 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.03.29  11:46:44
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


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


 INCAR:
   SYSTEM = Al Lattice Relaxation  HSE06-1/2x vdW-DF2, Parralel 2D minimization
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   ISMEAR = 1
   SIGMA = 0.2
   IBRION = -1
   NSW = 0
   EDIFFG = -0.005
   ADDGRID = .TRUE.
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

 POTCAR:    PAW_PBE Al 04Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have switched on vdW-DFT.                                           |
|     This routine was written and supplied by Jiri Klimes. We recommend      |
|     that you carefully read and cite the following publications:            |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          J. Phys.: Cond Matt. 22 022201 (2010)                              |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          Phys. Rev. B. 83, 195131 (2011)                                    |
|     and references therein.                                                 |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Al 04Jan2001                  
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      7  1.900                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE Al 04Jan2001                  :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0005 (will be added to EATOM!!)
 
 
 POSCAR: Al
  positions in cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.86   2 2.86   2 2.86
   2  0.333  0.333  0.106-   3 2.74   3 2.74   3 2.74   1 2.86   1 2.86   1 2.86
   3  0.667  0.667  0.205-   2 2.74   2 2.74   2 2.74   4 3.06   4 3.06   4 3.06
   4  0.000  0.000  0.323-   3 3.06   3 3.06   3 3.06
 

IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.


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

                                     Primitive cell                                     

  volume of cell :     155.5608

  direct lattice vectors                    reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.333333333  0.333333333  0.106053564
     0.666666667  0.666666667  0.205288736
     0.000000000  0.000000000  0.322706289

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   24   24    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.014581716 -0.008418758  0.000000000     0.041666667  0.000000000  0.000000000
     0.000000000  0.016837515  0.000000000     0.000000000  0.041666667  0.000000000
     0.000000000  0.000000000  0.045455954     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.016837515  0.016837515  0.045455954

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

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    290 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.041667 -0.000000  0.000000      2.000000
  0.041667  0.041667  0.000000      2.000000
  0.000000  0.041667  0.000000      2.000000
  0.083333  0.000000  0.000000      2.000000
  0.083333  0.083333  0.000000      2.000000
  0.000000  0.083333  0.000000      2.000000
  0.125000  0.000000  0.000000      2.000000
  0.125000  0.125000  0.000000      2.000000
  0.000000  0.125000  0.000000      2.000000
  0.166667 -0.000000  0.000000      2.000000
  0.166667  0.166667  0.000000      2.000000
  0.000000  0.166667  0.000000      2.000000
  0.208333  0.000000  0.000000      2.000000
  0.208333  0.208333  0.000000      2.000000
  0.000000  0.208333  0.000000      2.000000
  0.250000  0.000000  0.000000      2.000000
  0.250000  0.250000  0.000000      2.000000
  0.000000  0.250000  0.000000      2.000000
  0.291667  0.000000  0.000000      2.000000
  0.291667  0.291667  0.000000      2.000000
  0.000000  0.291667  0.000000      2.000000
  0.333333  0.000000  0.000000      2.000000
  0.333333  0.333333  0.000000      2.000000
  0.000000  0.333333  0.000000      2.000000
  0.375000  0.000000  0.000000      2.000000
  0.375000  0.375000  0.000000      2.000000
  0.000000  0.375000  0.000000      2.000000
  0.416667  0.000000  0.000000      2.000000
  0.416667  0.416667  0.000000      2.000000
  0.000000  0.416667  0.000000      2.000000
  0.458333  0.000000  0.000000      2.000000
  0.458333  0.458333  0.000000      2.000000
  0.000000  0.458333  0.000000      2.000000
  0.500000  0.000000  0.000000      1.000000
  0.500000  0.500000  0.000000      1.000000
  0.000000  0.500000  0.000000      1.000000
  0.083333  0.041667  0.000000      2.000000
  0.041667  0.083333  0.000000      2.000000
 -0.041667  0.041667  0.000000      2.000000
  0.125000  0.041667  0.000000      2.000000
  0.083333  0.125000  0.000000      2.000000
 -0.041667  0.083333  0.000000      2.000000
  0.083333 -0.041667  0.000000      2.000000
 -0.041667 -0.125000  0.000000      2.000000
 -0.125000 -0.083333  0.000000      2.000000
  0.166667  0.041667  0.000000      2.000000
  0.125000  0.166667  0.000000      2.000000
 -0.041667  0.125000  0.000000      2.000000
  0.125000 -0.041667  0.000000      2.000000
 -0.041667 -0.166667  0.000000      2.000000
 -0.166667 -0.125000  0.000000      2.000000
  0.208333  0.041667  0.000000      2.000000
  0.166667  0.208333  0.000000      2.000000
 -0.041667  0.166667  0.000000      2.000000
  0.166667 -0.041667  0.000000      2.000000
 -0.041667 -0.208333  0.000000      2.000000
 -0.208333 -0.166667  0.000000      2.000000
  0.250000  0.041667  0.000000      2.000000
  0.208333  0.250000  0.000000      2.000000
 -0.041667  0.208333  0.000000      2.000000
  0.208333 -0.041667  0.000000      2.000000
 -0.041667 -0.250000  0.000000      2.000000
 -0.250000 -0.208333  0.000000      2.000000
  0.291667  0.041667  0.000000      2.000000
  0.250000  0.291667  0.000000      2.000000
 -0.041667  0.250000  0.000000      2.000000
  0.250000 -0.041667  0.000000      2.000000
 -0.041667 -0.291667  0.000000      2.000000
 -0.291667 -0.250000  0.000000      2.000000
  0.333333  0.041667  0.000000      2.000000
  0.291667  0.333333  0.000000      2.000000
 -0.041667  0.291667  0.000000      2.000000
  0.291667 -0.041667  0.000000      2.000000
 -0.041667 -0.333333  0.000000      2.000000
 -0.333333 -0.291667  0.000000      2.000000
  0.375000  0.041667  0.000000      2.000000
  0.333333  0.375000  0.000000      2.000000
 -0.041667  0.333333  0.000000      2.000000
  0.333333 -0.041667  0.000000      2.000000
 -0.041667 -0.375000  0.000000      2.000000
 -0.375000 -0.333333  0.000000      2.000000
  0.416667  0.041667  0.000000      2.000000
  0.375000  0.416667  0.000000      2.000000
 -0.041667  0.375000  0.000000      2.000000
  0.375000 -0.041667  0.000000      2.000000
 -0.041667 -0.416667  0.000000      2.000000
 -0.416667 -0.375000  0.000000      2.000000
  0.458333  0.041667  0.000000      2.000000
  0.416667  0.458333  0.000000      2.000000
 -0.041667  0.416667  0.000000      2.000000
  0.416667 -0.041667  0.000000      2.000000
 -0.041667 -0.458333  0.000000      2.000000
 -0.458333 -0.416667  0.000000      2.000000
  0.500000  0.041667  0.000000      2.000000
  0.458333  0.500000  0.000000      2.000000
 -0.041667  0.458333  0.000000      2.000000
  0.458333 -0.041667  0.000000      2.000000
 -0.041667  0.500000  0.000000      2.000000
  0.500000 -0.458333  0.000000      2.000000
  0.166667  0.083333  0.000000      2.000000
  0.083333  0.166667  0.000000      2.000000
 -0.083333  0.083333  0.000000      2.000000
  0.208333  0.083333  0.000000      2.000000
  0.125000  0.208333  0.000000      2.000000
 -0.083333  0.125000  0.000000      2.000000
  0.125000 -0.083333  0.000000      2.000000
 -0.083333 -0.208333  0.000000      2.000000
 -0.208333 -0.125000  0.000000      2.000000
  0.250000  0.083333  0.000000      2.000000
  0.166667  0.250000  0.000000      2.000000
 -0.083333  0.166667  0.000000      2.000000
  0.166667 -0.083333  0.000000      2.000000
 -0.083333 -0.250000  0.000000      2.000000
 -0.250000 -0.166667  0.000000      2.000000
  0.291667  0.083333  0.000000      2.000000
  0.208333  0.291667  0.000000      2.000000
 -0.083333  0.208333  0.000000      2.000000
  0.208333 -0.083333  0.000000      2.000000
 -0.083333 -0.291667  0.000000      2.000000
 -0.291667 -0.208333  0.000000      2.000000
  0.333333  0.083333  0.000000      2.000000
  0.250000  0.333333  0.000000      2.000000
 -0.083333  0.250000  0.000000      2.000000
  0.250000 -0.083333  0.000000      2.000000
 -0.083333 -0.333333  0.000000      2.000000
 -0.333333 -0.250000  0.000000      2.000000
  0.375000  0.083333  0.000000      2.000000
  0.291667  0.375000  0.000000      2.000000
 -0.083333  0.291667  0.000000      2.000000
  0.291667 -0.083333  0.000000      2.000000
 -0.083333 -0.375000  0.000000      2.000000
 -0.375000 -0.291667  0.000000      2.000000
  0.416667  0.083333  0.000000      2.000000
  0.333333  0.416667  0.000000      2.000000
 -0.083333  0.333333  0.000000      2.000000
  0.333333 -0.083333  0.000000      2.000000
 -0.083333 -0.416667  0.000000      2.000000
 -0.416667 -0.333333  0.000000      2.000000
  0.458333  0.083333  0.000000      2.000000
  0.375000  0.458333  0.000000      2.000000
 -0.083333  0.375000  0.000000      2.000000
  0.375000 -0.083333  0.000000      2.000000
 -0.083333 -0.458333  0.000000      2.000000
 -0.458333 -0.375000  0.000000      2.000000
  0.500000  0.083333  0.000000      2.000000
  0.416667  0.500000  0.000000      2.000000
 -0.083333  0.416667  0.000000      2.000000
  0.416667 -0.083333  0.000000      2.000000
 -0.083333  0.500000  0.000000      2.000000
  0.500000 -0.416667  0.000000      2.000000
 -0.458333  0.083333  0.000000      2.000000
  0.458333 -0.458333  0.000000      2.000000
 -0.083333  0.458333  0.000000      2.000000
  0.250000  0.125000  0.000000      2.000000
  0.125000  0.250000  0.000000      2.000000
 -0.125000  0.125000  0.000000      2.000000
  0.291667  0.125000  0.000000      2.000000
  0.166667  0.291667  0.000000      2.000000
 -0.125000  0.166667  0.000000      2.000000
  0.166667 -0.125000  0.000000      2.000000
 -0.125000 -0.291667  0.000000      2.000000
 -0.291667 -0.166667  0.000000      2.000000
  0.333333  0.125000  0.000000      2.000000
  0.208333  0.333333  0.000000      2.000000
 -0.125000  0.208333  0.000000      2.000000
  0.208333 -0.125000  0.000000      2.000000
 -0.125000 -0.333333  0.000000      2.000000
 -0.333333 -0.208333  0.000000      2.000000
  0.375000  0.125000  0.000000      2.000000
  0.250000  0.375000  0.000000      2.000000
 -0.125000  0.250000  0.000000      2.000000
  0.250000 -0.125000  0.000000      2.000000
 -0.125000 -0.375000  0.000000      2.000000
 -0.375000 -0.250000  0.000000      2.000000
  0.416667  0.125000  0.000000      2.000000
  0.291667  0.416667  0.000000      2.000000
 -0.125000  0.291667  0.000000      2.000000
  0.291667 -0.125000  0.000000      2.000000
 -0.125000 -0.416667  0.000000      2.000000
 -0.416667 -0.291667  0.000000      2.000000
  0.458333  0.125000  0.000000      2.000000
  0.333333  0.458333  0.000000      2.000000
 -0.125000  0.333333  0.000000      2.000000
  0.333333 -0.125000  0.000000      2.000000
 -0.125000 -0.458333  0.000000      2.000000
 -0.458333 -0.333333  0.000000      2.000000
  0.500000  0.125000  0.000000      2.000000
  0.375000  0.500000  0.000000      2.000000
 -0.125000  0.375000  0.000000      2.000000
  0.375000 -0.125000  0.000000      2.000000
 -0.125000  0.500000  0.000000      2.000000
  0.500000 -0.375000  0.000000      2.000000
 -0.458333  0.125000  0.000000      2.000000
  0.416667 -0.458333  0.000000      2.000000
 -0.125000  0.416667  0.000000      2.000000
  0.416667 -0.125000  0.000000      2.000000
 -0.125000  0.458333  0.000000      2.000000
  0.458333 -0.416667  0.000000      2.000000
  0.333333  0.166667  0.000000      2.000000
  0.166667  0.333333  0.000000      2.000000
 -0.166667  0.166667  0.000000      2.000000
  0.375000  0.166667  0.000000      2.000000
  0.208333  0.375000  0.000000      2.000000
 -0.166667  0.208333  0.000000      2.000000
  0.208333 -0.166667  0.000000      2.000000
 -0.166667 -0.375000  0.000000      2.000000
 -0.375000 -0.208333  0.000000      2.000000
  0.416667  0.166667  0.000000      2.000000
  0.250000  0.416667  0.000000      2.000000
 -0.166667  0.250000  0.000000      2.000000
  0.250000 -0.166667  0.000000      2.000000
 -0.166667 -0.416667  0.000000      2.000000
 -0.416667 -0.250000  0.000000      2.000000
  0.458333  0.166667  0.000000      2.000000
  0.291667  0.458333  0.000000      2.000000
 -0.166667  0.291667  0.000000      2.000000
  0.291667 -0.166667  0.000000      2.000000
 -0.166667 -0.458333  0.000000      2.000000
 -0.458333 -0.291667  0.000000      2.000000
  0.500000  0.166667  0.000000      2.000000
  0.333333  0.500000  0.000000      2.000000
 -0.166667  0.333333  0.000000      2.000000
  0.333333 -0.166667  0.000000      2.000000
 -0.166667  0.500000  0.000000      2.000000
  0.500000 -0.333333  0.000000      2.000000
 -0.458333  0.166667  0.000000      2.000000
  0.375000 -0.458333  0.000000      2.000000
 -0.166667  0.375000  0.000000      2.000000
  0.375000 -0.166667  0.000000      2.000000
 -0.166667  0.458333  0.000000      2.000000
  0.458333 -0.375000  0.000000      2.000000
 -0.416667  0.166667  0.000000      2.000000
  0.416667 -0.416667  0.000000      2.000000
 -0.166667  0.416667  0.000000      2.000000
  0.416667  0.208333  0.000000      2.000000
  0.208333  0.416667  0.000000      2.000000
 -0.208333  0.208333  0.000000      2.000000
  0.458333  0.208333  0.000000      2.000000
  0.250000  0.458333  0.000000      2.000000
 -0.208333  0.250000  0.000000      2.000000
  0.250000 -0.208333  0.000000      2.000000
 -0.208333 -0.458333  0.000000      2.000000
 -0.458333 -0.250000  0.000000      2.000000
  0.500000  0.208333  0.000000      2.000000
  0.291667  0.500000  0.000000      2.000000
 -0.208333  0.291667  0.000000      2.000000
  0.291667 -0.208333  0.000000      2.000000
 -0.208333  0.500000  0.000000      2.000000
  0.500000 -0.291667  0.000000      2.000000
 -0.458333  0.208333  0.000000      2.000000
  0.333333 -0.458333  0.000000      2.000000
 -0.208333  0.333333  0.000000      2.000000
  0.333333 -0.208333  0.000000      2.000000
 -0.208333  0.458333  0.000000      2.000000
  0.458333 -0.333333  0.000000      2.000000
 -0.416667  0.208333  0.000000      2.000000
  0.375000 -0.416667  0.000000      2.000000
 -0.208333  0.375000  0.000000      2.000000
  0.375000 -0.208333  0.000000      2.000000
 -0.208333  0.416667  0.000000      2.000000
  0.416667 -0.375000  0.000000      2.000000
  0.500000  0.250000  0.000000      2.000000
  0.250000  0.500000  0.000000      2.000000
 -0.250000  0.250000  0.000000      2.000000
 -0.458333  0.250000  0.000000      2.000000
  0.291667 -0.458333  0.000000      2.000000
 -0.250000  0.291667  0.000000      2.000000
  0.291667 -0.250000  0.000000      2.000000
 -0.250000  0.458333  0.000000      2.000000
  0.458333 -0.291667  0.000000      2.000000
 -0.416667  0.250000  0.000000      2.000000
  0.333333 -0.416667  0.000000      2.000000
 -0.250000  0.333333  0.000000      2.000000
  0.333333 -0.250000  0.000000      2.000000
 -0.250000  0.416667  0.000000      2.000000
  0.416667 -0.333333  0.000000      2.000000
 -0.375000  0.250000  0.000000      2.000000
  0.375000 -0.375000  0.000000      2.000000
 -0.250000  0.375000  0.000000      2.000000
 -0.416667  0.291667  0.000000      2.000000
  0.291667 -0.416667  0.000000      2.000000
 -0.291667  0.291667  0.000000      2.000000
 -0.375000  0.291667  0.000000      2.000000
  0.333333 -0.375000  0.000000      2.000000
 -0.291667  0.333333  0.000000      2.000000
  0.333333 -0.291667  0.000000      2.000000
 -0.291667  0.375000  0.000000      2.000000
  0.375000 -0.333333  0.000000      2.000000
 -0.333333  0.333333  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.014582 -0.008419  0.000000      2.000000
  0.014582  0.008419  0.000000      2.000000
  0.000000  0.016838  0.000000      2.000000
  0.029163 -0.016838  0.000000      2.000000
  0.029163  0.016838  0.000000      2.000000
  0.000000  0.033675  0.000000      2.000000
  0.043745 -0.025256  0.000000      2.000000
  0.043745  0.025256  0.000000      2.000000
  0.000000  0.050513  0.000000      2.000000
  0.058327 -0.033675  0.000000      2.000000
  0.058327  0.033675  0.000000      2.000000
  0.000000  0.067350  0.000000      2.000000
  0.072909 -0.042094  0.000000      2.000000
  0.072909  0.042094  0.000000      2.000000
  0.000000  0.084188  0.000000      2.000000
  0.087490 -0.050513  0.000000      2.000000
  0.087490  0.050513  0.000000      2.000000
  0.000000  0.101025  0.000000      2.000000
  0.102072 -0.058931  0.000000      2.000000
  0.102072  0.058931  0.000000      2.000000
  0.000000  0.117863  0.000000      2.000000
  0.116654 -0.067350  0.000000      2.000000
  0.116654  0.067350  0.000000      2.000000
  0.000000  0.134700  0.000000      2.000000
  0.131235 -0.075769  0.000000      2.000000
  0.131235  0.075769  0.000000      2.000000
  0.000000  0.151538  0.000000      2.000000
  0.145817 -0.084188  0.000000      2.000000
  0.145817  0.084188  0.000000      2.000000
  0.000000  0.168375  0.000000      2.000000
  0.160399 -0.092606  0.000000      2.000000
  0.160399  0.092606  0.000000      2.000000
  0.000000  0.185213  0.000000      2.000000
  0.174981 -0.101025  0.000000      1.000000
  0.174981  0.101025  0.000000      1.000000
  0.000000  0.202050  0.000000      1.000000
  0.029163 -0.000000  0.000000      2.000000
  0.014582  0.025256  0.000000      2.000000
 -0.014582  0.025256  0.000000      2.000000
  0.043745 -0.008419  0.000000      2.000000
  0.029163  0.033675  0.000000      2.000000
 -0.014582  0.042094  0.000000      2.000000
  0.029163 -0.033675  0.000000      2.000000
 -0.014582 -0.042094  0.000000      2.000000
 -0.043745 -0.008419  0.000000      2.000000
  0.058327 -0.016838  0.000000      2.000000
  0.043745  0.042094  0.000000      2.000000
 -0.014582  0.058931  0.000000      2.000000
  0.043745 -0.042094  0.000000      2.000000
 -0.014582 -0.058931  0.000000      2.000000
 -0.058327 -0.016838  0.000000      2.000000
  0.072909 -0.025256  0.000000      2.000000
  0.058327  0.050513  0.000000      2.000000
 -0.014582  0.075769  0.000000      2.000000
  0.058327 -0.050513  0.000000      2.000000
 -0.014582 -0.075769  0.000000      2.000000
 -0.072909 -0.025256  0.000000      2.000000
  0.087490 -0.033675  0.000000      2.000000
  0.072909  0.058931  0.000000      2.000000
 -0.014582  0.092606  0.000000      2.000000
  0.072909 -0.058931  0.000000      2.000000
 -0.014582 -0.092606  0.000000      2.000000
 -0.087490 -0.033675  0.000000      2.000000
  0.102072 -0.042094  0.000000      2.000000
  0.087490  0.067350  0.000000      2.000000
 -0.014582  0.109444  0.000000      2.000000
  0.087490 -0.067350  0.000000      2.000000
 -0.014582 -0.109444  0.000000      2.000000
 -0.102072 -0.042094  0.000000      2.000000
  0.116654 -0.050513  0.000000      2.000000
  0.102072  0.075769  0.000000      2.000000
 -0.014582  0.126281  0.000000      2.000000
  0.102072 -0.075769  0.000000      2.000000
 -0.014582 -0.126281  0.000000      2.000000
 -0.116654 -0.050513  0.000000      2.000000
  0.131235 -0.058931  0.000000      2.000000
  0.116654  0.084188  0.000000      2.000000
 -0.014582  0.143119  0.000000      2.000000
  0.116654 -0.084188  0.000000      2.000000
 -0.014582 -0.143119  0.000000      2.000000
 -0.131235 -0.058931  0.000000      2.000000
  0.145817 -0.067350  0.000000      2.000000
  0.131235  0.092606  0.000000      2.000000
 -0.014582  0.159956  0.000000      2.000000
  0.131235 -0.092606  0.000000      2.000000
 -0.014582 -0.159956  0.000000      2.000000
 -0.145817 -0.067350  0.000000      2.000000
  0.160399 -0.075769  0.000000      2.000000
  0.145817  0.101025  0.000000      2.000000
 -0.014582  0.176794  0.000000      2.000000
  0.145817 -0.101025  0.000000      2.000000
 -0.014582 -0.176794  0.000000      2.000000
 -0.160399 -0.075769  0.000000      2.000000
  0.174981 -0.084188  0.000000      2.000000
  0.160399  0.109444  0.000000      2.000000
 -0.014582  0.193631  0.000000      2.000000
  0.160399 -0.109444  0.000000      2.000000
 -0.014582  0.210469  0.000000      2.000000
  0.174981 -0.286238  0.000000      2.000000
  0.058327  0.000000  0.000000      2.000000
  0.029163  0.050513  0.000000      2.000000
 -0.029163  0.050513  0.000000      2.000000
  0.072909 -0.008419  0.000000      2.000000
  0.043745  0.058931  0.000000      2.000000
 -0.029163  0.067350  0.000000      2.000000
  0.043745 -0.058931  0.000000      2.000000
 -0.029163 -0.067350  0.000000      2.000000
 -0.072909 -0.008419  0.000000      2.000000
  0.087490 -0.016838  0.000000      2.000000
  0.058327  0.067350  0.000000      2.000000
 -0.029163  0.084188  0.000000      2.000000
  0.058327 -0.067350  0.000000      2.000000
 -0.029163 -0.084188  0.000000      2.000000
 -0.087490 -0.016838  0.000000      2.000000
  0.102072 -0.025256  0.000000      2.000000
  0.072909  0.075769  0.000000      2.000000
 -0.029163  0.101025  0.000000      2.000000
  0.072909 -0.075769  0.000000      2.000000
 -0.029163 -0.101025  0.000000      2.000000
 -0.102072 -0.025256  0.000000      2.000000
  0.116654 -0.033675  0.000000      2.000000
  0.087490  0.084188  0.000000      2.000000
 -0.029163  0.117863  0.000000      2.000000
  0.087490 -0.084188  0.000000      2.000000
 -0.029163 -0.117863  0.000000      2.000000
 -0.116654 -0.033675  0.000000      2.000000
  0.131235 -0.042094  0.000000      2.000000
  0.102072  0.092606  0.000000      2.000000
 -0.029163  0.134700  0.000000      2.000000
  0.102072 -0.092606  0.000000      2.000000
 -0.029163 -0.134700  0.000000      2.000000
 -0.131235 -0.042094  0.000000      2.000000
  0.145817 -0.050513  0.000000      2.000000
  0.116654  0.101025  0.000000      2.000000
 -0.029163  0.151538  0.000000      2.000000
  0.116654 -0.101025  0.000000      2.000000
 -0.029163 -0.151538  0.000000      2.000000
 -0.145817 -0.050513  0.000000      2.000000
  0.160399 -0.058931  0.000000      2.000000
  0.131235  0.109444  0.000000      2.000000
 -0.029163  0.168375  0.000000      2.000000
  0.131235 -0.109444  0.000000      2.000000
 -0.029163 -0.168375  0.000000      2.000000
 -0.160399 -0.058931  0.000000      2.000000
  0.174981 -0.067350  0.000000      2.000000
  0.145817  0.117863  0.000000      2.000000
 -0.029163  0.185213  0.000000      2.000000
  0.145817 -0.117863  0.000000      2.000000
 -0.029163  0.218888  0.000000      2.000000
  0.174981 -0.269400  0.000000      2.000000
 -0.160399  0.126281  0.000000      2.000000
  0.160399 -0.277819  0.000000      2.000000
 -0.029163  0.202050  0.000000      2.000000
  0.087490  0.000000  0.000000      2.000000
  0.043745  0.075769  0.000000      2.000000
 -0.043745  0.075769  0.000000      2.000000
  0.102072 -0.008419  0.000000      2.000000
  0.058327  0.084188  0.000000      2.000000
 -0.043745  0.092606  0.000000      2.000000
  0.058327 -0.084188  0.000000      2.000000
 -0.043745 -0.092606  0.000000      2.000000
 -0.102072 -0.008419  0.000000      2.000000
  0.116654 -0.016838  0.000000      2.000000
  0.072909  0.092606  0.000000      2.000000
 -0.043745  0.109444  0.000000      2.000000
  0.072909 -0.092606  0.000000      2.000000
 -0.043745 -0.109444  0.000000      2.000000
 -0.116654 -0.016838  0.000000      2.000000
  0.131235 -0.025256  0.000000      2.000000
  0.087490  0.101025  0.000000      2.000000
 -0.043745  0.126281  0.000000      2.000000
  0.087490 -0.101025  0.000000      2.000000
 -0.043745 -0.126281  0.000000      2.000000
 -0.131235 -0.025256  0.000000      2.000000
  0.145817 -0.033675  0.000000      2.000000
  0.102072  0.109444  0.000000      2.000000
 -0.043745  0.143119  0.000000      2.000000
  0.102072 -0.109444  0.000000      2.000000
 -0.043745 -0.143119  0.000000      2.000000
 -0.145817 -0.033675  0.000000      2.000000
  0.160399 -0.042094  0.000000      2.000000
  0.116654  0.117863  0.000000      2.000000
 -0.043745  0.159956  0.000000      2.000000
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 -0.043745 -0.159956  0.000000      2.000000
 -0.160399 -0.042094  0.000000      2.000000
  0.174981 -0.050513  0.000000      2.000000
  0.131235  0.126281  0.000000      2.000000
 -0.043745  0.176794  0.000000      2.000000
  0.131235 -0.126281  0.000000      2.000000
 -0.043745  0.227306  0.000000      2.000000
  0.174981 -0.252563  0.000000      2.000000
 -0.160399  0.143119  0.000000      2.000000
  0.145817 -0.269400  0.000000      2.000000
 -0.043745  0.193631  0.000000      2.000000
  0.145817 -0.134700  0.000000      2.000000
 -0.043745  0.210469  0.000000      2.000000
  0.160399 -0.260981  0.000000      2.000000
  0.116654 -0.000000  0.000000      2.000000
  0.058327  0.101025  0.000000      2.000000
 -0.058327  0.101025  0.000000      2.000000
  0.131235 -0.008419  0.000000      2.000000
  0.072909  0.109444  0.000000      2.000000
 -0.058327  0.117863  0.000000      2.000000
  0.072909 -0.109444  0.000000      2.000000
 -0.058327 -0.117863  0.000000      2.000000
 -0.131235 -0.008419  0.000000      2.000000
  0.145817 -0.016838  0.000000      2.000000
  0.087490  0.117863  0.000000      2.000000
 -0.058327  0.134700  0.000000      2.000000
  0.087490 -0.117863  0.000000      2.000000
 -0.058327 -0.134700  0.000000      2.000000
 -0.145817 -0.016838  0.000000      2.000000
  0.160399 -0.025256  0.000000      2.000000
  0.102072  0.126281  0.000000      2.000000
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 -0.058327 -0.151538  0.000000      2.000000
 -0.160399 -0.025256  0.000000      2.000000
  0.174981 -0.033675  0.000000      2.000000
  0.116654  0.134700  0.000000      2.000000
 -0.058327  0.168375  0.000000      2.000000
  0.116654 -0.134700  0.000000      2.000000
 -0.058327  0.235725  0.000000      2.000000
  0.174981 -0.235725  0.000000      2.000000
 -0.160399  0.159956  0.000000      2.000000
  0.131235 -0.260981  0.000000      2.000000
 -0.058327  0.185213  0.000000      2.000000
  0.131235 -0.143119  0.000000      2.000000
 -0.058327  0.218888  0.000000      2.000000
  0.160399 -0.244144  0.000000      2.000000
 -0.145817  0.151538  0.000000      2.000000
  0.145817 -0.252563  0.000000      2.000000
 -0.058327  0.202050  0.000000      2.000000
  0.145817  0.000000  0.000000      2.000000
  0.072909  0.126281  0.000000      2.000000
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  0.160399 -0.008419  0.000000      2.000000
  0.087490  0.134700  0.000000      2.000000
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  0.087490 -0.134700  0.000000      2.000000
 -0.072909 -0.143119  0.000000      2.000000
 -0.160399 -0.008419  0.000000      2.000000
  0.174981 -0.016838  0.000000      2.000000
  0.102072  0.143119  0.000000      2.000000
 -0.072909  0.159956  0.000000      2.000000
  0.102072 -0.143119  0.000000      2.000000
 -0.072909  0.244144  0.000000      2.000000
  0.174981 -0.218888  0.000000      2.000000
 -0.160399  0.176794  0.000000      2.000000
  0.116654 -0.252563  0.000000      2.000000
 -0.072909  0.176794  0.000000      2.000000
  0.116654 -0.151538  0.000000      2.000000
 -0.072909  0.227306  0.000000      2.000000
  0.160399 -0.227306  0.000000      2.000000
 -0.145817  0.168375  0.000000      2.000000
  0.131235 -0.244144  0.000000      2.000000
 -0.072909  0.193631  0.000000      2.000000
  0.131235 -0.159956  0.000000      2.000000
 -0.072909  0.210469  0.000000      2.000000
  0.145817 -0.235725  0.000000      2.000000
  0.174981  0.000000  0.000000      2.000000
  0.087490  0.151538  0.000000      2.000000
 -0.087490  0.151538  0.000000      2.000000
 -0.160399  0.193631  0.000000      2.000000
  0.102072 -0.244144  0.000000      2.000000
 -0.087490  0.168375  0.000000      2.000000
  0.102072 -0.159956  0.000000      2.000000
 -0.087490  0.235725  0.000000      2.000000
  0.160399 -0.210469  0.000000      2.000000
 -0.145817  0.185213  0.000000      2.000000
  0.116654 -0.235725  0.000000      2.000000
 -0.087490  0.185213  0.000000      2.000000
  0.116654 -0.168375  0.000000      2.000000
 -0.087490  0.218888  0.000000      2.000000
  0.145817 -0.218888  0.000000      2.000000
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  0.131235 -0.227306  0.000000      2.000000
 -0.087490  0.202050  0.000000      2.000000
 -0.145817  0.202050  0.000000      2.000000
  0.102072 -0.227306  0.000000      2.000000
 -0.102072  0.176794  0.000000      2.000000
 -0.131235  0.193631  0.000000      2.000000
  0.116654 -0.218888  0.000000      2.000000
 -0.102072  0.193631  0.000000      2.000000
  0.116654 -0.185213  0.000000      2.000000
 -0.102072  0.210469  0.000000      2.000000
  0.131235 -0.210469  0.000000      2.000000
 -0.116654  0.202050  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    576 k-points in 1st BZ
 the following    576 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00173611   1 t-inv F
  0.041667 -0.000000  0.000000    0.00173611   2 t-inv F
  0.041667  0.041667  0.000000    0.00173611   3 t-inv F
  0.000000  0.041667  0.000000    0.00173611   4 t-inv F
  0.083333  0.000000  0.000000    0.00173611   5 t-inv F
  0.083333  0.083333  0.000000    0.00173611   6 t-inv F
  0.000000  0.083333  0.000000    0.00173611   7 t-inv F
  0.125000  0.000000  0.000000    0.00173611   8 t-inv F
  0.125000  0.125000  0.000000    0.00173611   9 t-inv F
  0.000000  0.125000  0.000000    0.00173611  10 t-inv F
  0.166667 -0.000000  0.000000    0.00173611  11 t-inv F
  0.166667  0.166667  0.000000    0.00173611  12 t-inv F
  0.000000  0.166667  0.000000    0.00173611  13 t-inv F
  0.208333  0.000000  0.000000    0.00173611  14 t-inv F
  0.208333  0.208333  0.000000    0.00173611  15 t-inv F
  0.000000  0.208333  0.000000    0.00173611  16 t-inv F
  0.250000  0.000000  0.000000    0.00173611  17 t-inv F
  0.250000  0.250000  0.000000    0.00173611  18 t-inv F
  0.000000  0.250000  0.000000    0.00173611  19 t-inv F
  0.291667  0.000000  0.000000    0.00173611  20 t-inv F
  0.291667  0.291667  0.000000    0.00173611  21 t-inv F
  0.000000  0.291667  0.000000    0.00173611  22 t-inv F
  0.333333  0.000000  0.000000    0.00173611  23 t-inv F
  0.333333  0.333333  0.000000    0.00173611  24 t-inv F
  0.000000  0.333333  0.000000    0.00173611  25 t-inv F
  0.375000  0.000000  0.000000    0.00173611  26 t-inv F
  0.375000  0.375000  0.000000    0.00173611  27 t-inv F
  0.000000  0.375000  0.000000    0.00173611  28 t-inv F
  0.416667  0.000000  0.000000    0.00173611  29 t-inv F
  0.416667  0.416667  0.000000    0.00173611  30 t-inv F
  0.000000  0.416667  0.000000    0.00173611  31 t-inv F
  0.458333  0.000000  0.000000    0.00173611  32 t-inv F
  0.458333  0.458333  0.000000    0.00173611  33 t-inv F
  0.000000  0.458333  0.000000    0.00173611  34 t-inv F
  0.500000  0.000000  0.000000    0.00173611  35 t-inv F
  0.500000  0.500000  0.000000    0.00173611  36 t-inv F
  0.000000  0.500000  0.000000    0.00173611  37 t-inv F
  0.083333  0.041667  0.000000    0.00173611  38 t-inv F
  0.041667  0.083333  0.000000    0.00173611  39 t-inv F
 -0.041667  0.041667  0.000000    0.00173611  40 t-inv F
  0.125000  0.041667  0.000000    0.00173611  41 t-inv F
  0.083333  0.125000  0.000000    0.00173611  42 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    290   k-points in BZ     NKDIM =    576   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  57600
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 115473
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  144
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  288
   support grid    NGXF=    80 NGYF=   80 NGZF=  576
   ions per type =               4
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.88 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.76 a.u.

 SYSTEM =  Al Lattice Relaxation  HSE06-1/2x vdW-DF
 POSCAR =  Al                                      

 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  =  400.0 eV  29.40 Ry    5.42 a.u.   4.66  4.66 35.88*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = -.5E-02   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.187E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      12.0000    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 =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     53    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 =  0.21E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      38.89       262.44
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.696897  1.316944  6.607878  0.485665
  Thomas-Fermi vector in A             =   1.780074
 
 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        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    PE    GGA type
   LEXCH   =     8    internal setting for exchange type
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   FOCKCORR=     1    mode to apply convergence corrections
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=  -1    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    0.5000 exact exchange contribution
   HFSCREEN=    0.2000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.2000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.5000 LDA exchange part
   AGGAX   =    0.5000 GGA exchange part
   ALDAC   =    1.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC

 vdW DFT:
   LUSE_VDW   =     T    switch on vdW DFT
   Zab_VDW    =******    correlation parameter
   PARAM1     =0.1234
   PARAM2     =1.0000
   PARAM3     =0.0000
   -- rVV10 --
   BPARAM     = 6.3000
   CPARAM     = 0.0093

 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
   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
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 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
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            6
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.01458172 -0.00841876  0.00000000       0.003
   0.01458172  0.00841876  0.00000000       0.003
   0.00000000  0.01683752  0.00000000       0.003
   0.02916343 -0.01683752  0.00000000       0.003
   0.02916343  0.01683752  0.00000000       0.003
   0.00000000  0.03367503  0.00000000       0.003
   0.04374515 -0.02525627  0.00000000       0.003
   0.04374515  0.02525627  0.00000000       0.003
   0.00000000  0.05051255  0.00000000       0.003
   0.05832686 -0.03367503  0.00000000       0.003
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   0.00000000  0.06735006  0.00000000       0.003
   0.07290858 -0.04209379  0.00000000       0.003
   0.07290858  0.04209379  0.00000000       0.003
   0.00000000  0.08418758  0.00000000       0.003
   0.08749030 -0.05051255  0.00000000       0.003
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   0.00000000  0.10102509  0.00000000       0.003
   0.10207201 -0.05893130  0.00000000       0.003
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   0.00000000  0.11786261  0.00000000       0.003
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   0.00000000  0.13470012  0.00000000       0.003
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   0.02916343  0.03367503  0.00000000       0.003
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   0.11665373 -0.25256273  0.00000000       0.003
  -0.07290858  0.17679391  0.00000000       0.003
   0.11665373 -0.15153764  0.00000000       0.003
  -0.07290858  0.22730646  0.00000000       0.003
   0.16039888 -0.22730646  0.00000000       0.003
  -0.14581716  0.16837515  0.00000000       0.003
   0.13123544 -0.24414397  0.00000000       0.003
  -0.07290858  0.19363143  0.00000000       0.003
   0.13123544 -0.15995639  0.00000000       0.003
  -0.07290858  0.21046894  0.00000000       0.003
   0.14581716 -0.23572521  0.00000000       0.003
   0.17498059  0.00000000  0.00000000       0.003
   0.08749030  0.15153764  0.00000000       0.003
  -0.08749030  0.15153764  0.00000000       0.003
  -0.16039888  0.19363143  0.00000000       0.003
   0.10207201 -0.24414397  0.00000000       0.003
  -0.08749030  0.16837515  0.00000000       0.003
   0.10207201 -0.15995639  0.00000000       0.003
  -0.08749030  0.23572521  0.00000000       0.003
   0.16039888 -0.21046894  0.00000000       0.003
  -0.14581716  0.18521267  0.00000000       0.003
   0.11665373 -0.23572521  0.00000000       0.003
  -0.08749030  0.18521267  0.00000000       0.003
   0.11665373 -0.16837515  0.00000000       0.003
  -0.08749030  0.21888770  0.00000000       0.003
   0.14581716 -0.21888770  0.00000000       0.003
  -0.13123544  0.17679391  0.00000000       0.003
   0.13123544 -0.22730646  0.00000000       0.003
  -0.08749030  0.20205018  0.00000000       0.003
  -0.14581716  0.20205018  0.00000000       0.003
   0.10207201 -0.22730646  0.00000000       0.003
  -0.10207201  0.17679391  0.00000000       0.003
  -0.13123544  0.19363143  0.00000000       0.003
   0.11665373 -0.21888770  0.00000000       0.003
  -0.10207201  0.19363143  0.00000000       0.003
   0.11665373 -0.18521267  0.00000000       0.003
  -0.10207201  0.21046894  0.00000000       0.003
   0.13123544 -0.21046894  0.00000000       0.003
  -0.11665373  0.20205018  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.04166667 -0.00000000  0.00000000       0.003
   0.04166667  0.04166667  0.00000000       0.003
   0.00000000  0.04166667  0.00000000       0.003
   0.08333333  0.00000000  0.00000000       0.003
   0.08333333  0.08333333  0.00000000       0.003
   0.00000000  0.08333333  0.00000000       0.003
   0.12500000  0.00000000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.003
   0.00000000  0.12500000  0.00000000       0.003
   0.16666667 -0.00000000  0.00000000       0.003
   0.16666667  0.16666667  0.00000000       0.003
   0.00000000  0.16666667  0.00000000       0.003
   0.20833333  0.00000000  0.00000000       0.003
   0.20833333  0.20833333  0.00000000       0.003
   0.00000000  0.20833333  0.00000000       0.003
   0.25000000  0.00000000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.003
   0.00000000  0.25000000  0.00000000       0.003
   0.29166667  0.00000000  0.00000000       0.003
   0.29166667  0.29166667  0.00000000       0.003
   0.00000000  0.29166667  0.00000000       0.003
   0.33333333  0.00000000  0.00000000       0.003
   0.33333333  0.33333333  0.00000000       0.003
   0.00000000  0.33333333  0.00000000       0.003
   0.37500000  0.00000000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.003
   0.00000000  0.37500000  0.00000000       0.003
   0.41666667  0.00000000  0.00000000       0.003
   0.41666667  0.41666667  0.00000000       0.003
   0.00000000  0.41666667  0.00000000       0.003
   0.45833333  0.00000000  0.00000000       0.003
   0.45833333  0.45833333  0.00000000       0.003
   0.00000000  0.45833333  0.00000000       0.003
   0.50000000  0.00000000  0.00000000       0.002
   0.50000000  0.50000000  0.00000000       0.002
   0.00000000  0.50000000  0.00000000       0.002
   0.08333333  0.04166667  0.00000000       0.003
   0.04166667  0.08333333  0.00000000       0.003
  -0.04166667  0.04166667  0.00000000       0.003
   0.12500000  0.04166667  0.00000000       0.003
   0.08333333  0.12500000  0.00000000       0.003
  -0.04166667  0.08333333  0.00000000       0.003
   0.08333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.08333333  0.00000000       0.003
   0.16666667  0.04166667  0.00000000       0.003
   0.12500000  0.16666667  0.00000000       0.003
  -0.04166667  0.12500000  0.00000000       0.003
   0.12500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.12500000  0.00000000       0.003
   0.20833333  0.04166667  0.00000000       0.003
   0.16666667  0.20833333  0.00000000       0.003
  -0.04166667  0.16666667  0.00000000       0.003
   0.16666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.20833333  0.00000000       0.003
  -0.20833333 -0.16666667  0.00000000       0.003
   0.25000000  0.04166667  0.00000000       0.003
   0.20833333  0.25000000  0.00000000       0.003
  -0.04166667  0.20833333  0.00000000       0.003
   0.20833333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.25000000  0.00000000       0.003
  -0.25000000 -0.20833333  0.00000000       0.003
   0.29166667  0.04166667  0.00000000       0.003
   0.25000000  0.29166667  0.00000000       0.003
  -0.04166667  0.25000000  0.00000000       0.003
   0.25000000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.29166667  0.00000000       0.003
  -0.29166667 -0.25000000  0.00000000       0.003
   0.33333333  0.04166667  0.00000000       0.003
   0.29166667  0.33333333  0.00000000       0.003
  -0.04166667  0.29166667  0.00000000       0.003
   0.29166667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.33333333  0.00000000       0.003
  -0.33333333 -0.29166667  0.00000000       0.003
   0.37500000  0.04166667  0.00000000       0.003
   0.33333333  0.37500000  0.00000000       0.003
  -0.04166667  0.33333333  0.00000000       0.003
   0.33333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.33333333  0.00000000       0.003
   0.41666667  0.04166667  0.00000000       0.003
   0.37500000  0.41666667  0.00000000       0.003
  -0.04166667  0.37500000  0.00000000       0.003
   0.37500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.37500000  0.00000000       0.003
   0.45833333  0.04166667  0.00000000       0.003
   0.41666667  0.45833333  0.00000000       0.003
  -0.04166667  0.41666667  0.00000000       0.003
   0.41666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.41666667  0.00000000       0.003
   0.50000000  0.04166667  0.00000000       0.003
   0.45833333  0.50000000  0.00000000       0.003
  -0.04166667  0.45833333  0.00000000       0.003
   0.45833333 -0.04166667  0.00000000       0.003
  -0.04166667  0.50000000  0.00000000       0.003
   0.50000000 -0.45833333  0.00000000       0.003
   0.16666667  0.08333333  0.00000000       0.003
   0.08333333  0.16666667  0.00000000       0.003
  -0.08333333  0.08333333  0.00000000       0.003
   0.20833333  0.08333333  0.00000000       0.003
   0.12500000  0.20833333  0.00000000       0.003
  -0.08333333  0.12500000  0.00000000       0.003
   0.12500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.20833333  0.00000000       0.003
  -0.20833333 -0.12500000  0.00000000       0.003
   0.25000000  0.08333333  0.00000000       0.003
   0.16666667  0.25000000  0.00000000       0.003
  -0.08333333  0.16666667  0.00000000       0.003
   0.16666667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.25000000  0.00000000       0.003
  -0.25000000 -0.16666667  0.00000000       0.003
   0.29166667  0.08333333  0.00000000       0.003
   0.20833333  0.29166667  0.00000000       0.003
  -0.08333333  0.20833333  0.00000000       0.003
   0.20833333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.29166667  0.00000000       0.003
  -0.29166667 -0.20833333  0.00000000       0.003
   0.33333333  0.08333333  0.00000000       0.003
   0.25000000  0.33333333  0.00000000       0.003
  -0.08333333  0.25000000  0.00000000       0.003
   0.25000000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.33333333  0.00000000       0.003
  -0.33333333 -0.25000000  0.00000000       0.003
   0.37500000  0.08333333  0.00000000       0.003
   0.29166667  0.37500000  0.00000000       0.003
  -0.08333333  0.29166667  0.00000000       0.003
   0.29166667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.37500000  0.00000000       0.003
  -0.37500000 -0.29166667  0.00000000       0.003
   0.41666667  0.08333333  0.00000000       0.003
   0.33333333  0.41666667  0.00000000       0.003
  -0.08333333  0.33333333  0.00000000       0.003
   0.33333333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.41666667  0.00000000       0.003
  -0.41666667 -0.33333333  0.00000000       0.003
   0.45833333  0.08333333  0.00000000       0.003
   0.37500000  0.45833333  0.00000000       0.003
  -0.08333333  0.37500000  0.00000000       0.003
   0.37500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.37500000  0.00000000       0.003
   0.50000000  0.08333333  0.00000000       0.003
   0.41666667  0.50000000  0.00000000       0.003
  -0.08333333  0.41666667  0.00000000       0.003
   0.41666667 -0.08333333  0.00000000       0.003
  -0.08333333  0.50000000  0.00000000       0.003
   0.50000000 -0.41666667  0.00000000       0.003
  -0.45833333  0.08333333  0.00000000       0.003
   0.45833333 -0.45833333  0.00000000       0.003
  -0.08333333  0.45833333  0.00000000       0.003
   0.25000000  0.12500000  0.00000000       0.003
   0.12500000  0.25000000  0.00000000       0.003
  -0.12500000  0.12500000  0.00000000       0.003
   0.29166667  0.12500000  0.00000000       0.003
   0.16666667  0.29166667  0.00000000       0.003
  -0.12500000  0.16666667  0.00000000       0.003
   0.16666667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.29166667  0.00000000       0.003
  -0.29166667 -0.16666667  0.00000000       0.003
   0.33333333  0.12500000  0.00000000       0.003
   0.20833333  0.33333333  0.00000000       0.003
  -0.12500000  0.20833333  0.00000000       0.003
   0.20833333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.33333333  0.00000000       0.003
  -0.33333333 -0.20833333  0.00000000       0.003
   0.37500000  0.12500000  0.00000000       0.003
   0.25000000  0.37500000  0.00000000       0.003
  -0.12500000  0.25000000  0.00000000       0.003
   0.25000000 -0.12500000  0.00000000       0.003
  -0.12500000 -0.37500000  0.00000000       0.003
  -0.37500000 -0.25000000  0.00000000       0.003
   0.41666667  0.12500000  0.00000000       0.003
   0.29166667  0.41666667  0.00000000       0.003
  -0.12500000  0.29166667  0.00000000       0.003
   0.29166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.41666667  0.00000000       0.003
  -0.41666667 -0.29166667  0.00000000       0.003
   0.45833333  0.12500000  0.00000000       0.003
   0.33333333  0.45833333  0.00000000       0.003
  -0.12500000  0.33333333  0.00000000       0.003
   0.33333333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.45833333  0.00000000       0.003
  -0.45833333 -0.33333333  0.00000000       0.003
   0.50000000  0.12500000  0.00000000       0.003
   0.37500000  0.50000000  0.00000000       0.003
  -0.12500000  0.37500000  0.00000000       0.003
   0.37500000 -0.12500000  0.00000000       0.003
  -0.12500000  0.50000000  0.00000000       0.003
   0.50000000 -0.37500000  0.00000000       0.003
  -0.45833333  0.12500000  0.00000000       0.003
   0.41666667 -0.45833333  0.00000000       0.003
  -0.12500000  0.41666667  0.00000000       0.003
   0.41666667 -0.12500000  0.00000000       0.003
  -0.12500000  0.45833333  0.00000000       0.003
   0.45833333 -0.41666667  0.00000000       0.003
   0.33333333  0.16666667  0.00000000       0.003
   0.16666667  0.33333333  0.00000000       0.003
  -0.16666667  0.16666667  0.00000000       0.003
   0.37500000  0.16666667  0.00000000       0.003
   0.20833333  0.37500000  0.00000000       0.003
  -0.16666667  0.20833333  0.00000000       0.003
   0.20833333 -0.16666667  0.00000000       0.003
  -0.16666667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.20833333  0.00000000       0.003
   0.41666667  0.16666667  0.00000000       0.003
   0.25000000  0.41666667  0.00000000       0.003
  -0.16666667  0.25000000  0.00000000       0.003
   0.25000000 -0.16666667  0.00000000       0.003
  -0.16666667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.25000000  0.00000000       0.003
   0.45833333  0.16666667  0.00000000       0.003
   0.29166667  0.45833333  0.00000000       0.003
  -0.16666667  0.29166667  0.00000000       0.003
   0.29166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.29166667  0.00000000       0.003
   0.50000000  0.16666667  0.00000000       0.003
   0.33333333  0.50000000  0.00000000       0.003
  -0.16666667  0.33333333  0.00000000       0.003
   0.33333333 -0.16666667  0.00000000       0.003
  -0.16666667  0.50000000  0.00000000       0.003
   0.50000000 -0.33333333  0.00000000       0.003
  -0.45833333  0.16666667  0.00000000       0.003
   0.37500000 -0.45833333  0.00000000       0.003
  -0.16666667  0.37500000  0.00000000       0.003
   0.37500000 -0.16666667  0.00000000       0.003
  -0.16666667  0.45833333  0.00000000       0.003
   0.45833333 -0.37500000  0.00000000       0.003
  -0.41666667  0.16666667  0.00000000       0.003
   0.41666667 -0.41666667  0.00000000       0.003
  -0.16666667  0.41666667  0.00000000       0.003
   0.41666667  0.20833333  0.00000000       0.003
   0.20833333  0.41666667  0.00000000       0.003
  -0.20833333  0.20833333  0.00000000       0.003
   0.45833333  0.20833333  0.00000000       0.003
   0.25000000  0.45833333  0.00000000       0.003
  -0.20833333  0.25000000  0.00000000       0.003
   0.25000000 -0.20833333  0.00000000       0.003
  -0.20833333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.25000000  0.00000000       0.003
   0.50000000  0.20833333  0.00000000       0.003
   0.29166667  0.50000000  0.00000000       0.003
  -0.20833333  0.29166667  0.00000000       0.003
   0.29166667 -0.20833333  0.00000000       0.003
  -0.20833333  0.50000000  0.00000000       0.003
   0.50000000 -0.29166667  0.00000000       0.003
  -0.45833333  0.20833333  0.00000000       0.003
   0.33333333 -0.45833333  0.00000000       0.003
  -0.20833333  0.33333333  0.00000000       0.003
   0.33333333 -0.20833333  0.00000000       0.003
  -0.20833333  0.45833333  0.00000000       0.003
   0.45833333 -0.33333333  0.00000000       0.003
  -0.41666667  0.20833333  0.00000000       0.003
   0.37500000 -0.41666667  0.00000000       0.003
  -0.20833333  0.37500000  0.00000000       0.003
   0.37500000 -0.20833333  0.00000000       0.003
  -0.20833333  0.41666667  0.00000000       0.003
   0.41666667 -0.37500000  0.00000000       0.003
   0.50000000  0.25000000  0.00000000       0.003
   0.25000000  0.50000000  0.00000000       0.003
  -0.25000000  0.25000000  0.00000000       0.003
  -0.45833333  0.25000000  0.00000000       0.003
   0.29166667 -0.45833333  0.00000000       0.003
  -0.25000000  0.29166667  0.00000000       0.003
   0.29166667 -0.25000000  0.00000000       0.003
  -0.25000000  0.45833333  0.00000000       0.003
   0.45833333 -0.29166667  0.00000000       0.003
  -0.41666667  0.25000000  0.00000000       0.003
   0.33333333 -0.41666667  0.00000000       0.003
  -0.25000000  0.33333333  0.00000000       0.003
   0.33333333 -0.25000000  0.00000000       0.003
  -0.25000000  0.41666667  0.00000000       0.003
   0.41666667 -0.33333333  0.00000000       0.003
  -0.37500000  0.25000000  0.00000000       0.003
   0.37500000 -0.37500000  0.00000000       0.003
  -0.25000000  0.37500000  0.00000000       0.003
  -0.41666667  0.29166667  0.00000000       0.003
   0.29166667 -0.41666667  0.00000000       0.003
  -0.29166667  0.29166667  0.00000000       0.003
  -0.37500000  0.29166667  0.00000000       0.003
   0.33333333 -0.37500000  0.00000000       0.003
  -0.29166667  0.33333333  0.00000000       0.003
   0.33333333 -0.29166667  0.00000000       0.003
  -0.29166667  0.37500000  0.00000000       0.003
   0.37500000 -0.33333333  0.00000000       0.003
  -0.33333333  0.33333333  0.00000000       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.33333333  0.33333333  0.10605356
   0.66666667  0.66666667  0.20528874
   0.00000000  0.00000000  0.32270629
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.42872988  0.82487758  2.33310613
   2.85745977  1.64975517  4.51621226
   0.00000000  0.00000000  7.09931839
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2867
 k-point   2 :   0.0417-0.0000 0.0000  plane waves:    2842
 k-point   3 :   0.0417 0.0417 0.0000  plane waves:    2842
 k-point   4 :   0.0000 0.0417 0.0000  plane waves:    2842
 k-point   5 :   0.0833 0.0000 0.0000  plane waves:    2836
 k-point   6 :   0.0833 0.0833 0.0000  plane waves:    2836
 k-point   7 :   0.0000 0.0833 0.0000  plane waves:    2836
 k-point   8 :   0.1250 0.0000 0.0000  plane waves:    2834
 k-point   9 :   0.1250 0.1250 0.0000  plane waves:    2834
 k-point  10 :   0.0000 0.1250 0.0000  plane waves:    2834
 k-point  11 :   0.1667-0.0000 0.0000  plane waves:    2840
 k-point  12 :   0.1667 0.1667 0.0000  plane waves:    2840
 k-point  13 :   0.0000 0.1667 0.0000  plane waves:    2840
 k-point  14 :   0.2083 0.0000 0.0000  plane waves:    2842
 k-point  15 :   0.2083 0.2083 0.0000  plane waves:    2842
 k-point  16 :   0.0000 0.2083 0.0000  plane waves:    2842
 k-point  17 :   0.2500 0.0000 0.0000  plane waves:    2840
 k-point  18 :   0.2500 0.2500 0.0000  plane waves:    2840
 k-point  19 :   0.0000 0.2500 0.0000  plane waves:    2840
 k-point  20 :   0.2917 0.0000 0.0000  plane waves:    2838
 k-point  21 :   0.2917 0.2917 0.0000  plane waves:    2838
 k-point  22 :   0.0000 0.2917 0.0000  plane waves:    2838
 k-point  23 :   0.3333 0.0000 0.0000  plane waves:    2834
 k-point  24 :   0.3333 0.3333 0.0000  plane waves:    2834
 k-point  25 :   0.0000 0.3333 0.0000  plane waves:    2834
 k-point  26 :   0.3750 0.0000 0.0000  plane waves:    2834
 k-point  27 :   0.3750 0.3750 0.0000  plane waves:    2834
 k-point  28 :   0.0000 0.3750 0.0000  plane waves:    2834
 k-point  29 :   0.4167 0.0000 0.0000  plane waves:    2828
 k-point  30 :   0.4167 0.4167 0.0000  plane waves:    2828
 k-point  31 :   0.0000 0.4167 0.0000  plane waves:    2828
 k-point  32 :   0.4583 0.0000 0.0000  plane waves:    2828
 k-point  33 :   0.4583 0.4583 0.0000  plane waves:    2828
 k-point  34 :   0.0000 0.4583 0.0000  plane waves:    2828
 k-point  35 :   0.5000 0.0000 0.0000  plane waves:    2824
 k-point  36 :   0.5000 0.5000 0.0000  plane waves:    2824
 k-point  37 :   0.0000 0.5000 0.0000  plane waves:    2824
 k-point  38 :   0.0833 0.0417 0.0000  plane waves:    2833
 k-point  39 :   0.0417 0.0833 0.0000  plane waves:    2833
 k-point  40 :  -0.0417 0.0417 0.0000  plane waves:    2833
 k-point  41 :   0.1250 0.0417 0.0000  plane waves:    2835
 k-point  42 :   0.0833 0.1250 0.0000  plane waves:    2835
 k-point  43 :  -0.0417 0.0833 0.0000  plane waves:    2835
 k-point  44 :   0.0833-0.0417 0.0000  plane waves:    2835
 k-point  45 :  -0.0417-0.1250 0.0000  plane waves:    2835
 k-point  46 :  -0.1250-0.0833 0.0000  plane waves:    2835
 k-point  47 :   0.1667 0.0417 0.0000  plane waves:    2838
 k-point  48 :   0.1250 0.1667 0.0000  plane waves:    2838
 k-point  49 :  -0.0417 0.1250 0.0000  plane waves:    2838
 k-point  50 :   0.1250-0.0417 0.0000  plane waves:    2838
 k-point  51 :  -0.0417-0.1667 0.0000  plane waves:    2838
 k-point  52 :  -0.1667-0.1250 0.0000  plane waves:    2838
 k-point  53 :   0.2083 0.0417 0.0000  plane waves:    2840
 k-point  54 :   0.1667 0.2083 0.0000  plane waves:    2840
 k-point  55 :  -0.0417 0.1667 0.0000  plane waves:    2840
 k-point  56 :   0.1667-0.0417 0.0000  plane waves:    2840
 k-point  57 :  -0.0417-0.2083 0.0000  plane waves:    2840
 k-point  58 :  -0.2083-0.1667 0.0000  plane waves:    2840
 k-point  59 :   0.2500 0.0417 0.0000  plane waves:    2844
 k-point  60 :   0.2083 0.2500 0.0000  plane waves:    2844
 k-point  61 :  -0.0417 0.2083 0.0000  plane waves:    2844
 k-point  62 :   0.2083-0.0417 0.0000  plane waves:    2844
 k-point  63 :  -0.0417-0.2500 0.0000  plane waves:    2844
 k-point  64 :  -0.2500-0.2083 0.0000  plane waves:    2844
 k-point  65 :   0.2917 0.0417 0.0000  plane waves:    2836
 k-point  66 :   0.2500 0.2917 0.0000  plane waves:    2836
 k-point  67 :  -0.0417 0.2500 0.0000  plane waves:    2836
 k-point  68 :   0.2500-0.0417 0.0000  plane waves:    2836
 k-point  69 :  -0.0417-0.2917 0.0000  plane waves:    2836
 k-point  70 :  -0.2917-0.2500 0.0000  plane waves:    2836
 k-point  71 :   0.3333 0.0417 0.0000  plane waves:    2826
 k-point  72 :   0.2917 0.3333 0.0000  plane waves:    2826
 k-point  73 :  -0.0417 0.2917 0.0000  plane waves:    2826
 k-point  74 :   0.2917-0.0417 0.0000  plane waves:    2826
 k-point  75 :  -0.0417-0.3333 0.0000  plane waves:    2826
 k-point  76 :  -0.3333-0.2917 0.0000  plane waves:    2826
 k-point  77 :   0.3750 0.0417 0.0000  plane waves:    2833
 k-point  78 :   0.3333 0.3750 0.0000  plane waves:    2833
 k-point  79 :  -0.0417 0.3333 0.0000  plane waves:    2833
 k-point  80 :   0.3333-0.0417 0.0000  plane waves:    2833
 k-point  81 :  -0.0417-0.3750 0.0000  plane waves:    2833
 k-point  82 :  -0.3750-0.3333 0.0000  plane waves:    2833
 k-point  83 :   0.4167 0.0417 0.0000  plane waves:    2829
 k-point  84 :   0.3750 0.4167 0.0000  plane waves:    2829
 k-point  85 :  -0.0417 0.3750 0.0000  plane waves:    2829
 k-point  86 :   0.3750-0.0417 0.0000  plane waves:    2829
 k-point  87 :  -0.0417-0.4167 0.0000  plane waves:    2829
 k-point  88 :  -0.4167-0.3750 0.0000  plane waves:    2829
 k-point  89 :   0.4583 0.0417 0.0000  plane waves:    2824
 k-point  90 :   0.4167 0.4583 0.0000  plane waves:    2824
 k-point  91 :  -0.0417 0.4167 0.0000  plane waves:    2824
 k-point  92 :   0.4167-0.0417 0.0000  plane waves:    2824
 k-point  93 :  -0.0417-0.4583 0.0000  plane waves:    2824
 k-point  94 :  -0.4583-0.4167 0.0000  plane waves:    2824
 k-point  95 :   0.5000 0.0417 0.0000  plane waves:    2832
 k-point  96 :   0.4583 0.5000 0.0000  plane waves:    2832
 k-point  97 :  -0.0417 0.4583 0.0000  plane waves:    2832
 k-point  98 :   0.4583-0.0417 0.0000  plane waves:    2832
 k-point  99 :  -0.0417 0.5000 0.0000  plane waves:    2832
 k-point 100 :   0.5000-0.4583 0.0000  plane waves:    2832
 k-point 101 :   0.1667 0.0833 0.0000  plane waves:    2847
 k-point 102 :   0.0833 0.1667 0.0000  plane waves:    2847
 k-point 103 :  -0.0833 0.0833 0.0000  plane waves:    2847
 k-point 104 :   0.2083 0.0833 0.0000  plane waves:    2843
 k-point 105 :   0.1250 0.2083 0.0000  plane waves:    2843
 k-point 106 :  -0.0833 0.1250 0.0000  plane waves:    2843
 k-point 107 :   0.1250-0.0833 0.0000  plane waves:    2843
 k-point 108 :  -0.0833-0.2083 0.0000  plane waves:    2843
 k-point 109 :  -0.2083-0.1250 0.0000  plane waves:    2843
 k-point 110 :   0.2500 0.0833 0.0000  plane waves:    2844
 k-point 111 :   0.1667 0.2500 0.0000  plane waves:    2844
 k-point 112 :  -0.0833 0.1667 0.0000  plane waves:    2844
 k-point 113 :   0.1667-0.0833 0.0000  plane waves:    2844
 k-point 114 :  -0.0833-0.2500 0.0000  plane waves:    2844
 k-point 115 :  -0.2500-0.1667 0.0000  plane waves:    2844
 k-point 116 :   0.2917 0.0833 0.0000  plane waves:    2840
 k-point 117 :   0.2083 0.2917 0.0000  plane waves:    2840
 k-point 118 :  -0.0833 0.2083 0.0000  plane waves:    2840
 k-point 119 :   0.2083-0.0833 0.0000  plane waves:    2840
 k-point 120 :  -0.0833-0.2917 0.0000  plane waves:    2840
 k-point 121 :  -0.2917-0.2083 0.0000  plane waves:    2840
 k-point 122 :   0.3333 0.0833 0.0000  plane waves:    2832
 k-point 123 :   0.2500 0.3333 0.0000  plane waves:    2832
 k-point 124 :  -0.0833 0.2500 0.0000  plane waves:    2832
 k-point 125 :   0.2500-0.0833 0.0000  plane waves:    2832
 k-point 126 :  -0.0833-0.3333 0.0000  plane waves:    2832
 k-point 127 :  -0.3333-0.2500 0.0000  plane waves:    2832
 k-point 128 :   0.3750 0.0833 0.0000  plane waves:    2825
 k-point 129 :   0.2917 0.3750 0.0000  plane waves:    2825
 k-point 130 :  -0.0833 0.2917 0.0000  plane waves:    2825
 k-point 131 :   0.2917-0.0833 0.0000  plane waves:    2825
 k-point 132 :  -0.0833-0.3750 0.0000  plane waves:    2825
 k-point 133 :  -0.3750-0.2917 0.0000  plane waves:    2825
 k-point 134 :   0.4167 0.0833 0.0000  plane waves:    2830
 k-point 135 :   0.3333 0.4167 0.0000  plane waves:    2830
 k-point 136 :  -0.0833 0.3333 0.0000  plane waves:    2830
 k-point 137 :   0.3333-0.0833 0.0000  plane waves:    2830
 k-point 138 :  -0.0833-0.4167 0.0000  plane waves:    2830
 k-point 139 :  -0.4167-0.3333 0.0000  plane waves:    2830
 k-point 140 :   0.4583 0.0833 0.0000  plane waves:    2823
 k-point 141 :   0.3750 0.4583 0.0000  plane waves:    2823
 k-point 142 :  -0.0833 0.3750 0.0000  plane waves:    2823
 k-point 143 :   0.3750-0.0833 0.0000  plane waves:    2823
 k-point 144 :  -0.0833-0.4583 0.0000  plane waves:    2823
 k-point 145 :  -0.4583-0.3750 0.0000  plane waves:    2823
 k-point 146 :   0.5000 0.0833 0.0000  plane waves:    2817
 k-point 147 :   0.4167 0.5000 0.0000  plane waves:    2817
 k-point 148 :  -0.0833 0.4167 0.0000  plane waves:    2817
 k-point 149 :   0.4167-0.0833 0.0000  plane waves:    2817
 k-point 150 :  -0.0833 0.5000 0.0000  plane waves:    2817
 k-point 151 :   0.5000-0.4167 0.0000  plane waves:    2817
 k-point 152 :  -0.4583 0.0833 0.0000  plane waves:    2820
 k-point 153 :   0.4583-0.4583 0.0000  plane waves:    2820
 k-point 154 :  -0.0833 0.4583 0.0000  plane waves:    2820
 k-point 155 :   0.2500 0.1250 0.0000  plane waves:    2839
 k-point 156 :   0.1250 0.2500 0.0000  plane waves:    2839
 k-point 157 :  -0.1250 0.1250 0.0000  plane waves:    2839
 k-point 158 :   0.2917 0.1250 0.0000  plane waves:    2831
 k-point 159 :   0.1667 0.2917 0.0000  plane waves:    2831
 k-point 160 :  -0.1250 0.1667 0.0000  plane waves:    2831
 k-point 161 :   0.1667-0.1250 0.0000  plane waves:    2831
 k-point 162 :  -0.1250-0.2917 0.0000  plane waves:    2831
 k-point 163 :  -0.2917-0.1667 0.0000  plane waves:    2831
 k-point 164 :   0.3333 0.1250 0.0000  plane waves:    2832
 k-point 165 :   0.2083 0.3333 0.0000  plane waves:    2832
 k-point 166 :  -0.1250 0.2083 0.0000  plane waves:    2832
 k-point 167 :   0.2083-0.1250 0.0000  plane waves:    2832
 k-point 168 :  -0.1250-0.3333 0.0000  plane waves:    2832
 k-point 169 :  -0.3333-0.2083 0.0000  plane waves:    2832
 k-point 170 :   0.3750 0.1250 0.0000  plane waves:    2831
 k-point 171 :   0.2500 0.3750 0.0000  plane waves:    2831
 k-point 172 :  -0.1250 0.2500 0.0000  plane waves:    2831
 k-point 173 :   0.2500-0.1250 0.0000  plane waves:    2831
 k-point 174 :  -0.1250-0.3750 0.0000  plane waves:    2831
 k-point 175 :  -0.3750-0.2500 0.0000  plane waves:    2831
 k-point 176 :   0.4167 0.1250 0.0000  plane waves:    2832
 k-point 177 :   0.2917 0.4167 0.0000  plane waves:    2832
 k-point 178 :  -0.1250 0.2917 0.0000  plane waves:    2832
 k-point 179 :   0.2917-0.1250 0.0000  plane waves:    2832
 k-point 180 :  -0.1250-0.4167 0.0000  plane waves:    2832
 k-point 181 :  -0.4167-0.2917 0.0000  plane waves:    2832
 k-point 182 :   0.4583 0.1250 0.0000  plane waves:    2822
 k-point 183 :   0.3333 0.4583 0.0000  plane waves:    2822
 k-point 184 :  -0.1250 0.3333 0.0000  plane waves:    2822
 k-point 185 :   0.3333-0.1250 0.0000  plane waves:    2822
 k-point 186 :  -0.1250-0.4583 0.0000  plane waves:    2822
 k-point 187 :  -0.4583-0.3333 0.0000  plane waves:    2822
 k-point 188 :   0.5000 0.1250 0.0000  plane waves:    2824
 k-point 189 :   0.3750 0.5000 0.0000  plane waves:    2824
 k-point 190 :  -0.1250 0.3750 0.0000  plane waves:    2824
 k-point 191 :   0.3750-0.1250 0.0000  plane waves:    2824
 k-point 192 :  -0.1250 0.5000 0.0000  plane waves:    2824
 k-point 193 :   0.5000-0.3750 0.0000  plane waves:    2824
 k-point 194 :  -0.4583 0.1250 0.0000  plane waves:    2815
 k-point 195 :   0.4167-0.4583 0.0000  plane waves:    2815
 k-point 196 :  -0.1250 0.4167 0.0000  plane waves:    2815
 k-point 197 :   0.4167-0.1250 0.0000  plane waves:    2815
 k-point 198 :  -0.1250 0.4583 0.0000  plane waves:    2815
 k-point 199 :   0.4583-0.4167 0.0000  plane waves:    2815
 k-point 200 :   0.3333 0.1667 0.0000  plane waves:    2839
 k-point 201 :   0.1667 0.3333 0.0000  plane waves:    2839
 k-point 202 :  -0.1667 0.1667 0.0000  plane waves:    2839
 k-point 203 :   0.3750 0.1667 0.0000  plane waves:    2824
 k-point 204 :   0.2083 0.3750 0.0000  plane waves:    2824
 k-point 205 :  -0.1667 0.2083 0.0000  plane waves:    2824
 k-point 206 :   0.2083-0.1667 0.0000  plane waves:    2824
 k-point 207 :  -0.1667-0.3750 0.0000  plane waves:    2824
 k-point 208 :  -0.3750-0.2083 0.0000  plane waves:    2824
 k-point 209 :   0.4167 0.1667 0.0000  plane waves:    2830
 k-point 210 :   0.2500 0.4167 0.0000  plane waves:    2830
 k-point 211 :  -0.1667 0.2500 0.0000  plane waves:    2830
 k-point 212 :   0.2500-0.1667 0.0000  plane waves:    2830
 k-point 213 :  -0.1667-0.4167 0.0000  plane waves:    2830
 k-point 214 :  -0.4167-0.2500 0.0000  plane waves:    2830
 k-point 215 :   0.4583 0.1667 0.0000  plane waves:    2832
 k-point 216 :   0.2917 0.4583 0.0000  plane waves:    2832
 k-point 217 :  -0.1667 0.2917 0.0000  plane waves:    2832
 k-point 218 :   0.2917-0.1667 0.0000  plane waves:    2832
 k-point 219 :  -0.1667-0.4583 0.0000  plane waves:    2832
 k-point 220 :  -0.4583-0.2917 0.0000  plane waves:    2832
 k-point 221 :   0.5000 0.1667 0.0000  plane waves:    2813
 k-point 222 :   0.3333 0.5000 0.0000  plane waves:    2813
 k-point 223 :  -0.1667 0.3333 0.0000  plane waves:    2813
 k-point 224 :   0.3333-0.1667 0.0000  plane waves:    2813
 k-point 225 :  -0.1667 0.5000 0.0000  plane waves:    2813
 k-point 226 :   0.5000-0.3333 0.0000  plane waves:    2813
 k-point 227 :  -0.4583 0.1667 0.0000  plane waves:    2806
 k-point 228 :   0.3750-0.4583 0.0000  plane waves:    2806
 k-point 229 :  -0.1667 0.3750 0.0000  plane waves:    2806
 k-point 230 :   0.3750-0.1667 0.0000  plane waves:    2806
 k-point 231 :  -0.1667 0.4583 0.0000  plane waves:    2806
 k-point 232 :   0.4583-0.3750 0.0000  plane waves:    2806
 k-point 233 :  -0.4167 0.1667 0.0000  plane waves:    2804
 k-point 234 :   0.4167-0.4167 0.0000  plane waves:    2804
 k-point 235 :  -0.1667 0.4167 0.0000  plane waves:    2804
 k-point 236 :   0.4167 0.2083 0.0000  plane waves:    2827
 k-point 237 :   0.2083 0.4167 0.0000  plane waves:    2827
 k-point 238 :  -0.2083 0.2083 0.0000  plane waves:    2827
 k-point 239 :   0.4583 0.2083 0.0000  plane waves:    2820
 k-point 240 :   0.2500 0.4583 0.0000  plane waves:    2820
 k-point 241 :  -0.2083 0.2500 0.0000  plane waves:    2820
 k-point 242 :   0.2500-0.2083 0.0000  plane waves:    2820
 k-point 243 :  -0.2083-0.4583 0.0000  plane waves:    2820
 k-point 244 :  -0.4583-0.2500 0.0000  plane waves:    2820
 k-point 245 :   0.5000 0.2083 0.0000  plane waves:    2816
 k-point 246 :   0.2917 0.5000 0.0000  plane waves:    2816
 k-point 247 :  -0.2083 0.2917 0.0000  plane waves:    2816
 k-point 248 :   0.2917-0.2083 0.0000  plane waves:    2816
 k-point 249 :  -0.2083 0.5000 0.0000  plane waves:    2816
 k-point 250 :   0.5000-0.2917 0.0000  plane waves:    2816
 k-point 251 :  -0.4583 0.2083 0.0000  plane waves:    2802
 k-point 252 :   0.3333-0.4583 0.0000  plane waves:    2802
 k-point 253 :  -0.2083 0.3333 0.0000  plane waves:    2802
 k-point 254 :   0.3333-0.2083 0.0000  plane waves:    2802
 k-point 255 :  -0.2083 0.4583 0.0000  plane waves:    2802
 k-point 256 :   0.4583-0.3333 0.0000  plane waves:    2802
 k-point 257 :  -0.4167 0.2083 0.0000  plane waves:    2802
 k-point 258 :   0.3750-0.4167 0.0000  plane waves:    2802
 k-point 259 :  -0.2083 0.3750 0.0000  plane waves:    2802
 k-point 260 :   0.3750-0.2083 0.0000  plane waves:    2802
 k-point 261 :  -0.2083 0.4167 0.0000  plane waves:    2802
 k-point 262 :   0.4167-0.3750 0.0000  plane waves:    2802
 k-point 263 :   0.5000 0.2500 0.0000  plane waves:    2809
 k-point 264 :   0.2500 0.5000 0.0000  plane waves:    2809
 k-point 265 :  -0.2500 0.2500 0.0000  plane waves:    2809
 k-point 266 :  -0.4583 0.2500 0.0000  plane waves:    2802
 k-point 267 :   0.2917-0.4583 0.0000  plane waves:    2802
 k-point 268 :  -0.2500 0.2917 0.0000  plane waves:    2802
 k-point 269 :   0.2917-0.2500 0.0000  plane waves:    2802
 k-point 270 :  -0.2500 0.4583 0.0000  plane waves:    2802
 k-point 271 :   0.4583-0.2917 0.0000  plane waves:    2802
 k-point 272 :  -0.4167 0.2500 0.0000  plane waves:    2792
 k-point 273 :   0.3333-0.4167 0.0000  plane waves:    2792
 k-point 274 :  -0.2500 0.3333 0.0000  plane waves:    2792
 k-point 275 :   0.3333-0.2500 0.0000  plane waves:    2792
 k-point 276 :  -0.2500 0.4167 0.0000  plane waves:    2792
 k-point 277 :   0.4167-0.3333 0.0000  plane waves:    2792
 k-point 278 :  -0.3750 0.2500 0.0000  plane waves:    2794
 k-point 279 :   0.3750-0.3750 0.0000  plane waves:    2794
 k-point 280 :  -0.2500 0.3750 0.0000  plane waves:    2794
 k-point 281 :  -0.4167 0.2917 0.0000  plane waves:    2791
 k-point 282 :   0.2917-0.4167 0.0000  plane waves:    2791
 k-point 283 :  -0.2917 0.2917 0.0000  plane waves:    2791
 k-point 284 :  -0.3750 0.2917 0.0000  plane waves:    2790
 k-point 285 :   0.3333-0.3750 0.0000  plane waves:    2790
 k-point 286 :  -0.2917 0.3333 0.0000  plane waves:    2790
 k-point 287 :   0.3333-0.2917 0.0000  plane waves:    2790
 k-point 288 :  -0.2917 0.3750 0.0000  plane waves:    2790
 k-point 289 :   0.3750-0.3333 0.0000  plane waves:    2790
 k-point 290 :  -0.3333 0.3333 0.0000  plane waves:    2760

 maximum and minimum number of plane-waves per node :       739      669

 maximum number of plane-waves:      2867
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   35
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -35


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


 FFT grid for exact exchange (Hartree Fock) 
  NGX = 14; NGY = 14; NGZ =108

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   1.301 (default was   1.041)
       energy cutoff for augmentation   1600.0

 real space projection operators:
  total allocation   :        354.30 KBytes
  max/ min on nodes  :        105.19         71.16

 Maximum index for augmentation-charges in exchange          385
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0   116041. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        216. kBytes
   wavefun   :      63141. kBytes
 
     INWAV:  cpu time      1.7505: real time      1.7556
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 71
  (NGX  = 40   NGY  = 40   NGZ  =288)
  gives a total of   5751 points

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


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


 Maximum index for augmentation-charges         7097 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.330
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x10

    FEWALD:  cpu time      0.0014: real time      0.0014


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


vdW kernel read from vdw_kernel.bindat
  0.0000  0.2424  0.5071  0.7962  1.1119  1.4567  1.8333  2.2446  2.6937  3.1842
  3.7199  4.3049  4.9438  5.6415  6.4036  7.2358  8.1446  9.1372 10.2212 11.4050
 12.6979 14.1099 15.6519 17.3360 19.1751 21.1837 23.3773 25.7729 28.3892 31.2465
 34.3669 37.7748 41.4965 45.5611 50.0000
 
    POTLOK:  cpu time      0.8860: real time      0.8886
    SETDIJ:  cpu time      0.7979: real time      0.7994
    TRIAL :  cpu time   3820.1630: real time   3834.7418
    CORREC:  cpu time      0.0088: real time      0.0088
    CHARGE:  cpu time      0.4490: real time      0.4506
    --------------------------------------------
      LOOP:  cpu time   3822.3109: real time   3836.9456

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1007448E+02  (-0.1242125E+00)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.1701614 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.59426655
  -exchange      EXHF   =        26.37574647
  -V(xc)+E(xc)   XCENC  =       -67.00432197
  PAW double counting   =       338.43273506     -257.68482852
  entropy T*S    EENTRO =         0.00098389
  eigenvalues    EBANDS =       -52.03065490
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.07448391 eV

  energy without entropy =      -10.07546781  energy(sigma->0) =      -10.07481188
  exchange ACFDT corr.  =         0.00009877  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5230: real time      0.5245
    SETDIJ:  cpu time      0.7973: real time      0.7987
    TRIAL :  cpu time   3832.3156: real time   3846.5806
    CORREC:  cpu time      0.0090: real time      0.0090
    CHARGE:  cpu time      0.4581: real time      0.4598
    --------------------------------------------
      LOOP:  cpu time   3834.1034: real time   3848.3731

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1154146E+00  (-0.1570938E+00)
 number of electron      12.0000000 magnetization      -0.0000003
 augmentation part       -0.1477010 magnetization      -0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.14442536
  -exchange      EXHF   =        26.37730249
  -V(xc)+E(xc)   XCENC  =       -66.98440740
  PAW double counting   =       496.63671966     -415.87339894
  entropy T*S    EENTRO =         0.00095121
  eigenvalues    EBANDS =       -52.63276738
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.18989854 eV

  energy without entropy =      -10.19084975  energy(sigma->0) =      -10.19021561
  exchange ACFDT corr.  =        -0.00022624  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5229: real time      0.5244
    SETDIJ:  cpu time      0.7963: real time      0.7980
    TRIAL :  cpu time   3796.5698: real time   3810.8088
    CORREC:  cpu time      0.0086: real time      0.0086
    CHARGE:  cpu time      0.4329: real time      0.4345
    --------------------------------------------
      LOOP:  cpu time   3798.3309: real time   3812.5748

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1409662E+00  (-0.1412527E+00)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.1244431 magnetization      -0.0000020

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1080.71667224
  -exchange      EXHF   =        26.38271496
  -V(xc)+E(xc)   XCENC  =       -66.95740055
  PAW double counting   =       972.92690147     -892.14434205
  entropy T*S    EENTRO =         0.00092555
  eigenvalues    EBANDS =       -53.25311207
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.33086477 eV

  energy without entropy =      -10.33179032  energy(sigma->0) =      -10.33117329
  exchange ACFDT corr.  =        -0.00020422  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5235: real time      0.5250
    SETDIJ:  cpu time      0.7958: real time      0.7975
    TRIAL :  cpu time   3788.7266: real time   3803.5686
    CORREC:  cpu time      0.0086: real time      0.0086
    CHARGE:  cpu time      0.4416: real time      0.4433
    --------------------------------------------
      LOOP:  cpu time   3790.4965: real time   3805.3433

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1262522E+00  (-0.1173000E+00)
 number of electron      12.0000000 magnetization      -0.0000004
 augmentation part       -0.1032115 magnetization      -0.0000021

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1080.59417555
  -exchange      EXHF   =        26.39291285
  -V(xc)+E(xc)   XCENC  =       -66.93255800
  PAW double counting   =      2095.88637512    -2015.08850062
  entropy T*S    EENTRO =         0.00091786
  eigenvalues    EBANDS =       -53.55219087
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.45711700 eV

  energy without entropy =      -10.45803486  energy(sigma->0) =      -10.45742296
  exchange ACFDT corr.  =        -0.00013228  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5232: real time      0.5247
    SETDIJ:  cpu time      0.7967: real time      0.7983
    TRIAL :  cpu time   3790.2792: real time   3804.6063
    CORREC:  cpu time      0.0084: real time      0.0084
    CHARGE:  cpu time      0.4454: real time      0.4471
    --------------------------------------------
      LOOP:  cpu time   3792.0533: real time   3806.3852

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1061655E+00  (-0.9758452E-01)
 number of electron      12.0000000 magnetization      -0.0000008
 augmentation part       -0.0847729 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1080.76086917
  -exchange      EXHF   =        26.40538749
  -V(xc)+E(xc)   XCENC  =       -66.91545880
  PAW double counting   =      4258.81281992    -4178.00738690
  entropy T*S    EENTRO =         0.00093203
  eigenvalues    EBANDS =       -53.52878743
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.56328254 eV

  energy without entropy =      -10.56421456  energy(sigma->0) =      -10.56359321
  exchange ACFDT corr.  =        -0.00014163  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5235: real time      0.5250
    SETDIJ:  cpu time      0.7983: real time      0.7997
    TRIAL :  cpu time   3792.7195: real time   3807.3146
    CORREC:  cpu time      0.0087: real time      0.0087
    CHARGE:  cpu time      0.4453: real time      0.4471
    --------------------------------------------
      LOOP:  cpu time   3794.4957: real time   3809.0955

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8886054E-01  (-0.7963755E-01)
 number of electron      12.0000000 magnetization      -0.0000019
 augmentation part       -0.0687826 magnetization       0.0000018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.03291739
  -exchange      EXHF   =        26.41596498
  -V(xc)+E(xc)   XCENC  =       -66.90764296
  PAW double counting   =      7797.40847940    -7716.60343970
  entropy T*S    EENTRO =         0.00096451
  eigenvalues    EBANDS =       -53.36361394
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.65214308 eV

  energy without entropy =      -10.65310759  energy(sigma->0) =      -10.65246458
  exchange ACFDT corr.  =        -0.00009617  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5226: real time      0.5242
    SETDIJ:  cpu time      0.7967: real time      0.7982
    TRIAL :  cpu time   3790.4211: real time   3804.8252
    CORREC:  cpu time      0.0082: real time      0.0082
    CHARGE:  cpu time      0.4348: real time      0.4365
    --------------------------------------------
      LOOP:  cpu time   3792.1840: real time   3806.5929

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7197651E-01  (-0.6151928E-01)
 number of electron      12.0000000 magnetization      -0.0000033
 augmentation part       -0.0545978 magnetization       0.0000050

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.24421492
  -exchange      EXHF   =        26.42182953
  -V(xc)+E(xc)   XCENC  =       -66.90725189
  PAW double counting   =     12946.91283439   -12866.11373889
  entropy T*S    EENTRO =         0.00101187
  eigenvalues    EBANDS =       -53.22463683
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.72411959 eV

  energy without entropy =      -10.72513145  energy(sigma->0) =      -10.72445688
  exchange ACFDT corr.  =        -0.00005609  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5233: real time      0.5248
    SETDIJ:  cpu time      0.7961: real time      0.7977
    TRIAL :  cpu time   3783.3489: real time   3797.8235
    CORREC:  cpu time      0.0084: real time      0.0084
    CHARGE:  cpu time      0.4350: real time      0.4368
    --------------------------------------------
      LOOP:  cpu time   3785.1121: real time   3799.5915

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5481916E-01  (-0.4455263E-01)
 number of electron      12.0000000 magnetization      -0.0000049
 augmentation part       -0.0418172 magnetization       0.0000077

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.33508851
  -exchange      EXHF   =        26.42306007
  -V(xc)+E(xc)   XCENC  =       -66.91061295
  PAW double counting   =     19857.82781621   -19777.03688455
  entropy T*S    EENTRO =         0.00107057
  eigenvalues    EBANDS =       -53.17833539
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.77893875 eV

  energy without entropy =      -10.78000931  energy(sigma->0) =      -10.77929560
  exchange ACFDT corr.  =        -0.00002104  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5234: real time      0.5249
    SETDIJ:  cpu time      0.7953: real time      0.7968
    TRIAL :  cpu time   3788.2488: real time   3802.7393
    CORREC:  cpu time      0.0085: real time      0.0085
    CHARGE:  cpu time      0.4315: real time      0.4331
    --------------------------------------------
      LOOP:  cpu time   3790.0078: real time   3804.5031

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3910886E-01  (-0.3016133E-01)
 number of electron      12.0000000 magnetization      -0.0000064
 augmentation part       -0.0305278 magnetization       0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.34609206
  -exchange      EXHF   =        26.42200011
  -V(xc)+E(xc)   XCENC  =       -66.91418512
  PAW double counting   =     28545.61134659   -28464.82794708
  entropy T*S    EENTRO =         0.00113454
  eigenvalues    EBANDS =       -53.19433511
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.81804760 eV

  energy without entropy =      -10.81918214  energy(sigma->0) =      -10.81842578
  exchange ACFDT corr.  =        -0.00000047  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5221: real time      0.5236
    SETDIJ:  cpu time      0.7983: real time      0.7998
    TRIAL :  cpu time   3789.2451: real time   3803.6652
    CORREC:  cpu time      0.0085: real time      0.0085
    CHARGE:  cpu time      0.4362: real time      0.4379
    --------------------------------------------
      LOOP:  cpu time   3791.0106: real time   3805.4354

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2603643E-01  (-0.1873130E-01)
 number of electron      12.0000000 magnetization      -0.0000075
 augmentation part       -0.0211445 magnetization       0.0000074

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.35345773
  -exchange      EXHF   =        26.42122903
  -V(xc)+E(xc)   XCENC  =       -66.91604295
  PAW double counting   =     38664.38225499   -38583.60443931
  entropy T*S    EENTRO =         0.00119706
  eigenvalues    EBANDS =       -53.20485711
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84408404 eV

  energy without entropy =      -10.84528110  energy(sigma->0) =      -10.84448306
  exchange ACFDT corr.  =         0.00001552  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5219: real time      0.5234
    SETDIJ:  cpu time      0.7973: real time      0.7988
    TRIAL :  cpu time   3784.1392: real time   3798.9397
    CORREC:  cpu time      0.0085: real time      0.0085
    CHARGE:  cpu time      0.4423: real time      0.4441
    --------------------------------------------
      LOOP:  cpu time   3785.9097: real time   3800.7149

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1583498E-01  (-0.1047512E-01)
 number of electron      12.0000000 magnetization      -0.0000082
 augmentation part       -0.0139396 magnetization       0.0000046

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.39271019
  -exchange      EXHF   =        26.42170673
  -V(xc)+E(xc)   XCENC  =       -66.91629337
  PAW double counting   =     49316.89627609   -49236.12226653
  entropy T*S    EENTRO =         0.00125441
  eigenvalues    EBANDS =       -53.17792331
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.85991902 eV

  energy without entropy =      -10.86117343  energy(sigma->0) =      -10.86033716
  exchange ACFDT corr.  =         0.00002042  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5226: real time      0.5241
    SETDIJ:  cpu time      0.7987: real time      0.8002
    TRIAL :  cpu time   3797.1273: real time   3811.9034
    CORREC:  cpu time      0.0082: real time      0.0083
    CHARGE:  cpu time      0.4420: real time      0.4438
    --------------------------------------------
      LOOP:  cpu time   3798.8993: real time   3813.6802

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8636562E-02  (-0.5248508E-02)
 number of electron      12.0000000 magnetization      -0.0000086
 augmentation part       -0.0088231 magnetization       0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.44288370
  -exchange      EXHF   =        26.42281954
  -V(xc)+E(xc)   XCENC  =       -66.91608177
  PAW double counting   =     59329.09697650   -59248.32578198
  entropy T*S    EENTRO =         0.00130652
  eigenvalues    EBANDS =       -53.13495308
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.86855558 eV

  energy without entropy =      -10.86986210  energy(sigma->0) =      -10.86899109
  exchange ACFDT corr.  =         0.00003236  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5220: real time      0.5235
    SETDIJ:  cpu time      0.7983: real time      0.7997
    TRIAL :  cpu time   3751.0160: real time   3765.3307
    CORREC:  cpu time      0.0081: real time      0.0081
    CHARGE:  cpu time      0.4396: real time      0.4414
    --------------------------------------------
      LOOP:  cpu time   3752.7844: real time   3767.1038

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4202335E-02  (-0.2349864E-02)
 number of electron      12.0000000 magnetization      -0.0000088
 augmentation part       -0.0054424 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.47569074
  -exchange      EXHF   =        26.42377252
  -V(xc)+E(xc)   XCENC  =       -66.91625254
  PAW double counting   =     67754.61642128   -67673.84763502
  entropy T*S    EENTRO =         0.00135412
  eigenvalues    EBANDS =       -53.10477444
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87275792 eV

  energy without entropy =      -10.87411204  energy(sigma->0) =      -10.87320929
  exchange ACFDT corr.  =         0.00004175  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5219: real time      0.5233
    SETDIJ:  cpu time      0.7976: real time      0.7991
    TRIAL :  cpu time   3753.4953: real time   3767.5522
    CORREC:  cpu time      0.0082: real time      0.0083
    CHARGE:  cpu time      0.4344: real time      0.4361
    --------------------------------------------
      LOOP:  cpu time   3755.2579: real time   3769.3195

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1812580E-02  (-0.9358246E-03)
 number of electron      12.0000000 magnetization      -0.0000087
 augmentation part       -0.0033611 magnetization      -0.0000023

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.48768395
  -exchange      EXHF   =        26.42435755
  -V(xc)+E(xc)   XCENC  =       -66.91687554
  PAW double counting   =     74136.74948567   -74055.98283399
  entropy T*S    EENTRO =         0.00139662
  eigenvalues    EBANDS =       -53.09246888
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87457050 eV

  energy without entropy =      -10.87596711  energy(sigma->0) =      -10.87503604
  exchange ACFDT corr.  =         0.00005054  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5221: real time      0.5236
    SETDIJ:  cpu time      0.7976: real time      0.7991
    TRIAL :  cpu time   3747.2688: real time   3761.3849
    CORREC:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.4340: real time      0.4357
    --------------------------------------------
      LOOP:  cpu time   3749.0309: real time   3763.1517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6915773E-03  (-0.3487338E-03)
 number of electron      12.0000000 magnetization      -0.0000085
 augmentation part       -0.0021880 magnetization      -0.0000033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.49170017
  -exchange      EXHF   =        26.42478579
  -V(xc)+E(xc)   XCENC  =       -66.91757573
  PAW double counting   =     78479.82139418   -78399.05655591
  entropy T*S    EENTRO =         0.00143298
  eigenvalues    EBANDS =       -53.08710135
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87526208 eV

  energy without entropy =      -10.87669505  energy(sigma->0) =      -10.87573973
  exchange ACFDT corr.  =         0.00005461  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5213: real time      0.5229
    SETDIJ:  cpu time      0.7952: real time      0.7966
    TRIAL :  cpu time   3751.6118: real time   3765.4956
    CORREC:  cpu time      0.0083: real time      0.0083
    CHARGE:  cpu time      0.4338: real time      0.4355
    --------------------------------------------
      LOOP:  cpu time   3753.3710: real time   3767.2595

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2529327E-03  (-0.1490025E-03)
 number of electron      12.0000000 magnetization      -0.0000082
 augmentation part       -0.0016095 magnetization      -0.0000038

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.49685567
  -exchange      EXHF   =        26.42525754
  -V(xc)+E(xc)   XCENC  =       -66.91805439
  PAW double counting   =     81087.94475345   -81007.18097700
  entropy T*S    EENTRO =         0.00146343
  eigenvalues    EBANDS =       -53.08116643
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87551501 eV

  energy without entropy =      -10.87697843  energy(sigma->0) =      -10.87600282
  exchange ACFDT corr.  =         0.00005634  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5217: real time      0.5232
    SETDIJ:  cpu time      0.7965: real time      0.7982
    TRIAL :  cpu time   3764.7580: real time   3779.3229
    CORREC:  cpu time      0.0079: real time      0.0079
    CHARGE:  cpu time      0.4329: real time      0.4347
    --------------------------------------------
      LOOP:  cpu time   3766.5174: real time   3781.0872

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1139930E-03  (-0.8818952E-04)
 number of electron      12.0000000 magnetization      -0.0000079
 augmentation part       -0.0013935 magnetization      -0.0000039

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.50310604
  -exchange      EXHF   =        26.42579098
  -V(xc)+E(xc)   XCENC  =       -66.91827930
  PAW double counting   =     82425.78158279   -82345.01843436
  entropy T*S    EENTRO =         0.00148902
  eigenvalues    EBANDS =       -53.07474100
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87562900 eV

  energy without entropy =      -10.87711802  energy(sigma->0) =      -10.87612534
  exchange ACFDT corr.  =         0.00006147  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5242: real time      0.5257
    SETDIJ:  cpu time      0.7966: real time      0.7981
    TRIAL :  cpu time   3750.0271: real time   3763.9578
    CORREC:  cpu time      0.0075: real time      0.0075
    CHARGE:  cpu time      0.4338: real time      0.4355
    --------------------------------------------
      LOOP:  cpu time   3751.7896: real time   3765.7251

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7450352E-04  (-0.6439908E-04)
 number of electron      12.0000000 magnetization      -0.0000075
 augmentation part       -0.0013759 magnetization      -0.0000037

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.50830896
  -exchange      EXHF   =        26.42632853
  -V(xc)+E(xc)   XCENC  =       -66.91835488
  PAW double counting   =     82951.70406307   -82870.94117176
  entropy T*S    EENTRO =         0.00151063
  eigenvalues    EBANDS =       -53.06984303
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87570350 eV

  energy without entropy =      -10.87721414  energy(sigma->0) =      -10.87620705
  exchange ACFDT corr.  =         0.00006507  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5216: real time      0.5231
    SETDIJ:  cpu time      0.7966: real time      0.7983
    TRIAL :  cpu time   3756.0251: real time   3770.4021
    CORREC:  cpu time      0.0084: real time      0.0084
    CHARGE:  cpu time      0.4310: real time      0.4328
    --------------------------------------------
      LOOP:  cpu time   3757.7833: real time   3772.1652

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5764070E-04  (-0.4800403E-04)
 number of electron      12.0000000 magnetization      -0.0000071
 augmentation part       -0.0014502 magnetization      -0.0000033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.51230136
  -exchange      EXHF   =        26.42682075
  -V(xc)+E(xc)   XCENC  =       -66.91837563
  PAW double counting   =     83028.81931008   -82948.05652237
  entropy T*S    EENTRO =         0.00152890
  eigenvalues    EBANDS =       -53.06629774
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87576115 eV

  energy without entropy =      -10.87729005  energy(sigma->0) =      -10.87627078
  exchange ACFDT corr.  =         0.00006783  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5225: real time      0.5242
    SETDIJ:  cpu time      0.7952: real time      0.7969
    TRIAL :  cpu time   3748.5398: real time   3762.6333
    CORREC:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.4328: real time      0.4345
    --------------------------------------------
      LOOP:  cpu time   3750.2987: real time   3764.3973

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4387015E-04  (-0.3419862E-04)
 number of electron      12.0000000 magnetization      -0.0000068
 augmentation part       -0.0015544 magnetization      -0.0000029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.51568906
  -exchange      EXHF   =        26.42724733
  -V(xc)+E(xc)   XCENC  =       -66.91838579
  PAW double counting   =     82897.36246949   -82816.59971869
  entropy T*S    EENTRO =         0.00154437
  eigenvalues    EBANDS =       -53.06335170
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87580502 eV

  energy without entropy =      -10.87734938  energy(sigma->0) =      -10.87631980
  exchange ACFDT corr.  =         0.00006999  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5218: real time      0.5233
    SETDIJ:  cpu time      0.7955: real time      0.7972
    TRIAL :  cpu time   3752.6146: real time   3766.6932
    CORREC:  cpu time      0.0080: real time      0.0080
    CHARGE:  cpu time      0.4340: real time      0.4357
    --------------------------------------------
      LOOP:  cpu time   3754.3743: real time   3768.4578

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3154834E-04  (-0.2333390E-04)
 number of electron      12.0000000 magnetization      -0.0000064
 augmentation part       -0.0016568 magnetization      -0.0000025

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.51858238
  -exchange      EXHF   =        26.42760859
  -V(xc)+E(xc)   XCENC  =       -66.91839417
  PAW double counting   =     82695.50403777   -82614.74128857
  entropy T*S    EENTRO =         0.00155749
  eigenvalues    EBANDS =       -53.06085667
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87583656 eV

  energy without entropy =      -10.87739405  energy(sigma->0) =      -10.87635573
  exchange ACFDT corr.  =         0.00007124  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5208: real time      0.5223
    SETDIJ:  cpu time      0.7960: real time      0.7975
    TRIAL :  cpu time   3757.8499: real time   3773.0529
    CORREC:  cpu time      0.0085: real time      0.0085
    CHARGE:  cpu time      0.4322: real time      0.4339
    --------------------------------------------
      LOOP:  cpu time   3759.6078: real time   3774.8155

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2170299E-04  (-0.1550793E-04)
 number of electron      12.0000000 magnetization      -0.0000060
 augmentation part       -0.0017435 magnetization      -0.0000023

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.52085556
  -exchange      EXHF   =        26.42791403
  -V(xc)+E(xc)   XCENC  =       -66.91839862
  PAW double counting   =     82492.97734500   -82412.21459087
  entropy T*S    EENTRO =         0.00156862
  eigenvalues    EBANDS =       -53.05892423
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87585827 eV

  energy without entropy =      -10.87742689  energy(sigma->0) =      -10.87638114
  exchange ACFDT corr.  =         0.00007271  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5215: real time      0.5232
    SETDIJ:  cpu time      0.7948: real time      0.7979
    TRIAL :  cpu time   3762.0213: real time   3777.7927
    CORREC:  cpu time      0.0083: real time      0.0083
    CHARGE:  cpu time      0.4332: real time      0.4350
    --------------------------------------------
      LOOP:  cpu time   3763.7795: real time   3779.5575

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1457575E-04  (-0.1023794E-04)
 number of electron      12.0000000 magnetization      -0.0000056
 augmentation part       -0.0018112 magnetization      -0.0000020

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.52266407
  -exchange      EXHF   =        26.42817456
  -V(xc)+E(xc)   XCENC  =       -66.91839766
  PAW double counting   =     82320.61682860   -82239.85406328
  entropy T*S    EENTRO =         0.00157804
  eigenvalues    EBANDS =       -53.05741411
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87587284 eV

  energy without entropy =      -10.87745089  energy(sigma->0) =      -10.87639886
  exchange ACFDT corr.  =         0.00007391  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5224: real time      0.5242
    SETDIJ:  cpu time      0.7960: real time      0.7979
    TRIAL :  cpu time   3755.6599: real time   3771.4335
    CORREC:  cpu time      0.0083: real time      0.0083
    EDDIAG:  cpu time   3735.8054: real time   3751.5802
    CHARGE:  cpu time      0.4357: real time      0.4375
    --------------------------------------------
      LOOP:  cpu time   7493.2282: real time   7524.7821

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9731052E-05  (-0.6847326E-05)
 number of electron      12.0000000 magnetization      -0.0000053
 augmentation part       -0.0018611 magnetization      -0.0000018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       868.41904963
  -Hartree energ DENC   =     -1081.52428384
  -exchange      EXHF   =        26.42859121
  -V(xc)+E(xc)   XCENC  =       -66.91839283
  PAW double counting   =     82187.36238516   -82106.59960549
  entropy T*S    EENTRO =         0.00158601
  eigenvalues    EBANDS =       -53.05605672
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.87588257 eV

  energy without entropy =      -10.87746859  energy(sigma->0) =      -10.87641124
  exchange ACFDT corr.  =         0.00007490  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.1717


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -71.9657       2 -71.8922       3 -71.9227       4 -72.0474
 
 
 
 E-fermi :   1.0822     XC(G=0):  -3.8012     alpha+bet : -6.3116

 Fermi energy:         1.0822008234

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0003      1.00000
      2     -11.2629      1.00000
      3      -9.6833      1.00000
      4      -6.7878      1.00000
      5      -3.4567      1.00000
      6       0.4236      1.00001
      7       3.0421     -0.00000
      8       4.2674     -0.00000
      9       4.9446     -0.00000
     10       6.6008      0.00000
     11       6.9017      0.00000
     12       9.7209      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7601      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7581      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7598      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.3287      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.3287      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.3287      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02438
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02438
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02438
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02552
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0969      0.00000
     11       7.3809      0.00000
     12       7.7966      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02552
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0969      0.00000
     11       7.3809      0.00000
     12       7.7966      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02552
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0969      0.00000
     11       7.3809      0.00000
     12       7.7966      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1346     -0.00000
     11       7.1207      0.00000
     12       8.3477      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1346     -0.00000
     11       7.1207      0.00000
     12       8.3477      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1346     -0.00000
     11       7.1207      0.00000
     12       8.3477      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.6650      0.00000
     12       7.6332      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.6228      0.00000
     12       7.0505      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.5791      0.00000
     12       6.8914      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.5071      0.00000
     12       8.9763      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.5071      0.00000
     12       8.9525      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.5069      0.00000
     12       8.8602      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9474     -0.00000
     11       6.2975     -0.00000
     12       8.7408      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9474     -0.00000
     11       6.2975     -0.00000
     12       8.7406      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9474     -0.00000
     11       6.2975     -0.00000
     12       8.7369      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33618
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4436      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33621
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4505      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33621
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4381      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8127      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8127      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8127      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24559
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0731      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24560
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0744      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24561
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0712      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5810      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12      10.2805      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5810      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12      10.2815      0.00000

 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5810      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12      10.1987      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7872      1.02761
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8767      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4498      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4497      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4495      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4607      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4499      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49273
      7       3.6228     -0.00000
      8       4.8248     -0.00000
      9       5.4929     -0.00000
     10       7.1238      0.00000
     11       7.3846      0.00000
     12       8.4499      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7458      0.00000
     12       7.7838      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7463      0.00000
     12       7.7834      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7459      0.00000
     12       7.7839      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7459      0.00000
     12       7.7839      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7460      0.00000
     12       7.7839      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7458      0.00000
     12       7.7838      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2278     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3181     -0.00000
     11       6.3451     -0.00000
     12       7.8202      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7615      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7618      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7617      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7620      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7617      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0781     -0.00000
     11       6.1617     -0.00000
     12       7.7620      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03084
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03085
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03085
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03084
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03085
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03085
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7786      0.00000
     12       6.9853      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0715      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0715      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0715      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0715      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0363      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1611      1.00000
      5      -2.6045      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0394      0.69613
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0943      0.00000
     11       7.3657      0.00000
     12       9.2045      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0394      0.69613
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0943      0.00000
     11       7.3657      0.00000
     12       9.2045      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0394      0.69613
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0943      0.00000
     11       7.3657      0.00000
     12       9.2045      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02874
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2270      0.00000
     11       7.4541      0.00000
     12       8.1359      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2390      0.00000
     12       8.0767      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2391      0.00000
     12       8.0774      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2390      0.00000
     12       8.0768      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2389      0.00000
     12       8.0744      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2390      0.00000
     12       8.0762      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2095      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2500     -0.00000
     11       7.2390      0.00000
     12       8.0770      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.7202      0.00000
     12       7.0590      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9879     -0.00000
     11       6.7777      0.00000
     12       7.2606      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.7311      0.00000
     12       7.0769      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9878     -0.00000
     11       6.7647      0.00000
     12       7.1788      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9878     -0.00000
     11       6.7595      0.00000
     12       7.1535      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.7306      0.00000
     12       7.0778      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1534      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1530      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1534      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1530      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1534      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4695     -0.00000
     12       7.1534      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1561      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       7.0882      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01399
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       7.0705      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01398
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       7.0792      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01399
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       7.0833      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01399
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       7.1037      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01480
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01480
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01480
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01480
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1915      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92305
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92306
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92305
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7584     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0059     -0.00000
     10       6.7343      0.00000
     11       7.1665      0.00000
     12       8.0988      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7584     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0059     -0.00000
     10       6.7343      0.00000
     11       7.1665      0.00000
     12       8.0988      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7584     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0059     -0.00000
     10       6.7343      0.00000
     11       7.1666      0.00000
     12       8.0988      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2279     -0.00000
     11       6.5875      0.00000
     12       7.4083      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2279     -0.00000
     11       6.5875      0.00000
     12       7.4083      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2279     -0.00000
     11       6.5875      0.00000
     12       7.4086      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2278     -0.00000
     11       6.5875      0.00000
     12       7.4083      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2279     -0.00000
     11       6.5875      0.00000
     12       7.4084      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7952     -0.00000
     10       6.2279     -0.00000
     11       6.5875      0.00000
     12       7.4085      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8669      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9539      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2214     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2215     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2215     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2215     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2215     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2215     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9863      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9863      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9863      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26322
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26323
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26323
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26322
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26322
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26323
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2277     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84725
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84725
      7       1.6760     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84725
      7       1.6760     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84725
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84724
      7       1.6760     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84725
      7       1.6760     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0702      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0015     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0020     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0702      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0017     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0702      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0016     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0702      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0014     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0016     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1943     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8413     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2791      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8447     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8365     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1943     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8420     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8449     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2791      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8437     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24458
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1765     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24459
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1765     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24460
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24458
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1765     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24457
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1765     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24460
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97121
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97121
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0798      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96978
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96978
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96979
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96978
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96978
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96979
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35986
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35987
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35987
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85845
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6871     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85846
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6867     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85845
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6902     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0163      1.00000
      2      -2.9820      1.00000
      3      -2.9748      1.00000
      4      -1.5015      1.00000
      5      -1.1681      1.00000
      6      -1.1592      1.00000
      7       0.0611      1.00000
      8       0.0622      1.00000
      9       1.4287     -0.01730
     10       3.3276     -0.00000
     11       3.5788     -0.00000
     12       3.7870     -0.00000
 Fermi energy:         1.0822008234

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.0003      1.00000
      2     -11.2629      1.00000
      3      -9.6833      1.00000
      4      -6.7879      1.00000
      5      -3.4567      1.00000
      6       0.4236      1.00001
      7       3.0421     -0.00000
      8       4.2674     -0.00000
      9       4.9446     -0.00000
     10       6.6008      0.00000
     11       6.9017      0.00000
     12       9.7207      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7546      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7549      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9483      1.00000
      2     -11.2105      1.00000
      3      -9.6306      1.00000
      4      -6.7341      1.00000
      5      -3.4038      1.00000
      6       0.4763      1.00007
      7       3.0876     -0.00000
      8       4.3108     -0.00000
      9       4.9874     -0.00000
     10       6.6429      0.00000
     11       6.9431      0.00000
     12       9.7543      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.2904      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.2904      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7923      1.00000
      2     -11.0533      1.00000
      3      -9.4727      1.00000
      4      -6.5730      1.00000
      5      -3.2451      1.00000
      6       0.6329      1.00301
      7       3.2233     -0.00000
      8       4.4406     -0.00000
      9       5.1154     -0.00000
     10       6.7684      0.00000
     11       7.0653      0.00000
     12      10.2904      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02440
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02440
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5323      1.00000
      2     -10.7912      1.00000
      3      -9.2096      1.00000
      4      -6.3048      1.00000
      5      -2.9812      1.00000
      6       0.8887      1.02440
      7       3.4468     -0.00000
      8       4.6552     -0.00000
      9       5.3266     -0.00000
     10       6.9724      0.00000
     11       7.2572      0.00000
     12       9.1420      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02557
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0975      0.00000
     11       7.3809      0.00000
     12       8.0547      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02557
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0975      0.00000
     11       7.3809      0.00000
     12       8.0704      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1681      1.00000
      2     -10.4241      1.00000
      3      -8.8412      1.00000
      4      -5.9299      1.00000
      5      -2.6133      1.00000
      6       1.2360      0.02557
      7       3.7517     -0.00000
      8       4.9484     -0.00000
      9       5.6120     -0.00000
     10       7.0974      0.00000
     11       7.3810      0.00000
     12       8.0534      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1347     -0.00000
     11       7.1206      0.00000
     12       8.3345      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1347     -0.00000
     11       7.1206      0.00000
     12       8.3345      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6998      1.00000
      2      -9.9519      1.00000
      3      -8.3675      1.00000
      4      -5.4491      1.00000
      5      -2.1431      1.00000
      6       1.6607     -0.00019
      7       4.1070     -0.00000
      8       5.2162     -0.00000
      9       5.6743     -0.00000
     10       6.1347     -0.00000
     11       7.1206      0.00000
     12       8.3345      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.5150      0.00000
     12       6.8909      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.4896      0.00000
     12       6.9039      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1271      1.00000
      2      -9.3742      1.00000
      3      -7.7883      1.00000
      4      -4.8636      1.00000
      5      -1.5751      1.00000
      6       2.1079     -0.00000
      7       3.7878     -0.00000
      8       4.7672     -0.00000
      9       5.4834     -0.00000
     10       5.8786     -0.00000
     11       6.4666     -0.00000
     12       6.9075      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.4237     -0.00000
     12       8.7422      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.4176     -0.00000
     12       8.7430      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4498      1.00000
      2      -8.6907      1.00000
      3      -7.1036      1.00000
      4      -4.1762      1.00000
      5      -0.9242      1.00000
      6       1.8566     -0.00000
      7       3.0464     -0.00000
      8       3.9062     -0.00000
      9       5.0209     -0.00000
     10       5.5033     -0.00000
     11       6.4126     -0.00000
     12       8.4771      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9473     -0.00000
     11       6.2975     -0.00000
     12       8.7403      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9474     -0.00000
     11       6.2975     -0.00000
     12       8.7414      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6673      1.00000
      2      -7.9010      1.00000
      3      -6.3140      1.00000
      4      -3.3964      1.00000
      5      -0.3318      1.00000
      6       0.5579      1.00063
      7       2.2300     -0.00000
      8       3.5982     -0.00000
      9       3.7560     -0.00000
     10       5.9474     -0.00000
     11       6.2975     -0.00000
     12       8.7398      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33616
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4493      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33614
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4424      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7792      1.00000
      2      -7.0051      1.00000
      3      -5.4214      1.00000
      4      -2.5752      1.00000
      5      -1.2232      1.00000
      6       0.4270      1.00002
      7       1.1256      0.33614
      8       2.1696     -0.00000
      9       4.3633     -0.00000
     10       4.9489     -0.00000
     11       6.6327      0.00000
     12       8.4279      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7850      1.00000
      2      -6.0044      1.00000
      3      -4.4343      1.00000
      4      -2.8349      1.00000
      5      -1.6239      1.00000
      6      -0.6592      1.00000
      7       0.7541      1.02084
      8       1.8357     -0.00000
      9       3.5105     -0.00000
     10       5.2664     -0.00000
     11       6.3266     -0.00000
     12       8.2420      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8128      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8128      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6853      1.00000
      2      -4.9062      1.00000
      3      -4.1833      1.00000
      4      -3.3975      1.00000
      5      -2.3465      1.00000
      6      -0.8128      1.00000
      7      -0.0200      1.00000
      8       2.1921     -0.00000
      9       2.8617     -0.00000
     10       5.1211     -0.00000
     11       6.1583     -0.00000
     12       8.1165      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24558
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0688      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24558
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0744      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      1.00000
      2      -5.4680      1.00000
      3      -3.8060      1.00000
      4      -3.6380      1.00000
      5      -2.4207      1.00000
      6      -1.6377      1.00000
      7       0.8190      1.03436
      8       1.1482      0.24557
      9       3.7435     -0.00000
     10       4.1623     -0.00000
     11       6.8482      0.00000
     12       8.0745      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5809      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12       9.9111      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5809      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12       9.8977      0.00000

 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8443      1.00000
      2     -11.1057      1.00000
      3      -9.5254      1.00000
      4      -6.6267      1.00000
      5      -3.2979      1.00000
      6       0.5809      1.00100
      7       3.1782     -0.00000
      8       4.3974     -0.00000
      9       5.0728     -0.00000
     10       6.7267      0.00000
     11       7.0249      0.00000
     12       9.8981      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6363      1.00000
      2     -10.8961      1.00000
      3      -9.3149      1.00000
      4      -6.4120      1.00000
      5      -3.0867      1.00000
      6       0.7871      1.02760
      7       3.3579     -0.00000
      8       4.5697     -0.00000
      9       5.2426     -0.00000
     10       6.8924      0.00000
     11       7.1838      0.00000
     12       9.8768      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3242      1.00000
      2     -10.5815      1.00000
      3      -8.9991      1.00000
      4      -6.0905      1.00000
      5      -2.7708      1.00000
      6       1.0889      0.49285
      7       3.6228     -0.00000
      8       4.8247     -0.00000
      9       5.4929     -0.00000
     10       7.1237      0.00000
     11       7.3845      0.00000
     12       8.3886      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7166      0.00000
     12       7.7323      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7169      0.00000
     12       7.7325      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7170      0.00000
     12       7.7323      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7170      0.00000
     12       7.7323      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7166      0.00000
     12       7.7326      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.9080      1.00000
      2     -10.1618      1.00000
      3      -8.5780      1.00000
      4      -5.6627      1.00000
      5      -2.3516      1.00000
      6       1.4762     -0.00947
      7       3.9608     -0.00000
      8       5.1451     -0.00000
      9       5.7892     -0.00000
     10       6.5610      0.00000
     11       7.7169      0.00000
     12       7.7324      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6788      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6788      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6788      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6789      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6788      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3875      1.00000
      2      -9.6369      1.00000
      3      -8.0516      1.00000
      4      -5.1294      1.00000
      5      -1.8319      1.00000
      6       1.9254     -0.00000
      7       4.2277     -0.00000
      8       4.8920     -0.00000
      9       5.6768     -0.00000
     10       6.3043     -0.00000
     11       6.3456     -0.00000
     12       7.6788      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2550      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2553      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2553      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2551      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2552      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7625      1.00000
      2      -9.0063      1.00000
      3      -7.4196      1.00000
      4      -4.4926      1.00000
      5      -1.2195      1.00000
      6       2.2415     -0.00000
      7       3.2459     -0.00000
      8       4.6963     -0.00000
      9       5.0067     -0.00000
     10       6.0779     -0.00000
     11       6.1617     -0.00000
     12       7.2547      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03084
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03083
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03083
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03084
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03084
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0326      1.00000
      2      -8.2697      1.00000
      3      -6.6824      1.00000
      4      -3.7573      1.00000
      5      -0.5506      1.00000
      6       1.2298      0.03083
      7       2.9425     -0.00000
      8       3.5007     -0.00000
      9       4.4390     -0.00000
     10       5.6713     -0.00000
     11       6.7338      0.00000
     12       6.9941      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9371     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9371     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1973      1.00000
      2      -7.4268      1.00000
      3      -5.8409      1.00000
      4      -2.9429      1.00000
      5      -0.5459      1.00000
      6       0.4535      1.00004
      7       1.5645     -0.00181
      8       2.9372     -0.00000
      9       4.0583     -0.00000
     10       5.6133     -0.00000
     11       6.3017     -0.00000
     12       7.4604      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2562      1.00000
      2      -6.4782      1.00000
      3      -4.8993      1.00000
      4      -2.3198      1.00000
      5      -1.6880      1.00000
      6      -0.0716      1.00000
      7       1.3927     -0.02573
      8       1.5228     -0.00416
      9       4.1680     -0.00000
     10       4.9035     -0.00000
     11       6.8296      0.00000
     12       7.0364      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4613      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4614      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.2090      1.00000
      2      -5.4269      1.00000
      3      -3.8793      1.00000
      4      -3.4613      1.00000
      5      -1.7663      1.00000
      6      -0.7074      1.00000
      7       0.1764      1.00000
      8       2.3321     -0.00000
      9       2.9113     -0.00000
     10       5.6277     -0.00000
     11       5.8135     -0.00000
     12       7.1186      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0574      1.00000
      2      -4.8087      1.00000
      3      -4.2798      1.00000
      4      -3.1612      1.00000
      5      -2.6046      1.00000
      6      -1.2732      1.00000
      7       0.4421      1.00003
      8       1.6311     -0.00038
      9       3.3950     -0.00000
     10       4.5886     -0.00000
     11       6.5154     -0.00000
     12       6.9973      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0393      0.69625
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0935      0.00000
     11       7.3660      0.00000
     12       9.2030      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0393      0.69625
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0935      0.00000
     11       7.3661      0.00000
     12       9.2022      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3762      1.00000
      2     -10.6339      1.00000
      3      -9.0517      1.00000
      4      -6.1440      1.00000
      5      -2.8233      1.00000
      6       1.0393      0.69625
      7       3.5794     -0.00000
      8       4.7830     -0.00000
      9       5.4523     -0.00000
     10       7.0935      0.00000
     11       7.3660      0.00000
     12       9.2019      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.0120      1.00000
      2     -10.2668      1.00000
      3      -8.6833      1.00000
      4      -5.7695      1.00000
      5      -2.4561      1.00000
      6       1.3820     -0.02875
      7       3.8813     -0.00000
      8       5.0740     -0.00000
      9       5.7349     -0.00000
     10       7.2269      0.00000
     11       7.4541      0.00000
     12       8.1371      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7962     -0.00000
     10       6.2498     -0.00000
     11       7.2200      0.00000
     12       7.8460      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7962     -0.00000
     10       6.2498     -0.00000
     11       7.2200      0.00000
     12       7.8915      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2499     -0.00000
     11       7.2208      0.00000
     12       8.0229      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7962     -0.00000
     10       6.2498     -0.00000
     11       7.2199      0.00000
     12       7.8288      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7962     -0.00000
     10       6.2499     -0.00000
     11       7.2209      0.00000
     12       7.9961      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5437      1.00000
      2      -9.7944      1.00000
      3      -8.2096      1.00000
      4      -5.2892      1.00000
      5      -1.9869      1.00000
      6       1.8013     -0.00000
      7       4.2328     -0.00000
      8       5.3414     -0.00000
      9       5.7963     -0.00000
     10       6.2499     -0.00000
     11       7.2274      0.00000
     12       8.0662      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9709      1.00000
      2      -9.2166      1.00000
      3      -7.6303      1.00000
      4      -4.7043      1.00000
      5      -1.4204      1.00000
      6       2.2435     -0.00000
      7       3.9215     -0.00000
      8       4.8826     -0.00000
      9       5.6044     -0.00000
     10       5.9877     -0.00000
     11       6.6378      0.00000
     12       7.0115      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0850      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0851      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0847      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0851      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0859      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2934      1.00000
      2      -8.5329      1.00000
      3      -6.9457      1.00000
      4      -4.0181      1.00000
      5      -0.7717      1.00000
      6       2.0008     -0.00000
      7       3.1709     -0.00000
      8       4.0326     -0.00000
      9       5.1413     -0.00000
     10       5.5921     -0.00000
     11       6.4362     -0.00000
     12       7.0851      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.5108      1.00000
      2      -7.7431      1.00000
      3      -6.1562      1.00000
      4      -3.2401      1.00000
      5      -0.1819      1.00000
      6       0.7068      1.01132
      7       2.3724     -0.00000
      8       3.7176     -0.00000
      9       3.8639     -0.00000
     10       5.9079     -0.00000
     11       6.1889     -0.00000
     12       6.6897      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01399
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01399
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6225      1.00000
      2      -6.8472      1.00000
      3      -5.2640      1.00000
      4      -2.4224      1.00000
      5      -1.0694      1.00000
      6       0.5750      1.00099
      7       1.2691     -0.01400
      8       2.3097     -0.00000
      9       4.3996     -0.00000
     10       5.0330     -0.00000
     11       6.0377     -0.00000
     12       6.8339      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6281      1.00000
      2      -5.8467      1.00000
      3      -4.2777      1.00000
      4      -2.6817      1.00000
      5      -1.4714      1.00000
      6      -0.5076      1.00000
      7       0.8997      1.01481
      8       1.9719     -0.00000
      9       3.6039     -0.00000
     10       5.2076     -0.00000
     11       5.8905     -0.00000
     12       6.5307     -0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1250      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1250      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5283      1.00000
      2      -4.7493      1.00000
      3      -4.0272      1.00000
      4      -3.2434      1.00000
      5      -2.1916      1.00000
      6      -0.6608      1.00000
      7       0.1249      1.00000
      8       2.3079     -0.00000
      9       2.9917     -0.00000
     10       5.1631     -0.00000
     11       5.5547     -0.00000
     12       6.4440     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92306
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92305
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3405      1.00000
      2      -5.3120      1.00000
      3      -3.6519      1.00000
      4      -3.4802      1.00000
      5      -2.2698      1.00000
      6      -1.4798      1.00000
      7       0.9606      0.92306
      8       1.2743     -0.01882
      9       3.8408     -0.00000
     10       4.2888     -0.00000
     11       5.5405     -0.00000
     12       6.8219      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7583     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0054     -0.00000
     10       6.7335      0.00000
     11       6.9839      0.00000
     12       8.0894      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7583     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0054     -0.00000
     10       6.7335      0.00000
     11       6.9841      0.00000
     12       8.0896      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5957      1.00000
      2      -9.8469      1.00000
      3      -8.2622      1.00000
      4      -5.3425      1.00000
      5      -2.0387      1.00000
      6       1.7583     -0.00001
      7       4.2082     -0.00000
      8       5.3804     -0.00000
      9       6.0053     -0.00000
     10       6.7335      0.00000
     11       6.9797      0.00000
     12       8.0875      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5915      0.00000
     12       7.3492      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5914      0.00000
     12       7.3474      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5915      0.00000
     12       7.3491      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5915      0.00000
     12       7.3494      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5915      0.00000
     12       7.3494      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0751      1.00000
      2      -9.3217      1.00000
      3      -7.7357      1.00000
      4      -4.8104      1.00000
      5      -1.5218      1.00000
      6       2.1942     -0.00000
      7       4.4652     -0.00000
      8       5.1286     -0.00000
      9       5.7944     -0.00000
     10       6.2195     -0.00000
     11       6.5915      0.00000
     12       7.3492      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8634      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8633      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8633      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8633      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8634      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4499      1.00000
      2      -8.6909      1.00000
      3      -7.1037      1.00000
      4      -4.1754      1.00000
      5      -0.9135      1.00000
      6       2.5083     -0.00000
      7       3.4971     -0.00000
      8       4.8866     -0.00000
      9       5.1627     -0.00000
     10       5.6887     -0.00000
     11       6.2658     -0.00000
     12       6.8633      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6768     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6768     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7197      1.00000
      2      -7.9540      1.00000
      3      -6.3666      1.00000
      4      -3.4433      1.00000
      5      -0.2507      1.00000
      6       1.5225     -0.00411
      7       3.2137     -0.00000
      8       3.6640     -0.00000
      9       4.6769     -0.00000
     10       5.0680     -0.00000
     11       5.9908     -0.00000
     12       6.6530      0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8840      1.00000
      2      -7.1109      1.00000
      3      -5.5256      1.00000
      4      -2.6341      1.00000
      5      -0.2445      1.00000
      6       0.7445      1.01877
      7       1.8514     -0.00000
      8       3.2032     -0.00000
      9       4.0071     -0.00000
     10       4.9108     -0.00000
     11       5.7722     -0.00000
     12       6.6368      0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9425      1.00000
      2      -6.1624      1.00000
      3      -4.5853      1.00000
      4      -2.0195      1.00000
      5      -1.3781      1.00000
      6       0.2257      1.00000
      7       1.6617     -0.00017
      8       1.8086     -0.00000
      9       3.9390     -0.00000
     10       4.7023     -0.00000
     11       5.2951     -0.00000
     12       6.2948     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8951      1.00000
      2      -5.1120      1.00000
      3      -3.5680      1.00000
      4      -3.1522      1.00000
      5      -1.4606      1.00000
      6      -0.4115      1.00000
      7       0.4679      1.00006
      8       2.5513     -0.00000
      9       3.0939     -0.00000
     10       4.2560     -0.00000
     11       5.6192     -0.00000
     12       6.2217     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7437      1.00000
      2      -4.4967      1.00000
      3      -3.9663      1.00000
      4      -2.8532      1.00000
      5      -2.2961      1.00000
      6      -0.9651      1.00000
      7       0.7151      1.01296
      8       1.8553     -0.00000
      9       3.5303     -0.00000
     10       4.2156     -0.00000
     11       4.8855     -0.00000
     12       5.9112     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9834      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9834      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.5020      1.00000
      2      -8.7435      1.00000
      3      -7.1564      1.00000
      4      -4.2280      1.00000
      5      -0.9617      1.00000
      6       2.5959     -0.00000
      7       4.1534     -0.00000
      8       4.5183     -0.00000
      9       5.3818     -0.00000
     10       5.8566     -0.00000
     11       6.1323     -0.00000
     12       6.9834      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8241      1.00000
      2      -8.0594      1.00000
      3      -6.4718      1.00000
      4      -3.5459      1.00000
      5      -0.3234      1.00000
      6       2.4135     -0.00000
      7       3.3003     -0.00000
      8       4.0212     -0.00000
      9       4.5082     -0.00000
     10       5.3431     -0.00000
     11       5.7062     -0.00000
     12       6.0414     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26320
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26319
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26319
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26320
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26319
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0409      1.00000
      2      -7.2692      1.00000
      3      -5.6829      1.00000
      4      -2.7750      1.00000
      5       0.2539      1.00000
      6       1.1429      0.26319
      7       2.7879     -0.00000
      8       3.1722     -0.00000
      9       4.1139     -0.00000
     10       4.4103     -0.00000
     11       5.2402     -0.00000
     12       6.2278     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1520      1.00000
      2      -6.3732      1.00000
      3      -4.7923      1.00000
      4      -1.9690      1.00000
      5      -0.6135      1.00000
      6       0.9904      0.84728
      7       1.6761     -0.00012
      8       2.6981     -0.00000
      9       2.9598     -0.00000
     10       4.5654     -0.00000
     11       5.1521     -0.00000
     12       5.7641     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0022     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0022     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0029     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0021     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0018     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1572      1.00000
      2      -5.3735      1.00000
      3      -3.8094      1.00000
      4      -2.2229      1.00000
      5      -1.0215      1.00000
      6      -0.0703      1.00000
      7       1.3161     -0.03476
      8       2.1971     -0.00000
      9       2.8637     -0.00000
     10       3.9861     -0.00000
     11       4.7957     -0.00000
     12       6.0043     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8367     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8362     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1943     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8426     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1943     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8455     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8432     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0575      1.00000
      2      -4.2792      1.00000
      3      -3.5596      1.00000
      4      -2.7828      1.00000
      5      -1.7285      1.00000
      6      -0.2157      1.00000
      7       0.5196      1.00025
      8       2.1942     -0.00000
      9       3.0394     -0.00000
     10       3.5367     -0.00000
     11       4.5453     -0.00000
     12       5.8380     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8699      1.00000
      2      -4.8435      1.00000
      3      -3.1910      1.00000
      4      -3.0074      1.00000
      5      -1.8190      1.00000
      6      -1.0142      1.00000
      7       1.3413     -0.03478
      8       1.4684     -0.01041
      9       2.7658     -0.00000
     10       4.2412     -0.00000
     11       4.4353     -0.00000
     12       5.0000     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0932      1.00000
      2      -7.3219      1.00000
      3      -5.7354      1.00000
      4      -2.8232      1.00000
      5       0.3029      1.00000
      6       1.9754     -0.00000
      7       2.2438     -0.00000
      8       3.7021     -0.00000
      9       3.8421     -0.00000
     10       4.5023     -0.00000
     11       5.1253     -0.00000
     12       5.6004     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24459
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24459
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24458
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24459
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24459
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2568      1.00000
      2      -6.4787      1.00000
      3      -4.8963      1.00000
      4      -2.0300      1.00000
      5       0.3329      1.00000
      6       1.1469      0.24458
      7       1.9137     -0.00000
      8       2.4045     -0.00000
      9       3.3318     -0.00000
     10       3.8803     -0.00000
     11       4.9993     -0.00000
     12       5.1764     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.3145      1.00000
      2      -5.5310      1.00000
      3      -3.9599      1.00000
      4      -1.4262      1.00000
      5      -0.7849      1.00000
      6       0.7317      1.01616
      7       1.3769     -0.02907
      8       2.1965     -0.00000
      9       2.4510     -0.00000
     10       3.3313     -0.00000
     11       4.6787     -0.00000
     12       5.3518     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9499      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01305
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01305
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01304
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2670      1.00000
      2      -4.4832      1.00000
      3      -2.9498      1.00000
      4      -2.5355      1.00000
      5      -0.8552      1.00000
      6       0.0797      1.00000
      7       0.9376      0.97122
      8       1.2649     -0.01305
      9       2.8772     -0.00000
     10       3.3906     -0.00000
     11       4.0252     -0.00000
     12       4.7038     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2409      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2409      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.1167      1.00000
      2      -3.8741      1.00000
      3      -3.3417      1.00000
      4      -2.2408      1.00000
      5      -1.6855      1.00000
      6      -0.3695      1.00000
      7       0.7545      1.02070
      8       1.3723     -0.02990
      9       2.5219     -0.00000
     10       3.2909     -0.00000
     11       4.3607     -0.00000
     12       4.5496     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3670      1.00000
      2      -5.5835      1.00000
      3      -4.0106      1.00000
      4      -1.2727      1.00000
      5      -0.0128      1.00000
      6       0.2624      1.00000
      7       1.6388     -0.00030
      8       2.0776     -0.00000
      9       2.5334     -0.00000
     10       3.1955     -0.00000
     11       3.9477     -0.00000
     12       5.6939     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3718      1.00000
      2      -4.5866      1.00000
      3      -3.0371      1.00000
      4      -1.4631      1.00000
      5      -0.5048      1.00000
      6      -0.0299      1.00000
      7       0.7091      1.01197
      8       1.5397     -0.00291
      9       2.2875     -0.00000
     10       3.2565     -0.00000
     11       3.4325     -0.00000
     12       5.0016     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96981
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96980
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96980
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96981
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96980
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2730      1.00000
      2      -3.4996      1.00000
      3      -2.7836      1.00000
      4      -2.0284      1.00000
      5      -0.9708      1.00000
      6      -0.4080      1.00000
      7       0.5097      1.00019
      8       0.9375      0.96980
      9       2.0485     -0.00000
     10       3.1716     -0.00000
     11       3.8514     -0.00000
     12       4.2337     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35997
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35996
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0884      1.00000
      2      -4.0631      1.00000
      3      -2.4317      1.00000
      4      -2.2252      1.00000
      5      -1.0880      1.00000
      6      -0.4391      1.00000
      7      -0.2671      1.00000
      8       1.1172      0.35996
      9       2.4867     -0.00000
     10       2.7185     -0.00000
     11       3.3835     -0.00000
     12       5.0654     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85851
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6863     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85850
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6866     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3252      1.00000
      2      -3.5471      1.00000
      3      -2.0558      1.00000
      4      -1.6344      1.00000
      5      -1.6016      1.00000
      6      -0.0783      1.00000
      7       0.2163      1.00000
      8       0.9866      0.85851
      9       2.0237     -0.00000
     10       2.4112     -0.00000
     11       4.1345     -0.00000
     12       4.6856     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1786      1.00000
      2      -2.9455      1.00000
      3      -2.4223      1.00000
      4      -1.7167      1.00000
      5      -1.3459      1.00000
      6      -0.8249      1.00000
      7       0.0635      1.00000
      8       0.4115      1.00001
      9       1.9782     -0.00000
     10       2.5918     -0.00000
     11       3.6297     -0.00000
     12       4.7028     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0163      1.00000
      2      -2.9820      1.00000
      3      -2.9748      1.00000
      4      -1.5015      1.00000
      5      -1.1681      1.00000
      6      -1.1592      1.00000
      7       0.0611      1.00000
      8       0.0622      1.00000
      9       1.4287     -0.01730
     10       3.3276     -0.00000
     11       3.5788     -0.00000
     12       3.7870     -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
  8.137  13.894  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.894  23.717  -0.000  -0.004  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.004   0.000   1.878   0.000   0.000   5.476   0.000
 -0.000  -0.000   0.000   0.000   1.877   0.000   0.000   5.473
 -0.000  -0.000   5.473   0.000   0.000  15.813   0.000   0.000
 -0.006  -0.010   0.000   5.476   0.000   0.000  15.821   0.000
 -0.000  -0.000   0.000   0.000   5.473   0.000   0.000  15.813
 pseudopotential strength for first ion, spin component:           2
  8.137  13.894  -0.000  -0.002  -0.000  -0.000  -0.006   0.000
 13.894  23.717  -0.000  -0.004  -0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.004   0.000   1.878   0.000   0.000   5.476   0.000
 -0.000  -0.000   0.000   0.000   1.877   0.000   0.000   5.473
 -0.000  -0.000   5.473   0.000   0.000  15.813   0.000   0.000
 -0.006  -0.010   0.000   5.476   0.000   0.000  15.821   0.000
  0.000   0.000   0.000   0.000   5.473   0.000   0.000  15.813
 total augmentation occupancy for first ion, spin component:           1
116.295 -62.110  -0.000  -0.085  -0.000   0.000  -0.022   0.000
-62.110  33.172   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.107  -0.000  -0.000  -0.327   0.000   0.000
 -0.085   0.035  -0.000   1.681   0.000   0.000  -0.258  -0.000
 -0.000   0.000  -0.000   0.000   2.107   0.000  -0.000  -0.327
  0.000  -0.000  -0.327   0.000   0.000   0.051  -0.000  -0.000
 -0.022   0.014   0.000  -0.258  -0.000  -0.000   0.040  -0.000
  0.000  -0.000   0.000  -0.000  -0.327  -0.000  -0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
 -0.004   0.002  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.002  -0.001   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -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 ----------------------------------------


    FORLOC:  cpu time      0.0011: real time      0.0011
    FORHF :  cpu time   2978.5088: real time   2990.6935
    FORNL :  cpu time      0.4234: real time      0.4265
    FORCOR:  cpu time      1.3158: real time      1.3200
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.247E-05 0.660E-05 0.200E+03   0.443E-13 0.270E-13 -.199E+03   0.276E-05 -.791E-05 -.123E+01
   0.112E-05 -.113E-05 0.667E+02   -.180E-12 -.106E-12 -.664E+02   -.130E-05 0.157E-05 -.612E+00
   -.194E-06 -.954E-06 -.720E+02   0.161E-12 0.899E-13 0.712E+02   0.283E-06 0.736E-06 0.157E+01
   0.230E-05 -.404E-05 -.194E+03   -.250E-13 -.141E-13 0.194E+03   -.222E-05 0.463E-05 0.187E+00
 -----------------------------------------------------------------------------------------------
   0.912E-06 0.586E-06 0.807E-01   0.466E-15 -.363E-14 0.000E+00   -.484E-06 -.977E-06 -.802E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000001     -0.000001     -0.081359
      1.42873      0.82488      2.33311        -0.000001     -0.000000     -0.359627
      2.85746      1.64976      4.51621         0.000000     -0.000000      0.797987
      0.00000      0.00000      7.09932         0.000000      0.000001     -0.357001
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.000337


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.87588257 eV

  energy  without entropy=      -10.87746859  energy(sigma->0) =      -10.87641124
 


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


    POTLOK:  cpu time      1.3152: real time      1.3187


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


 writing wavefunctions
     LOOP+:  cpu time  97366.5070: real time  97743.4507
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0   118921. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        483. kBytes
   wavefun   :      63141. kBytes
   fock_wrk  :       2613. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    97377.023
                            User time (sec):    90594.917
                          System time (sec):     6782.103
                         Elapsed time (sec):    97754.575
  
                   Maximum memory used (kb):      390980.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       487707
                          Major page faults:            0
                 Voluntary context switches:          794
