0.076868    0.076868    0.076868    0.000000    0.000000   -0.000000
    0.833763    0.081616    0.081616    0.081616    0.000000    0.000000   -0.000000
    0.873466    0.086516    0.086516    0.086516    0.000000    0.000000   -0.000000
    0.913169    0.091580    0.091580    0.091580    0.000000    0.000000   -0.000000
    0.952872    0.096822    0.096822    0.096822    0.000000    0.000000   -0.000000
    0.992575    0.102257    0.102257    0.102257    0.000000    0.000000   -0.000000
    1.032278    0.107899    0.107899    0.107899    0.000000    0.000000   -0.000000
    1.071981    0.113766    0.113766    0.113766    0.000000    0.000000   -0.000000
    1.111684    0.119876    0.119876    0.119876    0.000000    0.000000   -0.000000
    1.151387    0.126251    0.126251    0.126251    0.000000    0.000000   -0.000000
    1.191090    0.132912    0.132912    0.132912    0.000000    0.000000   -0.000000
    1.230793    0.139883    0.139883    0.139883    0.000000    0.000000   -0.000000
    1.270496    0.147192    0.147192    0.147192    0.000000    0.000000   -0.000000
    1.310199    0.154868    0.154868    0.154868    0.000000    0.000000   -0.000000
    1.349902    0.162945    0.162945    0.162945    0.000000    0.000000   -0.000000
    1.389605    0.171459    0.171459    0.171459    0.000000    0.000000   -0.000000
    1.429308    0.180450    0.180450    0.180450    0.000000    0.000000   -0.000000
    1.469011    0.189964    0.189964    0.189964    0.000000    0.000000   -0.000000
    1.508714    0.200053    0.200053    0.200053    0.000000    0.000000   -0.000000
    1.548417    0.210775    0.210775    0.210775    0.000000    0.000000   -0.000000
    1.588120    0.222194    0.222194    0.222194    0.000000    0.000000   -0.000000
    1.627823    0.234386    0.234386    0.234386    0.000000    0.000000   -0.000000
    1.667526    0.247434    0.247434    0.247434    0.000000    0.000000   -0.000000
    1.707229    0.261437    0.261437    0.261437    0.000000    0.000000   -0.000000
    1.746932    0.276506    0.276506    0.276506    0.000000    0.000000   -0.000000
    1.786635    0.292772    0.292772    0.292772    0.000000    0.000000   -0.000000
    1.826338    0.310387    0.310387    0.310387    0.000000    0.000000   -0.000000
    1.866041    0.329529    0.329529    0.329529    0.000000    0.000000   -0.000000
    1.905744    0.350411    0.350411    0.350411    0.000000    0.000000   -0.000000
    1.945447    0.373284    0.373284    0.373284    0.000000    0.000000   -0.000000
    1.985150    0.398453    0.398453    0.398453    0.000000    0.000000   -0.000000
    2.024853    0.426288    0.426288    0.426288    0.000000    0.000000   -0.000000
    2.064556    0.457244    0.457244    0.457244    0.000000    0.000000   -0.000000
    2.104259    0.491889    0.491889    0.491889    0.000000    0.000000   -0.000000
    2.143962    0.530939    0.530939    0.530939    0.000000    0.000000   -0.000000
    2.183665    0.575317    0.575317    0.575317    0.000000    0.000000   -0.000000
    2.223368    0.626230    0.626230    0.626230    0.000000    0.000000   -0.000000
    2.263071    0.685291    0.685291    0.685291    0.000000    0.000000   -0.000000
    2.302773    0.754716    0.754716    0.754716    0.000000    0.000000   -0.000000
    2.342476    0.837639    0.837639    0.837639    0.000000    0.000000   -0.000000
    2.382179    0.938633    0.938633    0.938633    0.000000    0.000000   -0.000000
    2.421882    1.064613    1.064613    1.064613    0.000000    0.000000   -0.000000
    2.461585    1.226281    1.226281    1.226281    0.000000    0.000000   -0.000000
    2.501288    1.439931    1.439931    1.439931    0.000000    0.000000   -0.000000
    2.540991    1.727657    1.727657    1.727657    0.000000    0.000000   -0.000000
    2.580694    2.112486    2.112486    2.112486    0.000000    0.000000   -0.000000
    2.620397    2.610801    2.610801    2.610801    0.000000    0.000000   -0.000000
    2.660100    3.231690    3.231690    3.231690    0.000000    0.000000   -0.000000
    2.699803    3.980786    3.980786    3.980786    0.000000    0.000000   -0.000000
    2.739506    4.840034    4.840034    4.840034    0.000000    0.000000   -0.000000
    2.779209    5.740850    5.740850    5.740850    0.000000   -0.000000   -0.000000
    2.818912    6.606645    6.606645    6.606645    0.000000   -0.000000   -0.000000
    2.858615    7.398073    7.398073    7.398073    0.000000   -0.000000   -0.000000
    2.898318    8.107766    8.107766    8.107766    0.000000    0.000000   -0.000000
    2.938021    8.751138    8.751138    8.751138    0.000000    0.000000   -0.000000
    2.977724    9.361054    9.361054    9.361054    0.000000    0.000000   -0.000000
    3.017427    9.961436    9.961436    9.961436    0.000000    0.000000   -0.000000
    3.057130   10.550378   10.550378   10.550378    0.000000    0.000000   -0.000000
    3.096833   11.111250   11.111250   11.111250    0.000000    0.000000   -0.000000
    3.136536   11.631861   11.631861   11.631861    0.000000    0.000000   -0.000000
    3.176239   12.115728   12.115728   12.115728    0.000000    0.000000   -0.000000
    3.215942   12.577516   12.577516   12.577516    0.000000    0.000000   -0.000000
    3.255645   13.037321   13.037321   13.037321    0.000000    0.000000   -0.000000
    3.295348   13.515368   13.515368   13.515368    0.000000    0.000000   -0.000000
    3.335051   14.026991   14.026991   14.026991    0.000000    0.000000   -0.000000
    3.374754   14.578837   14.578837   14.578837    0.000000    0.000000   -0.000000
    3.414457   15.176705   15.176705   15.176705    0.000000   -0.000000   -0.000000
    3.454160   15.836695   15.836695   15.836695    0.000000   -0.000000   -0.000000
    3.493863   16.573493   16.573493   16.573493    0.000000   -0.000000   -0.000000
    3.533566   17.385933   17.385933   17.385933    0.000000   -0.000000   -0.000000
    3.573269   18.252505   18.252505   18.252505    0.000000   -0.000000   -0.000000
    3.612972   19.128959   19.128959   19.128959    0.000000   -0.000000   -0.000000
    3.652675   19.936092   19.936092   19.936092    0.000000    0.000000   -0.000000
    3.692378   20.543437   20.543437   20.543437    0.000000    0.000000   -0.000000
    3.732081   20.815525   20.815525   20.815525    0.000000    0.000000   -0.000000
    3.771784   20.728834   20.728834   20.728834    0.000000    0.000000   -0.000000
    3.811487   20.372047   20.372047   20.372047    0.000000    0.000000   -0.000000
    3.851190   19.848543   19.848543   19.848543    0.000000    0.000000   -0.000000
    3.890893   19.231150   19.231150   19.231150    0.000000    0.000000   -0.000000
    3.930596   18.565921   18.565921   18.565921    0.000000    0.000000   -0.000000
    3.970299   17.880299   17.880299   17.880299    0.000000    0.000000   -0.000000
    4.010002   17.189035   17.189035   17.189035    0.000000    0.000000   -0.000000
    4.049705   16.500006   16.500006   16.500006    0.000000    0.000000   -0.000000
    4.089408   15.816783   15.816783   15.816783    0.000000    0.000000   -0.000000
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   73.291722    0.000070    0.000070    0.000070    0.000000    0.000000   -0.000000
   73.331425    0.000070    0.000070    0.000070    0.000000    0.000000   -0.000000
   73.371128    0.000070    0.000070    0.000070    0.000000    0.000000   -0.000000
   73.410831    0.000070    0.000070    0.000070    0.000000    0.000000   -0.000000
   73.450534    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.490237    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.529940    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.569643    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.609346    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.649049    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.688752    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.728455    0.000069    0.000069    0.000069    0.000000    0.000000   -0.000000
   73.768158    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   73.807861    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   73.847564    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   73.887267    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   73.926970    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   73.966673    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   74.006376    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   74.046079    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   74.085782    0.000068    0.000068    0.000068    0.000000    0.000000   -0.000000
   74.125485    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.165188    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.204891    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.244594    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.284297    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.324000    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.363703    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.403406    0.000067    0.000067    0.000067    0.000000    0.000000   -0.000000
   74.443109    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.482812    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.522515    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.562218    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.601921    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.641624    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.681327    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.721030    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.760733    0.000066    0.000066    0.000066    0.000000    0.000000   -0.000000
   74.800436    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   74.840139    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   74.879842    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   74.919545    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   74.959248    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   74.998951    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   75.038654    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   75.078357    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   75.118059    0.000065    0.000065    0.000065    0.000000    0.000000   -0.000000
   75.157762    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.197465    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.237168    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.276871    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.316574    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.356277    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.395980    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.435683    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.475386    0.000064    0.000064    0.000064    0.000000    0.000000   -0.000000
   75.515089    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.554792    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.594495    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.634198    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.673901    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.713604    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.753307    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.793010    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.832713    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.872416    0.000063    0.000063    0.000063    0.000000    0.000000   -0.000000
   75.912119    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   75.951822    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   75.991525    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.031228    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.070931    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.110634    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.150337    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.190040    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.229743    0.000062    0.000062    0.000062    0.000000    0.000000   -0.000000
   76.269446    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.309149    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.348852    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.388555    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.428258    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.467961    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.507664    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.547367    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.587070    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.626773    0.000061    0.000061    0.000061    0.000000    0.000000   -0.000000
   76.666476    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.706179    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.745882    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.785585    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.825288    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.864991    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.904694    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.944397    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   76.984100    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   77.023803    0.000060    0.000060    0.000060    0.000000    0.000000   -0.000000
   77.063506    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.103209    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.142912    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.182615    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.222318    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.262021    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.301724    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.341427    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.381130    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.420833    0.000059    0.000059    0.000059    0.000000    0.000000   -0.000000
   77.460536    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.500239    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.539942    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.579645    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.619348    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.659051    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.698754    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.738457    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.778160    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.817863    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.857566    0.000058    0.000058    0.000058    0.000000    0.000000   -0.000000
   77.897269    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   77.936972    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   77.976675    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.016378    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.056081    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.095784    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.135487    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.175190    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.214893    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.254596    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.294299    0.000057    0.000057    0.000057    0.000000    0.000000   -0.000000
   78.334002    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.373705    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.413408    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.453111    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.492814    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.532517    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.572220    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.611923    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.651626    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.691329    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.731032    0.000056    0.000056    0.000056    0.000000    0.000000   -0.000000
   78.770735    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   78.810438    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   78.850141    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   78.889844    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   78.929547    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   78.969250    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.008953    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.048656    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.088359    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.128062    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.167765    0.000055    0.000055    0.000055    0.000000    0.000000   -0.000000
   79.207468    0.000054    0.000054    0.000054    0.000000    0.000000   -0.000000
   79.247171    0.000054    0.000054    0.000054    0.000000    0.000000   -0.000000
   79.286874    0.000054    0.000054    0.000054    0.000000    0.000000   -0.000000
   79.326577    0.000054    0.000054    0.000054    0.000000    0.000000   -0.000000
   79.366280    0.000054    0.000054    0.000054    0.000000    0.000000   -0.000000
   79.405983    0.000054    0.000054    0.000054    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    7.332087    7.332087    7.332087    0.000000    0.000000   -0.000000
    0.039703    7.332772    7.332772    7.332772    0.000000    0.000000   -0.000000
    0.079406    7.334828    7.334828    7.334828    0.000000    0.000000   -0.000000
    0.119109    7.338259    7.338259    7.338259    0.000000    0.000000   -0.000000
    0.158812    7.343069    7.343069    7.343069    0.000000    0.000000   -0.000000
    0.198515    7.349265    7.349265    7.349265    0.000000    0.000000   -0.000000
    0.238218    7.356858    7.356858    7.356858    0.000000    0.000000   -0.000000
    0.277921    7.365859    7.365859    7.365859    0.000000    0.000000   -0.000000
    0.317624    7.376281    7.376281    7.376281    0.000000    0.000000   -0.000000
    0.357327    7.388141    7.388141    7.388141    0.000000    0.000000   -0.000000
    0.397030    7.401457    7.401457    7.401457    0.000000    0.000000   -0.000000
    0.436733    7.416250    7.416250    7.416250    0.000000    0.000000   -0.000000
    0.476436    7.432544    7.432544    7.432544    0.000000    0.000000   -0.000000
    0.516139    7.450364    7.450364    7.450364    0.000000    0.000000   -0.000000
    0.555842    7.469739    7.469739    7.469739    0.000000    0.000000   -0.000000
    0.595545    7.490702    7.490702    7.490702    0.000000    0.000000   -0.000000
    0.635248    7.513287    7.513287    7.513287    0.000000    0.000000   -0.000000
    0.674951    7.537531    7.537531    7.537531    0.000000    0.000000   -0.000000
    0.714654    7.563476    7.563476    7.563476    0.000000    0.000000   -0.000000
    0.754357    7.591168    7.591168    7.591168    0.000000    0.000000   -0.000000
    0.794060    7.620654    7.620654    7.620654    0.000000    0.000000   -0.000000
    0.833763    7.651988    7.651988    7.651988    0.000000    0.000000   -0.000000
    0.873466    7.685226    7.685226    7.685226    0.000000    0.000000   -0.000000
    0.913169    7.720432    7.720432    7.720432    0.000000    0.000000   -0.000000
    0.952872    7.757671    7.757671    7.757671    0.000000    0.000000   -0.000000
    0.992575    7.797016    7.797016    7.797016    0.000000    0.000000   -0.000000
    1.032278    7.838546    7.838546    7.838546    0.000000    0.000000   -0.000000
    1.071981    7.882345    7.882345    7.882345    0.000000    0.000000   -0.000000
    1.111684    7.928504    7.928504    7.928504    0.000000    0.000000   -0.000000
    1.151387    7.977124    7.977124    7.977124    0.000000    0.000000   -0.000000
    1.191090    8.028311    8.028311    8.028311    0.000000    0.000000   -0.000000
    1.230793    8.082181    8.082181    8.082181    0.000000    0.000000   -0.000000
    1.270496    8.138861    8.138861    8.138861    0.000000    0.000000   -0.000000
    1.310199    8.198489    8.198489    8.198489    0.000000    0.000000   -0.000000
    1.349902    8.261214    8.261214    8.261214    0.000000    0.000000   -0.000000
    1.389605    8.327198    8.327198    8.327198    0.000000    0.000000   -0.000000
    1.429308    8.396619    8.396619    8.396619    0.000000    0.000000   -0.000000
    1.469011    8.469671    8.469671    8.469671    0.000000    0.000000   -0.000000
    1.508714    8.546568    8.546568    8.546568    0.000000    0.000000   -0.000000
    1.548417    8.627541    8.627541    8.627541    0.000000    0.000000   -0.000000
    1.588120    8.712849    8.712849    8.712849    0.000000    0.000000   -0.000000
    1.627823    8.802773    8.802773    8.802773    0.000000    0.000000   -0.000000
    1.667526    8.897629    8.897629    8.897629    0.000000    0.000000   -0.000000
    1.707229    8.997762    8.997762    8.997762    0.000000    0.000000   -0.000000
    1.746932    9.103560    9.103560    9.103560    0.000000    0.000000   -0.000000
    1.786635    9.215454    9.215454    9.215454    0.000000    0.000000   -0.000000
    1.826338    9.333929    9.333929    9.333929    0.000000    0.000000   -0.000000
    1.866041    9.459528    9.459528    9.459528    0.000000    0.000000   -0.000000
    1.905744    9.592869    9.592869    9.592869    0.000000    0.000000   -0.000000
    1.945447    9.734649    9.734649    9.734649    0.000000    0.000000   -0.000000
    1.985150    9.885669    9.885669    9.885669    0.000000    0.000000   -0.000000
    2.024853   10.046845   10.046845   10.046845    0.000000    0.000000   -0.000000
    2.064556   10.219238   10.219238   10.219238    0.000000    0.000000   -0.000000
    2.104259   10.404082   10.404082   10.404082    0.000000    0.000000   -0.000000
    2.143962   10.602824   10.602824   10.602824    0.000000    0.000000   -0.000000
    2.183665   10.817173   10.817173   10.817173    0.000000    0.000000   -0.000000
    2.223368   11.049166   11.049166   11.049166    0.000000    0.000000   -0.000000
    2.263071   11.301246   11.301246   11.301246    0.000000    0.000000   -0.000000
    2.302773   11.576364   11.576364   11.576364    0.000000    0.000000   -0.000000
    2.342476   11.878096   11.878096   11.878096    0.000000    0.000000   -0.000000
    2.382179   12.210724   12.210724   12.210724    0.000000    0.000000   -0.000000
    2.421882   12.579187   12.579187   12.579187    0.000000    0.000000   -0.000000
    2.461585   12.988462   12.988462   12.988462    0.000000    0.000000   -0.000000
    2.501288   13.441418   13.441418   13.441418    0.000000    0.000000   -0.000000
    2.540991   13.934086   13.934086   13.934086    0.000000    0.000000   -0.000000
    2.580694   14.450782   14.450782   14.450782    0.000000    0.000000   -0.000000
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   76.587070    0.977529    0.977529    0.977529   -0.000000   -0.000000    0.000000
   76.626773    0.977553    0.977553    0.977553   -0.000000   -0.000000    0.000000
   76.666476    0.977577    0.977577    0.977577   -0.000000   -0.000000    0.000000
   76.706179    0.977601    0.977601    0.977601   -0.000000   -0.000000    0.000000
   76.745882    0.977625    0.977625    0.977625   -0.000000   -0.000000    0.000000
   76.785585    0.977648    0.977648    0.977648   -0.000000   -0.000000    0.000000
   76.825288    0.977672    0.977672    0.977672   -0.000000   -0.000000    0.000000
   76.864991    0.977696    0.977696    0.977696   -0.000000   -0.000000    0.000000
   76.904694    0.977720    0.977720    0.977720   -0.000000   -0.000000    0.000000
   76.944397    0.977744    0.977744    0.977744   -0.000000   -0.000000    0.000000
   76.984100    0.977767    0.977767    0.977767   -0.000000   -0.000000    0.000000
   77.023803    0.977791    0.977791    0.977791   -0.000000   -0.000000    0.000000
   77.063506    0.977815    0.977815    0.977815   -0.000000   -0.000000    0.000000
   77.103209    0.977838    0.977838    0.977838   -0.000000   -0.000000    0.000000
   77.142912    0.977862    0.977862    0.977862   -0.000000   -0.000000    0.000000
   77.182615    0.977885    0.977885    0.977885   -0.000000   -0.000000    0.000000
   77.222318    0.977909    0.977909    0.977909   -0.000000   -0.000000    0.000000
   77.262021    0.977932    0.977932    0.977932   -0.000000   -0.000000    0.000000
   77.301724    0.977956    0.977956    0.977956   -0.000000   -0.000000    0.000000
   77.341427    0.977979    0.977979    0.977979   -0.000000   -0.000000    0.000000
   77.381130    0.978002    0.978002    0.978002   -0.000000   -0.000000    0.000000
   77.420833    0.978026    0.978026    0.978026   -0.000000   -0.000000    0.000000
   77.460536    0.978049    0.978049    0.978049   -0.000000   -0.000000    0.000000
   77.500239    0.978072    0.978072    0.978072   -0.000000   -0.000000    0.000000
   77.539942    0.978095    0.978095    0.978095   -0.000000   -0.000000    0.000000
   77.579645    0.978118    0.978118    0.978118   -0.000000   -0.000000    0.000000
   77.619348    0.978141    0.978141    0.978141   -0.000000   -0.000000    0.000000
   77.659051    0.978164    0.978164    0.978164   -0.000000   -0.000000    0.000000
   77.698754    0.978187    0.978187    0.978187   -0.000000   -0.000000    0.000000
   77.738457    0.978210    0.978210    0.978210   -0.000000   -0.000000    0.000000
   77.778160    0.978233    0.978233    0.978233   -0.000000   -0.000000    0.000000
   77.817863    0.978256    0.978256    0.978256   -0.000000   -0.000000    0.000000
   77.857566    0.978279    0.978279    0.978279   -0.000000   -0.000000    0.000000
   77.897269    0.978302    0.978302    0.978302   -0.000000   -0.000000    0.000000
   77.936972    0.978325    0.978325    0.978325   -0.000000   -0.000000    0.000000
   77.976675    0.978348    0.978348    0.978348   -0.000000   -0.000000    0.000000
   78.016378    0.978370    0.978370    0.978370   -0.000000   -0.000000    0.000000
   78.056081    0.978393    0.978393    0.978393   -0.000000   -0.000000    0.000000
   78.095784    0.978416    0.978416    0.978416   -0.000000   -0.000000    0.000000
   78.135487    0.978438    0.978438    0.978438   -0.000000   -0.000000    0.000000
   78.175190    0.978461    0.978461    0.978461   -0.000000   -0.000000    0.000000
   78.214893    0.978483    0.978483    0.978483   -0.000000   -0.000000    0.000000
   78.254596    0.978506    0.978506    0.978506   -0.000000   -0.000000    0.000000
   78.294299    0.978528    0.978528    0.978528   -0.000000   -0.000000    0.000000
   78.334002    0.978551    0.978551    0.978551   -0.000000   -0.000000    0.000000
   78.373705    0.978573    0.978573    0.978573   -0.000000   -0.000000    0.000000
   78.413408    0.978595    0.978595    0.978595   -0.000000   -0.000000    0.000000
   78.453111    0.978618    0.978618    0.978618   -0.000000   -0.000000    0.000000
   78.492814    0.978640    0.978640    0.978640   -0.000000   -0.000000    0.000000
   78.532517    0.978662    0.978662    0.978662   -0.000000   -0.000000    0.000000
   78.572220    0.978684    0.978684    0.978684   -0.000000   -0.000000    0.000000
   78.611923    0.978707    0.978707    0.978707   -0.000000   -0.000000    0.000000
   78.651626    0.978729    0.978729    0.978729   -0.000000   -0.000000    0.000000
   78.691329    0.978751    0.978751    0.978751   -0.000000   -0.000000    0.000000
   78.731032    0.978773    0.978773    0.978773   -0.000000   -0.000000    0.000000
   78.770735    0.978795    0.978795    0.978795   -0.000000   -0.000000    0.000000
   78.810438    0.978817    0.978817    0.978817   -0.000000   -0.000000    0.000000
   78.850141    0.978839    0.978839    0.978839   -0.000000   -0.000000    0.000000
   78.889844    0.978861    0.978861    0.978861   -0.000000   -0.000000    0.000000
   78.929547    0.978883    0.978883    0.978883   -0.000000   -0.000000    0.000000
   78.969250    0.978905    0.978905    0.978905   -0.000000   -0.000000    0.000000
   79.008953    0.978926    0.978926    0.978926   -0.000000   -0.000000    0.000000
   79.048656    0.978948    0.978948    0.978948   -0.000000   -0.000000    0.000000
   79.088359    0.978970    0.978970    0.978970   -0.000000   -0.000000    0.000000
   79.128062    0.978992    0.978992    0.978992   -0.000000   -0.000000    0.000000
   79.167765    0.979013    0.979013    0.979013   -0.000000   -0.000000    0.000000
   79.207468    0.979035    0.979035    0.979035   -0.000000   -0.000000    0.000000
   79.247171    0.979057    0.979057    0.979057   -0.000000   -0.000000    0.000000
   79.286874    0.979078    0.979078    0.979078   -0.000000   -0.000000    0.000000
   79.326577    0.979100    0.979100    0.979100   -0.000000   -0.000000    0.000000
   79.366280    0.979121    0.979121    0.979121   -0.000000   -0.000000    0.000000
   79.405983    0.979143    0.979143    0.979143   -0.000000   -0.000000    0.000000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   30.424136   30.424136   30.424136    0.000000   -0.000000   -0.000000
    0.039703   30.424136   30.424136   30.424136    0.000000   -0.000000   -0.000000
    0.079406   15.222047   15.222047   15.222047    0.000000   -0.000000   -0.000000
    0.119109   10.159137   10.159137   10.159137    0.000000   -0.000000   -0.000000
    0.158812    7.631039    7.631039    7.631039    0.000000   -0.000000   -0.000000
    0.198515    6.116889    6.116889    6.116889    0.000000   -0.000000   -0.000000
    0.238218    5.109736    5.109736    5.109736    0.000000   -0.000000   -0.000000
    0.277921    4.392320    4.392320    4.392320    0.000000   -0.000000   -0.000000
    0.317624    3.856015    3.856015    3.856015    0.000000   -0.000000   -0.000000
    0.357327    3.440478    3.440478    3.440478    0.000000   -0.000000   -0.000000
    0.397030    3.109505    3.109505    3.109505    0.000000   -0.000000   -0.000000
    0.436733    2.840064    2.840064    2.840064    0.000000   -0.000000   -0.000000
    0.476436    2.616800    2.616800    2.616800    0.000000   -0.000000   -0.000000
    0.516139    2.429087    2.429087    2.429087    0.000000   -0.000000   -0.000000
    0.555842    2.269339    2.269339    2.269339    0.000000   -0.000000   -0.000000
    0.595545    2.131996    2.131996    2.131996    0.000000   -0.000000   -0.000000
    0.635248    2.012891    2.012891    2.012891    0.000000   -0.000000   -0.000000
    0.674951    1.908839    1.908839    1.908839    0.000000   -0.000000   -0.000000
    0.714654    1.817368    1.817368    1.817368    0.000000   -0.000000   -0.000000
    0.754357    1.736530    1.736530    1.736530    0.000000   -0.000000   -0.000000
    0.794060    1.664768    1.664768    1.664768    0.000000   -0.000000   -0.000000
    0.833763    1.600827    1.600827    1.600827    0.000000   -0.000000   -0.000000
    0.873466    1.543683    1.543683    1.543683    0.000000   -0.000000   -0.000000
    0.913169    1.492493    1.492493    1.492493    0.000000   -0.000000   -0.000000
    0.952872    1.446561    1.446561    1.446561    0.000000   -0.000000   -0.000000
    0.992575    1.405303    1.405303    1.405303    0.000000   -0.000000   -0.000000
    1.032278    1.368234    1.368234    1.368234    0.000000   -0.000000   -0.000000
    1.071981    1.334941    1.334941    1.334941    0.000000   -0.000000   -0.000000
    1.111684    1.305078    1.305078    1.305078    0.000000   -0.000000   -0.000000
    1.151387    1.278351    1.278351    1.278351    0.000000   -0.000000   -0.000000
    1.191090    1.254512    1.254512    1.254512    0.000000   -0.000000   -0.000000
    1.230793    1.233350    1.233350    1.233350    0.000000   -0.000000   -0.000000
    1.270496    1.214688    1.214688    1.214688    0.000000   -0.000000   -0.000000
    1.310199    1.198379    1.198379    1.198379    0.000000   -0.000000   -0.000000
    1.349902    1.184301    1.184301    1.184301    0.000000   -0.000000   -0.000000
    1.389605    1.172354    1.172354    1.172354    0.000000   -0.000000   -0.000000
    1.429308    1.162461    1.162461    1.162461    0.000000   -0.000000   -0.000000
    1.469011    1.154564    1.154564    1.154564    0.000000   -0.000000   -0.000000
    1.508714    1.148623    1.148623    1.148623    0.000000   -0.000000   -0.000000
    1.548417    1.144617    1.144617    1.144617    0.000000   -0.000000   -0.000000
    1.588120    1.142544    1.142544    1.142544    0.000000   -0.000000   -0.000000
    1.627823    1.142419    1.142419    1.142419    0.000000   -0.000000   -0.000000
    1.667526    1.144278    1.144278    1.144278    0.000000   -0.000000   -0.000000
    1.707229    1.148176    1.148176    1.148176    0.000000   -0.000000   -0.000000
    1.746932    1.154194    1.154194    1.154194    0.000000   -0.000000   -0.000000
    1.786635    1.162434    1.162434    1.162434    0.000000   -0.000000   -0.000000
    1.826338    1.173032    1.173032    1.173032    0.000000   -0.000000   -0.000000
    1.866041    1.186156    1.186156    1.186156    0.000000   -0.000000   -0.000000
    1.905744    1.202016    1.202016    1.202016    0.000000   -0.000000   -0.000000
    1.945447    1.220870    1.220870    1.220870    0.000000   -0.000000   -0.000000
    1.985150    1.243039    1.243039    1.243039    0.000000   -0.000000   -0.000000
    2.024853    1.268918    1.268918    1.268918    0.000000   -0.000000   -0.000000
    2.064556    1.299002    1.299002    1.299002    0.000000   -0.000000   -0.000000
    2.104259    1.333909    1.333909    1.333909    0.000000   -0.000000   -0.000000
    2.143962    1.374427    1.374427    1.374427    0.000000   -0.000000   -0.000000
    2.183665    1.421567    1.421567    1.421567    0.000000   -0.000000   -0.000000
    2.223368    1.476651    1.476651    1.476651    0.000000   -0.000000   -0.000000
    2.263071    1.541444    1.541444    1.541444    0.000000   -0.000000   -0.000000
    2.302773    1.618356    1.618356    1.618356    0.000000   -0.000000   -0.000000
    2.342476    1.710767    1.710767    1.710767    0.000000   -0.000000   -0.000000
    2.382179    1.823575    1.823575    1.823575    0.000000   -0.000000   -0.000000
    2.421882    1.964099    1.964099    1.964099    0.000000   -0.000000   -0.000000
    2.461585    2.143503    2.143503    2.143503    0.000000   -0.000000   -0.000000
    2.501288    2.378424    2.378424    2.378424    0.000000    0.000000   -0.000000
    2.540991    2.690696    2.690696    2.690696    0.000000    0.000000   -0.000000
    2.580694    3.101942    3.101942    3.101942    0.000000    0.000000   -0.000000
    2.620397    3.626497    3.626497    3.626497    0.000000    0.000000   -0.000000
    2.660100    4.271734    4.271734    4.271734    0.000000    0.000000   -0.000000
    2.699803    5.039736    5.039736    5.039736    0.000000    0.000000   -0.000000
    2.739506    5.904647    5.904647    5.904647    0.000000    0.000000   -0.000000
    2.779209    6.791511    6.791511    6.791511    0.000000    0.000000   -0.000000
    2.818912    7.621875    7.621875    7.621875    0.000000    0.000000   -0.000000
    2.858615    8.356785    8.356785    8.356785    0.000000    0.000000   -0.000000
    2.898318    8.993857    8.993857    8.993857    0.000000    0.000000   -0.000000
    2.938021    9.556873    9.556873    9.556873    0.000000    0.000000   -0.000000
    2.977724   10.084834   10.084834   10.084834    0.000000    0.000000   -0.000000
    3.017427   10.603527   10.603527   10.603527    0.000000   -0.000000   -0.000000
    3.057130   11.111430   11.111430   11.111430    0.000000   -0.000000   -0.000000
    3.096833   11.593424   11.593424   11.593424    0.000000    0.000000   -0.000000
    3.136536   12.040354   12.040354   12.040354    0.000000    0.000000   -0.000000
    3.176239   12.458598   12.458598   12.458598    0.000000    0.000000   -0.000000
    3.215942   12.862713   12.862713   12.862713    0.000000    0.000000   -0.000000
    3.255645   13.268960   13.268960   13.268960    0.000000    0.000000   -0.000000
    3.295348   13.692650   13.692650   13.692650    0.000000    0.000000   -0.000000
    3.335051   14.145981   14.145981   14.145981    0.000000    0.000000   -0.000000
    3.374754   14.635571   14.635571   14.635571    0.000000    0.000000   -0.000000
    3.414457   15.169493   15.169493   15.169493    0.000000   -0.000000   -0.000000
    3.454160   15.766522   15.766522   15.766522    0.000000   -0.000000   -0.000000
    3.493863   16.442864   16.442864   16.442864    0.000000   -0.000000   -0.000000
    3.533566   17.196846   17.196846   17.196846    0.000000   -0.000000   -0.000000
    3.573269   18.004899   18.004899   18.004899    0.000000   -0.000000   -0.000000
    3.612972   18.819869   18.819869   18.819869    0.000000   -0.000000   -0.000000
    3.652675   19.557650   19.557650   19.557650    0.000000   -0.000000   -0.000000
    3.692378   20.081350   20.081350   20.081350    0.000000   -0.000000   -0.000000
    3.732081   20.254796   20.254796   20.254796    0.000000   -0.000000   -0.000000
    3.771784   20.063062   20.063062   20.063062    0.000000   -0.000000   -0.000000
    3.811487   19.603517   19.603517   19.603517    0.000000   -0.000000   -0.000000
    3.851190   18.984491   18.984491   18.984491    0.000000   -0.000000   -0.000000
    3.890893   18.281600   18.281600   18.281600    0.000000   -0.000000   -0.000000
    3.930596   17.542539   17.542539   17.542539    0.000000   -0.000000   -0.000000
    3.970299   16.795814   16.795814   16.795814    0.000000   -0.000000   -0.000000
    4.010002   16.056812   16.056812   16.056812    0.000000   -0.000000   -0.000000
    4.049705   15.333658   15.333658   15.333658    0.000000   -0.000000   -0.000000
    4.089408   14.629881   14.629881   14.629881    0.000000   -0.000000   -0.000000
    4.129111   13.943554   13.943554   13.943554    0.000000   -0.000000   -0.000000
    4.168814   13.267415   13.267415   13.267415    0.000000   -0.000000   -0.000000
    4.208517   12.592744   12.592744   12.592744    0.000000   -0.000000   -0.000000
    4.248220   11.915345   11.915345   11.915345    0.000000   -0.000000   -0.000000
    4.287923   11.240966   11.240966   11.240966    0.000000   -0.000000   -0.000000
    4.327626   10.592905   10.592905   10.592905    0.000000   -0.000000   -0.000000
    4.367329   10.015307   10.015307   10.015307    0.000000   -0.000000   -0.000000
    4.407032    9.555586    9.555586    9.555586    0.000000   -0.000000   -0.000000
    4.446735    9.230750    9.230750    9.230750    0.000000   -0.000000   -0.000000
    4.486438    9.002320    9.002320    9.002320    0.000000   -0.000000   -0.000000
    4.526141    8.777809    8.777809    8.777809    0.000000   -0.000000   -0.000000
    4.565844    8.473194    8.473194    8.473194    0.000000   -0.000000   -0.000000
    4.605547    8.104458    8.104458    8.104458    0.000000   -0.000000   -0.000000
    4.645250    7.748640    7.748640    7.748640    0.000000   -0.000000   -0.000000
    4.684953    7.447233    7.447233    7.447233    0.000000   -0.000000   -0.000000
    4.724656    7.194918    7.194918    7.194918    0.000000   -0.000000   -0.000000
    4.764359    6.973637    6.973637    6.973637    0.000000   -0.000000   -0.000000
    4.804062    6.770029    6.770029    6.770029    0.000000   -0.000000   -0.000000
    4.843765    6.577486    6.577486    6.577486    0.000000   -0.000000   -0.000000
    4.883468    6.394301    6.394301    6.394301    0.000000   -0.000000   -0.000000
    4.923171    6.220444    6.220444    6.220444    0.000000   -0.000000   -0.000000
    4.962874    6.054972    6.054972    6.054972    0.000000   -0.000000   -0.000000
    5.002577    5.896035    5.896035    5.896035    0.000000   -0.000000   -0.000000
    5.042280    5.741998    5.741998    5.741998    0.000000   -0.000000   -0.000000
    5.081983    5.591370    5.591370    5.591370    0.000000   -0.000000   -0.000000
    5.121686    5.442044    5.442044    5.442044    0.000000   -0.000000   -0.000000
    5.161389    5.289911    5.289911    5.289911    0.000000   -0.000000   -0.000000
    5.201092    5.128731    5.128731    5.128731    0.000000   -0.000000   -0.000000
    5.240795    4.953481    4.953481    4.953481    0.000000   -0.000000   -0.000000
    5.280498    4.765983    4.765983    4.765983    0.000000   -0.000000   -0.000000
    5.320201    4.576998    4.576998    4.576998    0.000000   -0.000000   -0.000000
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   74.324000    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.363703    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.403406    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.443109    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.482812    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.522515    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.562218    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.601921    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.641624    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.681327    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.721030    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.760733    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.800436    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.840139    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.879842    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.919545    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.959248    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   74.998951    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.038654    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.078357    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.118059    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.157762    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.197465    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.237168    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.276871    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.316574    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.356277    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.395980    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.435683    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.475386    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.515089    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.554792    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.594495    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.634198    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.673901    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.713604    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.753307    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.793010    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.832713    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.872416    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.912119    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.951822    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   75.991525    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.031228    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.070931    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.110634    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.150337    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.190040    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.229743    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.269446    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.309149    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.348852    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.388555    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.428258    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.467961    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.507664    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.547367    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.587070    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.626773    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.666476    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.706179    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.745882    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.785585    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.825288    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.864991    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.904694    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.944397    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   76.984100    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.023803    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.063506    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.103209    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.142912    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.182615    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.222318    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.262021    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.301724    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.341427    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.381130    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.420833    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.460536    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.500239    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.539942    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.579645    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.619348    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.659051    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.698754    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.738457    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.778160    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.817863    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.857566    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.897269    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.936972    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   77.976675    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.016378    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.056081    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.095784    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.135487    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.175190    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.214893    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.254596    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.294299    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.334002    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.373705    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.413408    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.453111    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.492814    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.532517    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.572220    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.611923    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.651626    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.691329    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.731032    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.770735    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.810438    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.850141    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.889844    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.929547    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   78.969250    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.008953    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.048656    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.088359    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.128062    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.167765    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.207468    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.247171    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.286874    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.326577    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.366280    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000
   79.405983    0.000002    0.000002    0.000002    0.000000   -0.000000   -0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    7.022213    7.022213    7.022213    0.000000   -0.000000   -0.000000
    0.039703    7.022213    7.022213    7.022213    0.000000   -0.000000   -0.000000
    0.079406    7.024178    7.024178    7.024178    0.000000   -0.000000   -0.000000
    0.119109    7.027455    7.027455    7.027455    0.000000   -0.000000   -0.000000
    0.158812    7.032050    7.032050    7.032050    0.000000   -0.000000   -0.000000
    0.198515    7.037970    7.037970    7.037970    0.000000   -0.000000   -0.000000
    0.238218    7.045224    7.045224    7.045224    0.000000   -0.000000   -0.000000
    0.277921    7.053822    7.053822    7.053822    0.000000   -0.000000   -0.000000
    0.317624    7.063780    7.063780    7.063780    0.000000   -0.000000   -0.000000
    0.357327    7.075110    7.075110    7.075110    0.000000   -0.000000   -0.000000
    0.397030    7.087832    7.087832    7.087832    0.000000   -0.000000   -0.000000
    0.436733    7.101966    7.101966    7.101966    0.000000   -0.000000   -0.000000
    0.476436    7.117534    7.117534    7.117534    0.000000   -0.000000   -0.000000
    0.516139    7.134560    7.134560    7.134560    0.000000   -0.000000   -0.000000
    0.555842    7.153073    7.153073    7.153073    0.000000   -0.000000   -0.000000
    0.595545    7.173103    7.173103    7.173103    0.000000   -0.000000   -0.000000
    0.635248    7.194683    7.194683    7.194683    0.000000   -0.000000   -0.000000
    0.674951    7.217850    7.217850    7.217850    0.000000   -0.000000   -0.000000
    0.714654    7.242643    7.242643    7.242643    0.000000   -0.000000   -0.000000
    0.754357    7.269105    7.269105    7.269105    0.000000   -0.000000   -0.000000
    0.794060    7.297284    7.297284    7.297284    0.000000   -0.000000   -0.000000
    0.833763    7.327229    7.327229    7.327229    0.000000   -0.000000   -0.000000
    0.873466    7.358996    7.358996    7.358996    0.000000   -0.000000   -0.000000
    0.913169    7.392644    7.392644    7.392644    0.000000   -0.000000   -0.000000
    0.952872    7.428237    7.428237    7.428237    0.000000   -0.000000   -0.000000
    0.992575    7.465845    7.465845    7.465845    0.000000   -0.000000   -0.000000
    1.032278    7.505543    7.505543    7.505543    0.000000   -0.000000   -0.000000
    1.071981    7.547411    7.547411    7.547411    0.000000   -0.000000   -0.000000
    1.111684    7.591539    7.591539    7.591539    0.000000   -0.000000   -0.000000
    1.151387    7.638021    7.638021    7.638021    0.000000   -0.000000   -0.000000
    1.191090    7.686960    7.686960    7.686960    0.000000   -0.000000   -0.000000
    1.230793    7.738468    7.738468    7.738468    0.000000   -0.000000   -0.000000
    1.270496    7.792667    7.792667    7.792667    0.000000   -0.000000   -0.000000
    1.310199    7.849687    7.849687    7.849687    0.000000   -0.000000   -0.000000
    1.349902    7.909672    7.909672    7.909672    0.000000   -0.000000   -0.000000
    1.389605    7.972779    7.972779    7.972779    0.000000   -0.000000   -0.000000
    1.429308    8.039178    8.039178    8.039178    0.000000   -0.000000   -0.000000
    1.469011    8.109056    8.109056    8.109056    0.000000   -0.000000   -0.000000
    1.508714    8.182615    8.182615    8.182615    0.000000   -0.000000   -0.000000
    1.548417    8.260082    8.260082    8.260082    0.000000   -0.000000   -0.000000
    1.588120    8.341701    8.341701    8.341701    0.000000   -0.000000   -0.000000
    1.627823    8.427745    8.427745    8.427745    0.000000   -0.000000   -0.000000
    1.667526    8.518515    8.518515    8.518515    0.000000   -0.000000   -0.000000
    1.707229    8.614344    8.614344    8.614344    0.000000   -0.000000   -0.000000
    1.746932    8.715603    8.715603    8.715603    0.000000   -0.000000   -0.000000
    1.786635    8.822706    8.822706    8.822706    0.000000   -0.000000   -0.000000
    1.826338    8.936119    8.936119    8.936119    0.000000   -0.000000   -0.000000
    1.866041    9.056363    9.056363    9.056363    0.000000   -0.000000   -0.000000
    1.905744    9.184028    9.184028    9.184028    0.000000   -0.000000   -0.000000
    1.945447    9.319786    9.319786    9.319786    0.000000   -0.000000   -0.000000
    1.985150    9.464401    9.464401    9.464401    0.000000   -0.000000   -0.000000
    2.024853    9.618752    9.618752    9.618752    0.000000   -0.000000   -0.000000
    2.064556    9.783854    9.783854    9.783854    0.000000   -0.000000   -0.000000
    2.104259    9.960885    9.960885    9.960885    0.000000   -0.000000   -0.000000
    2.143962   10.151226   10.151226   10.151226    0.000000   -0.000000   -0.000000
    2.183665   10.356505   10.356505   10.356505    0.000000   -0.000000   -0.000000
    2.223368   10.578652   10.578652   10.578652    0.000000   -0.000000   -0.000000
    2.263071   10.819980   10.819980   10.819980    0.000000   -0.000000   -0.000000
    2.302773   11.083261   11.083261   11.083261    0.000000   -0.000000   -0.000000
    2.342476   11.371824   11.371824   11.371824    0.000000   -0.000000   -0.000000
    2.382179   11.689596   11.689596   11.689596    0.000000   -0.000000   -0.000000
    2.421882   12.040969   12.040969   12.040969    0.000000   -0.000000   -0.000000
    2.461585   12.430044   12.430044   12.430044    0.000000   -0.000000   -0.000000
    2.501288   12.858270   12.858270   12.858270    0.000000   -0.000000   -0.000000
    2.540991   13.319629   13.319629   13.319629    0.000000   -0.000000   -0.000000
    2.580694   13.796317   13.796317   13.796317    0.000000   -0.000000   -0.000000
    2.620397   14.261166   14.261166   14.261166    0.000000   -0.000000   -0.000000
    2.660100   14.682458   14.682458   14.682458    0.000000   -0.000000   -0.000000
    2.699803   15.017703   15.017703   15.017703    0.000000   -0.000000   -0.000000
    2.739506   15.207096   15.207096   15.207096    0.000000   -0.000000   -0.000000
    2.779209   15.214946   15.214946   15.214946    0.000000   -0.000000   -0.000000
    2.818912   15.066257   15.066257   15.066257    0.000000   -0.000000   -0.000000
    2.858615   14.818458   14.818458   14.818458    0.000000   -0.000000   -0.000000
    2.898318   14.527725   14.527725   14.527725    0.000000   -0.000000   -0.000000
    2.938021   14.236499   14.236499   14.236499    0.000000   -0.000000   -0.000000
    2.977724   13.958721   13.958721   13.958721    0.000000   -0.000000   -0.000000
    3.017427   13.678497   13.678497   13.678497    0.000000   -0.000000   -0.000000
    3.057130   13.376236   13.376236   13.376236    0.000000   -0.000000   -0.000000
    3.096833   13.049088   13.049088   13.049088    0.000000   -0.000000   -0.000000
    3.136536   12.711390   12.711390   12.711390   -0.000000   -0.000000   -0.000000
    3.176239   12.380173   12.380173   12.380173   -0.000000   -0.000000   -0.000000
    3.215942   12.064430   12.064430   12.064430   -0.000000   -0.000000   -0.000000
    3.255645   11.765544   11.765544   11.765544    0.000000   -0.000000   -0.000000
    3.295348   11.478594   11.478594   11.478594    0.000000   -0.000000   -0.000000
    3.335051   11.193385   11.193385   11.193385   -0.000000   -0.000000   -0.000000
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   79.167765    0.980042    0.980042    0.980042   -0.000000    0.000000    0.000000
   79.207468    0.980062    0.980062    0.980062   -0.000000    0.000000    0.000000
   79.247171    0.980083    0.980083    0.980083   -0.000000    0.000000    0.000000
   79.286874    0.980104    0.980104    0.980104   -0.000000    0.000000    0.000000
   79.326577    0.980124    0.980124    0.980124   -0.000000    0.000000    0.000000
   79.366280    0.980145    0.980145    0.980145   -0.000000    0.000000    0.000000
   79.405983    0.980165    0.980165    0.980165   -0.000000    0.000000    0.000000
 
 The outermost node in the dielectric function lies at epsilon=  12.1


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


    OPTICS:  cpu time   24.8936: real time    6.7137
    4ORBIT:  cpu time    0.0000: real time    0.0000



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.752   0.937   0.000   1.689
    2        0.752   0.937   0.000   1.689
--------------------------------------------------
tot          1.505   1.873   0.000   3.378



 magnetization (x)

# of ion       s       p       d       tot
------------------------------------------
    1        0.000   0.000   0.000   0.000
    2        0.000   0.000   0.000   0.000
--------------------------------------------------
tot          0.000   0.000   0.000   0.000
 
 BZINTS: Fermi energy:    5.761232;    8.000000 electrons
         Band energy: 0.545728E+01;  BLOECHL correction:    0.000000

 total amount of memory used by VASP MPI-rank0    50776. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:        595. kBytes
   fftplans  :       1071. kBytes
   grid      :       5680. kBytes
   one-center:         12. kBytes
   wavefun   :      13418. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    21885.049
                            User time (sec):    20010.860
                          System time (sec):     1874.189
                         Elapsed time (sec):     3461.726
  
                   Maximum memory used (kb):      730528.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       666749
                          Major page faults:           45
                 Voluntary context switches:         8497
 
 PROFILE, used timers:     390
 =============================
 
 index                 routine                    time                            calls level
----------------------------------------------------------------------------------------------
    1    total_time                         3461.726631                                1   1
    2      crpa_reader                           0.000168                              1   2
    3      m_bcast_d                             0.005244                              5   2
    4      inisym                                0.031153                              1   2
    5        posmap                                0.000070                            2   3
    6      m_bcast_z                             0.994782                           8066   2
    7      m_sumb_d                              1.879774                           8818   2
    8      brgrid                                0.000593                              1   2
    9      stufak                                0.000561                              1   2
   10      fft3d_mpi                             0.104580                             36   2
   11        fftbas_plan_mpi                       0.092031                           36   3
   12          dfftw_execute                         0.011487                        108   4
   13          map_forward                           0.038301                         48   4
   14            map_gather                            0.002413                       38   5
   15            m_alltoallv_z                         0.033111                       38   5
   16            map_scatter                           0.001589                       38   5
   17          map_backward                          0.027964                         24   4
   18            map_gather                            0.000467                       18   5
   19            m_alltoallv_z                         0.026175                       18   5
   20            map_scatter                           0.000752                       18   5
   21      rspher_all                            0.004634                              2   2
   22      setdij_                               0.005882                              2   2
   23        m_sumb_d                              0.000557                            2   3
   24      vectorpot                             0.000009                              1   2
   25      phaser                                0.045008                             84   2
   26      rpro_isp                              0.301367                             84   2
   27        fftwav_mpi                            0.190348                          504   3
   28          fftwav                                0.184469                        504   4
   29            fft3d                                 0.156013                      504   5
   30        rpromu                                0.102492                          168   3
   31          crrexp_mul_wave                       0.040480                       4032   4
   32      orthch                                0.650910                              1   2
   33        overl                                 0.004434                          168   3
   34        redis_proj                            0.179529                          504   3
   35          m_alltoall_d                          0.163948                       1512   4
   36        redis_pw                              0.263445                          336   3
   37          m_alltoall_d                          0.247123                       1008   4
   38        orth1                                 0.025587                          168   3
   39        m_sumb_d                              0.091074                          168   3
   40        choleski                              0.035064                          168   3
   41        lincom                                0.033417                          168   3
   42      redis_pw_over_bands                   0.000004                              1   2
   43      set_charge                            0.135809                              1   2
   44        soft_charge                           0.077064                            1   3
   45          fftwav_mpi                            0.054826                        168   4
   46            fftwav                                0.053013                      168   5
   47              fft3d                                 0.044875                    168   6
   48          pw_charge                             0.005165                        168   4
   49          m_sumb_d                              0.006095                          2   4
   50          fft_gq                                0.005591                          1   4
   51            fft3d_mpi                             0.005419                        2   5
   52              fftbas_plan_mpi                       0.004322                      2   6
   53                dfftw_execute                         0.000622                    6   7
   54                map_backward                          0.003235                    4   7
   55                  map_gather                            0.000188                  4   8
   56                  m_alltoallv_z                         0.002830                  4   8
   57                  map_scatter                           0.000100                  4   8
   58        m_sumb_d                              0.005707                            2   3
   59        depsum                                0.002024                            1   3
   60          m_sumb_d                              0.000139                          1   4
   61        augmentation_charge                   0.009030                            1   3
   62          fft3d_mpi                             0.004161                          2   4
   63            fftbas_plan_mpi                       0.004013                        2   5
   64              dfftw_execute                         0.000311                      6   6
   65              map_backward                          0.003207                      4   6
   66                map_gather                            0.000063                    2   7
   67                m_alltoallv_z                         0.002875                    2   7
   68                map_scatter                           0.000155                    2   7
   69      fewald                                0.023806                              1   2
   70        rsp                                   0.002628                            1   3
   71        rcp                                   0.000070                            1   3
   72        m_sumb_d                              0.000223                            5   3
   73      elmin                              3407.188736                              1   2
   74        potlok                                0.632304                            5   3
   75          fft3d_mpi                             0.356225                        130   4
   76            fftbas_plan_mpi                       0.341072                      130   5
   77              dfftw_execute                         0.019310                    390   6
   78              map_forward                           0.153508                    140   6
   79                map_gather                            0.003246                   80   7
   80                m_alltoallv_z                         0.143372                   80   7
   81                map_scatter                           0.004116                   80   7
   82              map_backward                          0.136083                    120   6
   83                map_gather                            0.001674                   60   7
   84                m_alltoallv_z                         0.127776                   60   7
   85                map_scatter                           0.004493                   60   7
   86          m_sumb_d                              0.001730                         25   4
   87          pothar                                0.001764                          5   4
   88            m_sumb_d                              0.000582                        5   5
   89          m_bcast_d                             0.010075                         10   4
   90        potlok_metagga                        0.000023                            5   3
   91        vectorpot                             0.000022                            5   3
   92        setdij_                               0.030588                            5   3
   93          m_sumb_d                              0.020916                          5   4
   94        set_dd_magatom                        0.000021                            5   3
   95        set_dd_paw                            3.383609                            5   3
   96          set_rsgf_all                          0.000031                          5   4
   97          m_sumb_d                              3.381895                         35   4
   98        eddiag_exact                       3401.589430                            5   3
   99          redis_pw_over_bands                   0.000016                          5   4
  100          m_bcast_z                           119.505854                    1344000   4
  101          m_sumb_d                              0.137261                          5   4
  102          phaser                                0.238255                        420   4
  103          rpro_isp                             50.191255                        420   4
  104            fftwav_mpi                           32.465637                    86520   5
  105              fftwav                               31.476869                  86520   6
  106                fft3d                                26.421131                86520   7
  107            rpromu                               16.658967                    21840   5
  108              crrexp_mul_wave                       6.955045                 692160   6
  109          orthch                              776.078774                          5   4
  110            FERMAT_RAZOR                          0.011262                      795   5
  111            overl                                 0.051151                      840   5
  112            redis_proj                           23.123821                     2520   5
  113              m_alltoall_d                         21.073749                 259560   6
  114            redis_pw                            109.740667                     1680   5
  115              m_alltoall_d                        107.554416                 173040   6
  116            orth1_distri                        205.868968                     5880   5
  117              orth1_nosubindex                      8.090796                   5880   6
  118              m_sum_g                             190.632082                   5880   6
  119                m_sumb_d                            190.530676                 5880   7
  120              distri_slice                          1.865521                   5880   6
  121            choleski                            209.300413                      840   5
  122              bg_ppotrf_trtri                     209.285713                    840   6
  123            lincom_distri                       226.908627                      840   5
  124              recon_slice                           5.820679                   5880   6
  125              m_sum_g                             205.005096                   5880   6
  126                m_sumb_d                            204.907393                 5880   7
  127              lincom_slice                         15.304961                   5880   6
  128          eddiag                             2182.764403                          5   4
  129            FERMAT_RAZOR                          0.011452                      795   5
  130            overl                                 0.052707                      840   5
  131            redis_proj                           23.566909                     2520   5
  132              m_alltoall_d                         21.515498                 259560   6
  133            fftwav_mpi                           34.324920                    86520   5
  134              fftwav                               33.305942                  86520   6
  135                fft3d                                27.192026                86520   7
  136            hamilt_local                         39.955371                    86520   5
  137              vhamil                                4.793012                  86520   6
  138              kinhamil                             33.439600                  86520   6
  139                fftext_mpi                           31.762658                86520   7
  140                  fft3d_mpi                            29.506152              86520   8
  141                    fft3d                                28.250129            86520   9
  142            redis_pw                            162.571339                    12600   5
  143              m_alltoall_d                        158.972479                 259560   6
  144            orth1_distri                        209.713674                     5880   5
  145              orth1_nosubindex                      7.234734                   5880   6
  146              m_sum_g                             195.260930                   5880   6
  147                m_sumb_d                            195.156954                 5880   7
  148              distri_slice                          1.854104                   5880   6
  149            bg_change_diagonale                   0.325296                      840   5
  150            shift_bands_between_low_high          0.003335                      840   5
  151            bg_pdssyex_zheevx                  1479.444678                      840   5
  152            lincom_distri                       229.444037                      840   5
  153              recon_slice                           5.800206                   5880   6
  154              m_sum_g                             207.251016                   5880   6
  155                m_sumb_d                            207.153383                 5880   7
  156              lincom_slice                         15.614674                   5880   6
  157        m_sumb_d                              0.092363                           27   3
  158        densta                                0.480203                            5   3
  159        set_charge                            0.762893                            4   3
  160          soft_charge                           0.499496                          4   4
  161            fftwav_mpi                            0.239510                      672   5
  162              fftwav                                0.232096                    672   6
  163                fft3d                                 0.190713                  672   7
  164            pw_charge                             0.021440                      672   5
  165            m_sumb_d                              0.061216                        8   5
  166            fft_gq                                0.161325                        4   5
  167              fft3d_mpi                             0.160527                      8   6
  168                fftbas_plan_mpi                       0.155697                    8   7
  169                  dfftw_execute                         0.001746                 24   8
  170                  map_backward                          0.152333                 16   8
  171                    map_gather                            0.000374               16   9
  172                    m_alltoallv_z                         0.150977               16   9
  173                    map_scatter                           0.000493               16   9
  174          m_sumb_d                              0.027610                          8   4
  175          depsum                                0.016419                          4   4
  176            m_sumb_d                              0.009081                        4   5
  177          augmentation_charge                   0.057602                          4   4
  178            fft3d_mpi                             0.037757                        8   5
  179              fftbas_plan_mpi                       0.037164                      8   6
  180                dfftw_execute                         0.001118                   24   7
  181                map_backward                          0.033980                   16   7
  182                  map_gather                            0.000228                  8   8
  183                  m_alltoallv_z                         0.032807                  8   8
  184                  map_scatter                           0.000644                  8   8
  185        brmix                                 0.013967                            4   3
  186          m_sumb_d                              0.001274                         24   4
  187          brpre                                 0.000303                          8   4
  188          setg0                                 0.004425                          6   4
  189          broyd                                 0.003787                          4   4
  190            m_sumb_d                              0.001349                       28   5
  191            brsav                                 0.000471                       26   5
  192            brget                                 0.000349                       60   5
  193      rotate_active_occupied_orbital        0.000012                              1   2
  194      sphpro_fast                           1.265025                              2   2
  195        m_sumb_d                              0.014583                            5   3
  196      force_and_stress                      5.341902                              1   2
  197        set_charge                            0.169813                            1   3
  198          soft_charge                           0.105597                          1   4
  199            fftwav_mpi                            0.059479                      168   5
  200              fftwav                                0.057634                    168   6
  201                fft3d                                 0.047201                  168   7
  202            pw_charge                             0.005258                      168   5
  203            m_sumb_d                              0.006461                        2   5
  204            fft_gq                                0.030519                        1   5
  205              fft3d_mpi                             0.030365                      2   6
  206                fftbas_plan_mpi                       0.029217                    2   7
  207                  dfftw_execute                         0.000420                  6   8
  208                  map_backward                          0.028401                  4   8
  209                    map_gather                            0.000092                4   9
  210                    m_alltoallv_z                         0.028064                4   9
  211                    map_scatter                           0.000121                4   9
  212          m_sumb_d                              0.007146                          2   4
  213          depsum                                0.002398                          1   4
  214            m_sumb_d                              0.000557                        1   5
  215          augmentation_charge                   0.015155                          1   4
  216            fft3d_mpi                             0.011110                        2   5
  217              fftbas_plan_mpi                       0.010962                      2   6
  218                dfftw_execute                         0.000271                    6   7
  219                map_backward                          0.010198                    4   7
  220                  map_gather                            0.000054                  2   8
  221                  m_alltoallv_z                         0.009908                  2   8
  222                  map_scatter                           0.000155                  2   8
  223        forloc                                0.000988                            1   3
  224          m_sumb_d                              0.000707                          1   4
  225        fornlr                                1.075825                            1   3
  226          rspher_all                            0.004276                          3   4
  227          phaser                                0.133523                        252   4
  228          rpro_isp                              0.915427                        252   4
  229            fftwav_mpi                            0.583535                     1512   5
  230              fftwav                                0.566035                   1512   6
  231                fft3d                                 0.475185                 1512   7
  232            rpromu                                0.305907                      504   5
  233              crrexp_mul_wave                       0.122210                  12096   6
  234          m_sumb_d                              0.005292                          1   4
  235        fordep                                0.017863                            1   3
  236          setdij_                               0.017716                          6   4
  237            m_sumb_d                              0.006411                        6   5
  238        setdij_                               0.047782                           20   3
  239          m_sumb_d                              0.010601                         20   4
  240        set_dd_magatom                        0.000003                            1   3
  241        set_dd_paw                            0.673517                            1   3
  242          set_rsgf_all                          0.000004                          1   4
  243          m_sumb_d                              0.673361                          7   4
  244        strkin                                0.004609                            1   3
  245          m_sumb_d                              0.000095                          1   4
  246        strelo                                0.003540                            1   3
  247          m_sumb_d                              0.000138                          2   4
  248        strnlr                                3.221154                            1   3
  249          rspher_all                            0.018438                          9   4
  250          phaser                                0.401418                        756   4
  251          rpro_isp                              2.747900                        756   4
  252            fftwav_mpi                            1.748602                     4536   5
  253              fftwav                                1.695644                   4536   6
  254                fft3d                                 1.424287                 4536   7
  255            rpromu                                0.921789                     1512   5
  256              crrexp_mul_wave                       0.367200                  36288   6
  257          m_sumb_d                              0.000714                          1   4
  258        fft3d_mpi                             0.056396                           22   3
  259          fftbas_plan_mpi                       0.054692                         22   4
  260            dfftw_execute                         0.002908                       66   5
  261            map_forward                           0.022624                       20   5
  262              map_gather                            0.000262                     10   6
  263              m_alltoallv_z                         0.021450                     10   6
  264              map_scatter                           0.000555                     10   6
  265            map_backward                          0.024061                       24   5
  266              map_gather                            0.000310                     12   6
  267              m_alltoallv_z                         0.022477                     12   6
  268              map_scatter                           0.000856                     12   6
  269        m_sumb_d                              0.000271                            5   3
  270        forhar                                0.000592                            2   3
  271          m_sumb_d                              0.000133                          2   4
  272        strehar                               0.000953                            1   3
  273          m_sumb_d                              0.000116                          1   4
  274        chggra                                0.011948                            1   3
  275          fft3d_mpi                             0.010571                          3   4
  276            fftbas_plan_mpi                       0.010339                        3   5
  277              dfftw_execute                         0.000412                      9   6
  278              map_backward                          0.000612                      2   6
  279                map_gather                            0.000025                    1   7
  280                m_alltoallv_z                         0.000482                    1   7
  281                map_scatter                           0.000070                    1   7
  282              map_forward                           0.008557                      4   6
  283                map_gather                            0.000063                    2   7
  284                m_alltoallv_z                         0.008315                    2   7
  285                map_scatter                           0.000109                    2   7
  286          m_sumb_d                              0.000069                          2   4
  287          pothar                                0.000312                          1   4
  288            m_sumb_d                              0.000092                        1   5
  289        brmix                                 0.002976                            1   3
  290          m_sumb_d                              0.000223                          6   4
  291          brpre                                 0.000049                          2   4
  292          setg0                                 0.000900                          1   4
  293          broyd                                 0.001239                          1   4
  294            m_sumb_d                              0.000382                       11   5
  295            brget                                 0.000153                       29   5
  296            brsav                                 0.000170                        9   5
  297        m_bcast_d                             0.000108                            2   3
  298      potlok                                0.126215                              2   2
  299        fft3d_mpi                             0.071540                           36   3
  300          fftbas_plan_mpi                       0.066689                         36   4
  301            dfftw_execute                         0.005188                      108   5
  302            map_forward                           0.033394                       40   5
  303              map_gather                            0.001090                     24   6
  304              m_alltoallv_z                         0.030298                     24   6
  305              map_scatter                           0.001158                     24   6
  306            map_backward                          0.019325                       32   5
  307              map_gather                            0.000416                     16   6
  308              m_alltoallv_z                         0.017187                     16   6
  309              map_scatter                           0.001159                     16   6
  310        m_sumb_d                              0.000284                            5   3
  311        pothar                                0.000666                            2   3
  312          m_sumb_d                              0.000195                          2   4
  313        m_bcast_d                             0.002017                            4   3
  314      potlok_metagga                        0.000004                              1   2
  315      set_dd_magatom                        0.000004                              1   2
  316      set_dd_paw                            0.675924                              1   2
  317        set_rsgf_all                          0.000004                            1   3
  318        m_sumb_d                              0.675763                            7   3
  319      lr_optic                             12.105055                              1   2
  320        rspher_all                            0.001113                            1   3
  321        potlok                                0.019726                            1   3
  322          fft3d_mpi                             0.017563                         10   4
  323            fftbas_plan_mpi                       0.015803                       10   5
  324              dfftw_execute                         0.001528                     30   6
  325              map_forward                           0.008881                     12   6
  326                map_gather                            0.000462                    8   7
  327                m_alltoallv_z                         0.007761                    8   7
  328                map_scatter                           0.000371                    8   7
  329              map_backward                          0.003034                      8   6
  330                map_gather                            0.000106                    4   7
  331                m_alltoallv_z                         0.002497                    4   7
  332                map_scatter                           0.000288                    4   7
  333          pothar                                0.000326                          1   4
  334            m_sumb_d                              0.000087                        1   5
  335          m_bcast_d                             0.000753                          2   4
  336        setdij_                               0.002211                            1   3
  337          m_sumb_d                              0.000254                          1   4
  338        set_dd_paw                            0.063415                            1   3
  339          set_rsgf_all                          0.000005                          1   4
  340          m_sumb_d                              0.063259                          7   4
  341        lrf_rphi0                             5.919983                            3   3
  342          lrf_commutator                        2.413868                          3   4
  343            phaser                                0.269884                      504   5
  344            fftwav_mpi                            0.394030                     1008   5
  345              fftwav                                0.382028                   1008   6
  346                fft3d                                 0.329566                 1008   7
  347            hamiltmu_commutator                   1.390625                      504   5
  348              raccmu                                0.289787                   1008   6
  349                overl1                                0.035523                 2016   7
  350                racc0mu                               0.223412                 1008   7
  351                  gemm                                  0.078185               2016   8
  352                  crrexp_mul_work_add                   0.071505               4032   8
  353              rpromu                                0.228749                    504   6
  354                crrexp_mul_wave                       0.086907                 8064   7
  355              raccmu_c                              0.115746                    504   6
  356                overl1_c                              0.017170                 1008   7
  357                racc0mu                               0.083481                  504   7
  358                  gemm                                  0.021504               1008   8
  359                  crrexp_mul_work_add                   0.028466               2016   8
  360              fftext_mpi                            0.481187                   1008   6
  361                fft3d_mpi                             0.372274                 1008   7
  362                  fft3d                                 0.358188               1008   8
  363            m_sumb_d                              0.009344                        3   5
  364          m_sumb_d                              0.003495                          6   4
  365          eddiag_lr                             3.437613                          3   4
  366            overl                                 0.016241                      504   5
  367            redis_proj                            0.791715                     3528   5
  368              m_alltoall_d                          0.703831                   8064   6
  369            redis_pw                              2.098132                     3024   5
  370              m_alltoall_d                          1.981666                   7056   6
  371            m_sumb_d                              0.232655                     1008   5
  372          overl1                                0.015163                       2016   4
  373        redis_pw                              1.149711                         1512   3
  374          m_alltoall_d                          1.081681                       4032   4
  375        redis_proj                            0.388485                         1512   3
  376          m_alltoall_d                          0.345355                       4032   4
  377        m_sumb_d                              0.368109                          522   3
  378        densta                                0.393547                            1   3
  379      augmentation_charge                   0.006730                              1   2
  380        fft3d_mpi                             0.002696                            2   3
  381          fftbas_plan_mpi                       0.002547                          2   4
  382            dfftw_execute                         0.000277                        6   5
  383            map_backward                          0.001593                        4   5
  384              map_gather                            0.000054                      2   6
  385              m_alltoallv_z                         0.001313                      2   6
  386              map_scatter                           0.000151                      2   6
  387      fftwav_mpi                            0.666102                           1512   2
  388        fftwav                                0.647855                         1512   3
  389          fft3d                                 0.504273                       1512   4
  390      densta                                0.696546                              1   2
 
 Flat profile
 ============
 
             routine name                   CPU           calls
 ---------------------------------------------------------------
 bg_pdssyex_zheevx                    1479.444678         840
 m_sumb_d                              805.548050       34331
 m_alltoall_d                          313.639746      977424
 eddiag_exact                          272.673612           5
 bg_ppotrf_trtri                       209.285713         840
 m_bcast_z                             120.500636     1352066
 fft3d                                  85.393587      270648
 lincom_slice                           30.919635       11760
 total_time                             29.470091           1
 orth1_nosubindex                       15.325530       11760
 fftwav                                 11.816318      183120
 recon_slice                            11.620885       11760
 rpromu                                 10.646062       24528
 orth1_distri                           10.644476       11760
 crrexp_mul_wave                         7.571842      752640
 redis_pw                                5.985929       19152
 vhamil                                  4.793012       86520
 redis_proj                              4.248080       10584
 lr_optic                                3.798754           1
 distri_slice                            3.719625       11760
 eddiag                                  3.350685           5
 fftext_mpi                              2.365419       87528
 fftwav_mpi                              2.125403      183120
 hamilt_local                            1.722759       86520
 kinhamil                                1.676941       86520
 densta                                  1.570296           7
 lincom_distri                           1.556032        1680
 fft3d_mpi                               1.314472       87791
 sphpro_fast                             1.250442           2
 rpro_isp                                1.178670        1512
 orthch                                  1.092224           6
 phaser                                  1.088089        2016
 m_alltoallv_z                           0.669674         311
 m_sum_g                                 0.400717       23520
 lrf_commutator                          0.349985           3
 bg_change_diagonale                     0.325296         840
 potlok                                  0.315303           8
 eddiag_lr                               0.298870           3
 hamiltmu_commutator                     0.275156         504
 set_charge                              0.243268           6
 elmin                                   0.203315           1
 overl                                   0.124532        2352
 racc0mu                                 0.107233        1512
 crrexp_mul_work_add                     0.099971        6048
 gemm                                    0.099690        3024
 fftbas_plan_mpi                         0.069659         263
 setdij_                                 0.065439          34
 force_and_stress                        0.053564           1
 strnlr                                  0.052684           1
 overl1                                  0.050686        4032
 lrf_rphi0                               0.049844           3
 choleski                                0.049763        1008
 dfftw_execute                           0.045598         789
 lincom                                  0.033417         168
 augmentation_charge                     0.032793           7
 pw_charge                               0.031863        1008
 inisym                                  0.031083           1
 raccmu                                  0.030853        1008
 rspher_all                              0.028461          15
 orth1                                   0.025587         168
 soft_charge                             0.025271           6
 FERMAT_RAZOR                            0.022714        1590
 fewald                                  0.020885           1
 m_bcast_d                               0.018196          23
 map_scatter                             0.017335         311
 fornlr                                  0.017307           1
 overl1_c                                0.017170        1008
 raccmu_c                                0.015095         504
 map_gather                              0.011587         311
 depsum                                  0.011064           6
 map_forward                             0.005525         264
 setg0                                   0.005325           7
 map_backward                            0.005171         262
 brmix                                   0.004743           5
 strkin                                  0.004514           1
 strelo                                  0.003402           1
 shift_bands_between_low_high            0.003335         840
 rsp                                     0.002628           1
 broyd                                   0.002151           5
 set_dd_paw                              0.002143           8
 pothar                                  0.002111           9
 fft_gq                                  0.001124           6
 chggra                                  0.000996           1
 strehar                                 0.000837           1
 brsav                                   0.000642          35
 brgrid                                  0.000593           1
 stufak                                  0.000561           1
 brget                                   0.000502          89
 forhar                                  0.000459           2
 brpre                                   0.000352          10
 forloc                                  0.000281           1
 crpa_reader                             0.000168           1
 fordep                                  0.000147           1
 posmap                                  0.000070           2
 rcp                                     0.000070           1
 set_rsgf_all                            0.000044           8
 vectorpot                               0.000031           6
 set_dd_magatom                          0.000027           7
 potlok_metagga                          0.000027           6
 redis_pw_over_bands                     0.000020           6
 rotate_active_occupied_orbital          0.000012           1
 ---------------------------------------------------------------
  summed up times    3461.72663092613     
 
 Accumulative profile
 ====================
 
             routine name                   CPU           calls
 ---------------------------------------------------------------
 total_time                           3461.726631           1
 elmin                                3407.188736           1
 eddiag_exact                         3401.589430           5
 eddiag                               2182.764403           5
 bg_pdssyex_zheevx                    1479.444678         840
 m_sumb_d                              805.548050       34331
 m_sum_g                               798.149123       23520
 orthch                                776.729684           6
 lincom_distri                         456.352664        1680
 orth1_distri                          415.582642       11760
 m_alltoall_d                          313.639746      977424
 redis_pw                              275.823295       19152
 choleski                              209.335476        1008
 bg_ppotrf_trtri                       209.285713         840
 m_bcast_z                             120.500636     1352066
 fft3d                                  85.393587      270648
 fftwav_mpi                             70.726990      183120
 fftwav                                 68.601587      183120
 rpro_isp                               54.155948        1512
 redis_proj                             48.050460       10584
 hamilt_local                           39.955371       86520
 kinhamil                               33.439600       86520
 fftext_mpi                             32.243845       87528
 lincom_slice                           30.919635       11760
 fft3d_mpi                              30.747338       87791
 rpromu                                 18.217904       24528
 orth1_nosubindex                       15.325530       11760
 lr_optic                               12.105055           1
 recon_slice                            11.620885       11760
 crrexp_mul_wave                         7.571842      752640
 lrf_rphi0                               5.919983           3
 force_and_stress                        5.341902           1
 set_dd_paw                              4.796465           8
 vhamil                                  4.793012       86520
 distri_slice                            3.719625       11760
 eddiag_lr                               3.437613           3
 strnlr                                  3.221154           1
 lrf_commutator                          2.413868           3
 densta                                  1.570296           7
 hamiltmu_commutator                     1.390625         504
 sphpro_fast                             1.265025           2
 phaser                                  1.088089        2016
 fornlr                                  1.075825           1
 set_charge                              1.068515           6
 fftbas_plan_mpi                         0.824548         263
 potlok                                  0.778245           8
 soft_charge                             0.682157           6
 m_alltoallv_z                           0.669674         311
 map_backward                            0.444027         262
 bg_change_diagonale                     0.325296         840
 racc0mu                                 0.306893        1512
 raccmu                                  0.289787        1008
 map_forward                             0.265265         264
 fft_gq                                  0.197435           6
 overl                                   0.124532        2352
 raccmu_c                                0.115746         504
 setdij_                                 0.104178          34
 crrexp_mul_work_add                     0.099971        6048
 gemm                                    0.099690        3024
 augmentation_charge                     0.088517           7
 overl1                                  0.050686        4032
 dfftw_execute                           0.045598         789
 lincom                                  0.033417         168
 pw_charge                               0.031863        1008
 inisym                                  0.031153           1
 rspher_all                              0.028461          15
 orth1                                   0.025587         168
 fewald                                  0.023806           1
 FERMAT_RAZOR                            0.022714        1590
 depsum                                  0.020841           6
 m_bcast_d                               0.018196          23
 fordep                                  0.017863           1
 map_scatter                             0.017335         311
 overl1_c                                0.017170        1008
 brmix                                   0.016943           5
 chggra                                  0.011948           1
 map_gather                              0.011587         311
 setg0                                   0.005325           7
 broyd                                   0.005026           5
 strkin                                  0.004609           1
 strelo                                  0.003540           1
 shift_bands_between_low_high            0.003335         840
 pothar                                  0.003067           9
 rsp                                     0.002628           1
 forloc                                  0.000988           1
 strehar                                 0.000953           1
 brsav                                   0.000642          35
 brgrid                                  0.000593           1
 forhar                                  0.000592           2
 stufak                                  0.000561           1
 brget                                   0.000502          89
 brpre                                   0.000352          10
 crpa_reader                             0.000168           1
 posmap                                  0.000070           2
 rcp                                     0.000070           1
 set_rsgf_all                            0.000044           8
 vectorpot                               0.000031           6
 set_dd_magatom                          0.000027           7
 potlok_metagga                          0.000027           6
 redis_pw_over_bands                     0.000020           6
 rotate_active_occupied_orbital          0.000012           1
 ---------------------------------------------------------------
 
Profiling took   9.223462 12.821514  0.006538  0.004738 seconds
Profiling took  10.969431 seconds
