! Pwscf input file created with ciftopw.py 
! Compound: CaAsPt
&control
         calculation     = 'bands'
         prefix          = 'CaAsPt'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           41.6774182839732106
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.9820137018631154
         celldm(5)       =           -0.9820137018631154
         celldm(6)       =            0.9640274037262306
         nat             =       18
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      433.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Pt 195.0840 Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
291
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.00925926 1.0 
      0.00000000      -0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000      -0.00000000       0.03703704 1.0 
      0.00000000      -0.00000000       0.04629630 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.06481481 1.0 
      0.00000000      -0.00000000       0.07407407 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000      -0.00000000       0.09259259 1.0 
      0.00000000      -0.00000000       0.10185185 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000      -0.00000000       0.12037037 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000      -0.00000000       0.13888889 1.0 
      0.00000000      -0.00000000       0.14814815 1.0 
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      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.17592593 1.0 
      0.00000000      -0.00000000       0.18518519 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000      -0.00000000       0.20370370 1.0 
      0.00000000       0.00000000       0.21296296 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.23148148 1.0 
      0.00000000      -0.00000000       0.24074074 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.25925926 1.0 
     -0.00000000       0.00000000       0.26851852 1.0 
      0.00000000      -0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.28703704 1.0 
      0.00000000      -0.00000000       0.29629630 1.0 
      0.00000000      -0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.31481481 1.0 
      0.00000000       0.00000000       0.32407407 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
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      0.00000000      -0.00000000       0.35185185 1.0 
      0.00000000      -0.00000000       0.36111111 1.0 
      0.00000000      -0.00000000       0.37037037 1.0 
      0.00000000       0.00000000       0.37962963 1.0 
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     -0.00000000       0.00000000       0.39814815 1.0 
      0.00000000      -0.00000000       0.40740741 1.0 
      0.00000000      -0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.42592593 1.0 
      0.00000000       0.00000000       0.43518519 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.45370370 1.0 
      0.00000000       0.00000000       0.46296296 1.0 
      0.00000000      -0.00000000       0.47222222 1.0 
      0.00000000      -0.00000000       0.48148148 1.0 
      0.00000000      -0.00000000       0.49074074 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00457893       0.00457893       0.50000000 1.0 
     -0.00457893       0.00457893       0.50000000 1.0 
     -0.01109763       0.01109763       0.49348130 1.0 
     -0.01761633       0.01761633       0.48696260 1.0 
     -0.02413503       0.02413503       0.48044391 1.0 
     -0.03065373       0.03065373       0.47392521 1.0 
     -0.03717242       0.03717242       0.46740651 1.0 
     -0.04369112       0.04369112       0.46088781 1.0 
     -0.05020982       0.05020982       0.45436911 1.0 
     -0.05672852       0.05672852       0.44785041 1.0 
     -0.06324722       0.06324722       0.44133172 1.0 
     -0.06976592       0.06976592       0.43481302 1.0 
     -0.07628461       0.07628461       0.42829432 1.0 
     -0.08280331       0.08280331       0.42177562 1.0 
     -0.08932201       0.08932201       0.41525692 1.0 
     -0.09584071       0.09584071       0.40873822 1.0 
     -0.10235941       0.10235941       0.40221953 1.0 
     -0.10887810       0.10887810       0.39570083 1.0 
     -0.11539680       0.11539680       0.38918213 1.0 
     -0.12191550       0.12191550       0.38266343 1.0 
     -0.12843420       0.12843420       0.37614473 1.0 
     -0.13495290       0.13495290       0.36962603 1.0 
     -0.14147160       0.14147160       0.36310734 1.0 
     -0.14799029       0.14799029       0.35658864 1.0 
     -0.15450899       0.15450899       0.35006994 1.0 
     -0.16102769       0.16102769       0.34355124 1.0 
     -0.16754639       0.16754639       0.33703254 1.0 
     -0.17406509       0.17406509       0.33051385 1.0 
     -0.18058379       0.18058379       0.32399515 1.0 
     -0.18710248       0.18710248       0.31747645 1.0 
     -0.19362118       0.19362118       0.31095775 1.0 
     -0.20013988       0.20013988       0.30443905 1.0 
     -0.20665858       0.20665858       0.29792035 1.0 
     -0.21317728       0.21317728       0.29140166 1.0 
     -0.21969598       0.21969598       0.28488296 1.0 
     -0.22621467       0.22621467       0.27836426 1.0 
     -0.23273337       0.23273337       0.27184556 1.0 
     -0.23925207       0.23925207       0.26532686 1.0 
     -0.24577077       0.24577077       0.25880816 1.0 
     -0.25228947       0.25228947       0.25228947 1.0 
     -0.25228947       0.25228947       0.25228947 1.0 
     -0.24565027       0.24565027       0.24565027 1.0 
     -0.23901107       0.23901107       0.23901107 1.0 
     -0.23237188       0.23237188       0.23237188 1.0 
     -0.22573268       0.22573268       0.22573268 1.0 
     -0.21909348       0.21909348       0.21909348 1.0 
     -0.21245429       0.21245429       0.21245429 1.0 
     -0.20581509       0.20581509       0.20581509 1.0 
     -0.19917589       0.19917589       0.19917589 1.0 
     -0.19253670       0.19253670       0.19253670 1.0 
     -0.18589750       0.18589750       0.18589750 1.0 
     -0.17925830       0.17925830       0.17925830 1.0 
     -0.17261911       0.17261911       0.17261911 1.0 
     -0.16597991       0.16597991       0.16597991 1.0 
     -0.15934072       0.15934072       0.15934072 1.0 
     -0.15270152       0.15270152       0.15270152 1.0 
     -0.14606232       0.14606232       0.14606232 1.0 
     -0.13942313       0.13942313       0.13942313 1.0 
     -0.13278393       0.13278393       0.13278393 1.0 
     -0.12614473       0.12614473       0.12614473 1.0 
     -0.11950554       0.11950554       0.11950554 1.0 
     -0.11286634       0.11286634       0.11286634 1.0 
     -0.10622714       0.10622714       0.10622714 1.0 
     -0.09958795       0.09958795       0.09958795 1.0 
     -0.09294875       0.09294875       0.09294875 1.0 
     -0.08630955       0.08630955       0.08630955 1.0 
     -0.07967036       0.07967036       0.07967036 1.0 
     -0.07303116       0.07303116       0.07303116 1.0 
     -0.06639196       0.06639196       0.06639196 1.0 
     -0.05975277       0.05975277       0.05975277 1.0 
     -0.05311357       0.05311357       0.05311357 1.0 
     -0.04647438       0.04647438       0.04647438 1.0 
     -0.03983518       0.03983518       0.03983518 1.0 
     -0.03319598       0.03319598       0.03319598 1.0 
     -0.02655679       0.02655679       0.02655679 1.0 
     -0.01991759       0.01991759       0.01991759 1.0 
     -0.01327839       0.01327839       0.01327839 1.0 
     -0.00663920       0.00663920       0.00663920 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49348130       0.50651870      -0.49348130 1.0 
      0.48696260       0.51303740      -0.48696260 1.0 
      0.48044391       0.51955609      -0.48044391 1.0 
      0.47392521       0.52607479      -0.47392521 1.0 
      0.46740651       0.53259349      -0.46740651 1.0 
      0.46088781       0.53911219      -0.46088781 1.0 
      0.45436911       0.54563089      -0.45436911 1.0 
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      0.43481302       0.56518698      -0.43481302 1.0 
      0.42829432       0.57170568      -0.42829432 1.0 
      0.42177562       0.57822438      -0.42177562 1.0 
      0.41525692       0.58474308      -0.41525692 1.0 
      0.40873822       0.59126178      -0.40873822 1.0 
      0.40221953       0.59778047      -0.40221953 1.0 
      0.39570083       0.60429917      -0.39570083 1.0 
      0.38918213       0.61081787      -0.38918213 1.0 
      0.38266343       0.61733657      -0.38266343 1.0 
      0.37614473       0.62385527      -0.37614473 1.0 
      0.36962603       0.63037397      -0.36962603 1.0 
      0.36310734       0.63689266      -0.36310734 1.0 
      0.35658864       0.64341136      -0.35658864 1.0 
      0.35006994       0.64993006      -0.35006994 1.0 
      0.34355124       0.65644876      -0.34355124 1.0 
      0.33703254       0.66296746      -0.33703254 1.0 
      0.33051385       0.66948615      -0.33051385 1.0 
      0.32399515       0.67600485      -0.32399515 1.0 
      0.31747645       0.68252355      -0.31747645 1.0 
      0.31095775       0.68904225      -0.31095775 1.0 
      0.30443905       0.69556095      -0.30443905 1.0 
      0.29792035       0.70207965      -0.29792035 1.0 
      0.29140166       0.70859834      -0.29140166 1.0 
      0.28488296       0.71511704      -0.28488296 1.0 
      0.27836426       0.72163574      -0.27836426 1.0 
      0.27184556       0.72815444      -0.27184556 1.0 
      0.26532686       0.73467314      -0.26532686 1.0 
      0.25880816       0.74119184      -0.25880816 1.0 
      0.25228947       0.74771053      -0.25228947 1.0 
      0.25228947       0.74771053      -0.25228947 1.0 
      0.18921710       0.68578290      -0.18921710 1.0 
      0.12614473       0.62385527      -0.12614473 1.0 
      0.06307237       0.56192763      -0.06307237 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00657895       0.49342105       0.00657895 1.0 
      0.01315789       0.48684211       0.01315789 1.0 
      0.01973684       0.48026316       0.01973684 1.0 
      0.02631579       0.47368421       0.02631579 1.0 
      0.03289474       0.46710526       0.03289474 1.0 
      0.03947368       0.46052632       0.03947368 1.0 
      0.04605263       0.45394737       0.04605263 1.0 
      0.05263158       0.44736842       0.05263158 1.0 
      0.05921053       0.44078947       0.05921053 1.0 
      0.06578947       0.43421053       0.06578947 1.0 
      0.07236842       0.42763158       0.07236842 1.0 
      0.07894737       0.42105263       0.07894737 1.0 
      0.08552632       0.41447368       0.08552632 1.0 
      0.09210526       0.40789474       0.09210526 1.0 
      0.09868421       0.40131579       0.09868421 1.0 
      0.10526316       0.39473684       0.10526316 1.0 
      0.11184211       0.38815789       0.11184211 1.0 
      0.11842105       0.38157895       0.11842105 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13157895       0.36842105       0.13157895 1.0 
      0.13815789       0.36184211       0.13815789 1.0 
      0.14473684       0.35526316       0.14473684 1.0 
      0.15131579       0.34868421       0.15131579 1.0 
      0.15789474       0.34210526       0.15789474 1.0 
      0.16447368       0.33552632       0.16447368 1.0 
      0.17105263       0.32894737       0.17105263 1.0 
      0.17763158       0.32236842       0.17763158 1.0 
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      0.12500000       0.12500000       0.37500000 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

