! Pwscf input file created with ciftopw.py 
! Compound: Ca5Pt3
&control
         calculation     = 'bands'
         prefix          = 'Ca5Pt3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.3792196863425978
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.1101387168758782
         celldm(5)       =           -0.1101387168758782
         celldm(6)       =           -0.7797225662482434
         nat             =       16
         ntyp            =        2
         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
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
212
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.02500000 1.0 
     -0.00000000      -0.00000000       0.05000000 1.0 
     -0.00000000      -0.00000000       0.07500000 1.0 
     -0.00000000      -0.00000000       0.10000000 1.0 
     -0.00000000      -0.00000000       0.12500000 1.0 
     -0.00000000      -0.00000000       0.15000000 1.0 
     -0.00000000      -0.00000000       0.17500000 1.0 
     -0.00000000      -0.00000000       0.20000000 1.0 
     -0.00000000      -0.00000000       0.22500000 1.0 
     -0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.27500000 1.0 
     -0.00000000      -0.00000000       0.30000000 1.0 
     -0.00000000      -0.00000000       0.32500000 1.0 
     -0.00000000      -0.00000000       0.35000000 1.0 
     -0.00000000      -0.00000000       0.37500000 1.0 
     -0.00000000      -0.00000000       0.40000000 1.0 
     -0.00000000      -0.00000000       0.42500000 1.0 
     -0.00000000      -0.00000000       0.45000000 1.0 
     -0.00000000      -0.00000000       0.47500000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.02500000       0.02500000       0.50000000 1.0 
     -0.05000000       0.05000000       0.50000000 1.0 
     -0.07500000       0.07500000       0.50000000 1.0 
     -0.10000000       0.10000000       0.50000000 1.0 
     -0.12500000       0.12500000       0.50000000 1.0 
     -0.15000000       0.15000000       0.50000000 1.0 
     -0.17500000       0.17500000       0.50000000 1.0 
     -0.20000000       0.20000000       0.50000000 1.0 
     -0.22500000       0.22500000       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.27500000       0.27500000       0.50000000 1.0 
     -0.30000000       0.30000000       0.50000000 1.0 
     -0.32500000       0.32500000       0.50000000 1.0 
     -0.35000000       0.35000000       0.50000000 1.0 
     -0.37500000       0.37500000       0.50000000 1.0 
     -0.40000000       0.40000000       0.50000000 1.0 
     -0.42500000       0.42500000       0.50000000 1.0 
     -0.45000000       0.45000000       0.50000000 1.0 
     -0.47500000       0.47500000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.48214286       0.48214286       0.48214286 1.0 
     -0.46428571       0.46428571       0.46428571 1.0 
     -0.44642857       0.44642857       0.44642857 1.0 
     -0.42857143       0.42857143       0.42857143 1.0 
     -0.41071429       0.41071429       0.41071429 1.0 
     -0.39285714       0.39285714       0.39285714 1.0 
     -0.37500000       0.37500000       0.37500000 1.0 
     -0.35714286       0.35714286       0.35714286 1.0 
     -0.33928571       0.33928571       0.33928571 1.0 
     -0.32142857       0.32142857       0.32142857 1.0 
     -0.30357143       0.30357143       0.30357143 1.0 
     -0.28571429       0.28571429       0.28571429 1.0 
     -0.26785714       0.26785714       0.26785714 1.0 
     -0.25000000       0.25000000       0.25000000 1.0 
     -0.23214286       0.23214286       0.23214286 1.0 
     -0.21428571       0.21428571       0.21428571 1.0 
     -0.19642857       0.19642857       0.19642857 1.0 
     -0.17857143       0.17857143       0.17857143 1.0 
     -0.16071429       0.16071429       0.16071429 1.0 
     -0.14285714       0.14285714       0.14285714 1.0 
     -0.12500000       0.12500000       0.12500000 1.0 
     -0.10714286       0.10714286       0.10714286 1.0 
     -0.08928571       0.08928571       0.08928571 1.0 
     -0.07142857       0.07142857       0.07142857 1.0 
     -0.05357143       0.05357143       0.05357143 1.0 
     -0.03571429       0.03571429       0.03571429 1.0 
     -0.01785714       0.01785714       0.01785714 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00891101       0.00891101      -0.00891101 1.0 
      0.01782202       0.01782202      -0.01782202 1.0 
      0.02673303       0.02673303      -0.02673303 1.0 
      0.03564404       0.03564404      -0.03564404 1.0 
      0.04455505       0.04455505      -0.04455505 1.0 
      0.05346606       0.05346606      -0.05346606 1.0 
      0.06237707       0.06237707      -0.06237707 1.0 
      0.07128808       0.07128808      -0.07128808 1.0 
      0.08019908       0.08019908      -0.08019908 1.0 
      0.08911009       0.08911009      -0.08911009 1.0 
      0.09802110       0.09802110      -0.09802110 1.0 
      0.10693211       0.10693211      -0.10693211 1.0 
      0.11584312       0.11584312      -0.11584312 1.0 
      0.12475413       0.12475413      -0.12475413 1.0 
      0.13366514       0.13366514      -0.13366514 1.0 
      0.14257615       0.14257615      -0.14257615 1.0 
      0.15148716       0.15148716      -0.15148716 1.0 
      0.16039817       0.16039817      -0.16039817 1.0 
      0.16930918       0.16930918      -0.16930918 1.0 
      0.17822019       0.17822019      -0.17822019 1.0 
      0.18713120       0.18713120      -0.18713120 1.0 
      0.19604221       0.19604221      -0.19604221 1.0 
      0.20495322       0.20495322      -0.20495322 1.0 
      0.21386423       0.21386423      -0.21386423 1.0 
      0.22277524       0.22277524      -0.22277524 1.0 
      0.23168624       0.23168624      -0.23168624 1.0 
      0.24059725       0.24059725      -0.24059725 1.0 
      0.24950826       0.24950826      -0.24950826 1.0 
      0.25841927       0.25841927      -0.25841927 1.0 
      0.26733028       0.26733028      -0.26733028 1.0 
      0.27624129       0.27624129      -0.27624129 1.0 
      0.28515230       0.28515230      -0.28515230 1.0 
      0.29406331       0.29406331      -0.29406331 1.0 
      0.30297432       0.30297432      -0.30297432 1.0 
      0.31188533       0.31188533      -0.31188533 1.0 
      0.31188533       0.31188533      -0.31188533 1.0 
      0.30893841       0.30893841      -0.28512888 1.0 
      0.30599149       0.30599149      -0.25837244 1.0 
      0.30304457       0.30304457      -0.23161600 1.0 
      0.30009765       0.30009765      -0.20485955 1.0 
      0.29715073       0.29715073      -0.17810311 1.0 
      0.29420381       0.29420381      -0.15134666 1.0 
      0.29125689       0.29125689      -0.12459022 1.0 
      0.28830997       0.28830997      -0.09783378 1.0 
      0.28536305       0.28536305      -0.07107733 1.0 
      0.28241612       0.28241612      -0.04432089 1.0 
      0.27946920       0.27946920      -0.01756444 1.0 
      0.27652228       0.27652228       0.00919200 1.0 
      0.27357536       0.27357536       0.03594845 1.0 
      0.27062844       0.27062844       0.06270489 1.0 
      0.26768152       0.26768152       0.08946133 1.0 
      0.26473460       0.26473460       0.11621778 1.0 
      0.26178768       0.26178768       0.14297422 1.0 
      0.25884076       0.25884076       0.16973067 1.0 
      0.25589384       0.25589384       0.19648711 1.0 
      0.25294692       0.25294692       0.22324356 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23214286       0.26785714       0.23214286 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.19642857       0.30357143       0.19642857 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.16071429       0.33928571       0.16071429 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.08928571       0.41071429       0.08928571 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.05357143       0.44642857       0.05357143 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.01785714       0.48214286       0.01785714 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.01949283       0.51175717       0.01949283 1.0 
     -0.03898567       0.52351433       0.03898567 1.0 
     -0.05847850       0.53527150       0.05847850 1.0 
     -0.07797133       0.54702867       0.07797133 1.0 
     -0.09746417       0.55878583       0.09746417 1.0 
     -0.11695700       0.57054300       0.11695700 1.0 
     -0.13644983       0.58230017       0.13644983 1.0 
     -0.15594266       0.59405734       0.15594266 1.0 
     -0.17543550       0.60581450       0.17543550 1.0 
     -0.19492833       0.61757167       0.19492833 1.0 
     -0.21442116       0.62932884       0.21442116 1.0 
     -0.23391400       0.64108600       0.23391400 1.0 
     -0.25340683       0.65284317       0.25340683 1.0 
     -0.27289966       0.66460034       0.27289966 1.0 
     -0.29239250       0.67635750       0.29239250 1.0 
     -0.31188533       0.68811467       0.31188533 1.0 
     -0.31188533       0.68811467       0.31188533 1.0 
     -0.32084317       0.67915683       0.32084317 1.0 
     -0.32980101       0.67019899       0.32980101 1.0 
     -0.33875885       0.66124115       0.33875885 1.0 
     -0.34771670       0.65228330       0.34771670 1.0 
     -0.35667454       0.64332546       0.35667454 1.0 
     -0.36563238       0.63436762       0.36563238 1.0 
     -0.37459022       0.62540978       0.37459022 1.0 
     -0.38354806       0.61645194       0.38354806 1.0 
     -0.39250590       0.60749410       0.39250590 1.0 
     -0.40146374       0.59853626       0.40146374 1.0 
     -0.41042159       0.58957841       0.41042159 1.0 
     -0.41937943       0.58062057       0.41937943 1.0 
     -0.42833727       0.57166273       0.42833727 1.0 
     -0.43729511       0.56270489       0.43729511 1.0 
     -0.44625295       0.55374705       0.44625295 1.0 
     -0.45521079       0.54478921       0.45521079 1.0 
     -0.46416863       0.53583137       0.46416863 1.0 
     -0.47312648       0.52687352       0.47312648 1.0 
     -0.48208432       0.51791568       0.48208432 1.0 
     -0.49104216       0.50895784       0.49104216 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
      0.00892857       0.00892857       0.49107143 1.0 
      0.01785714       0.01785714       0.48214286 1.0 
      0.02678571       0.02678571       0.47321429 1.0 
      0.03571429       0.03571429       0.46428571 1.0 
      0.04464286       0.04464286       0.45535714 1.0 
      0.05357143       0.05357143       0.44642857 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07142857       0.07142857       0.42857143 1.0 
      0.08035714       0.08035714       0.41964286 1.0 
      0.08928571       0.08928571       0.41071429 1.0 
      0.09821429       0.09821429       0.40178571 1.0 
      0.10714286       0.10714286       0.39285714 1.0 
      0.11607143       0.11607143       0.38392857 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.13392857       0.13392857       0.36607143 1.0 
      0.14285714       0.14285714       0.35714286 1.0 
      0.15178571       0.15178571       0.34821429 1.0 
      0.16071429       0.16071429       0.33928571 1.0 
      0.16964286       0.16964286       0.33035714 1.0 
      0.17857143       0.17857143       0.32142857 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.19642857       0.19642857       0.30357143 1.0 
      0.20535714       0.20535714       0.29464286 1.0 
      0.21428571       0.21428571       0.28571429 1.0 
      0.22321429       0.22321429       0.27678571 1.0 
      0.23214286       0.23214286       0.26785714 1.0 
      0.24107143       0.24107143       0.25892857 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

