! Pwscf input file created with ciftopw.py 
! Compound: PAuS4
&control
         calculation     = 'bands'
         prefix          = 'PAuS4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.1323758011990002
         celldm(2)       =            1.1816329994907486
         celldm(3)       =            1.3686980139195384
         celldm(4)       =            0.2048377285537253
         celldm(5)       =            0.0420500329206822
         celldm(6)       =            0.1858381108425614
         nat             =       12
         ntyp            =        3
         ecutwfc         =       42.00000000
         ecutrho         =      424.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
210
      0.50000000       0.00000000       0.00000000 1.0 
      0.48214286      -0.00000000      -0.00000000 1.0 
      0.46428571       0.00000000       0.00000000 1.0 
      0.44642857      -0.00000000      -0.00000000 1.0 
      0.42857143      -0.00000000      -0.00000000 1.0 
      0.41071429      -0.00000000      -0.00000000 1.0 
      0.39285714       0.00000000       0.00000000 1.0 
      0.37500000      -0.00000000      -0.00000000 1.0 
      0.35714286      -0.00000000      -0.00000000 1.0 
      0.33928571       0.00000000       0.00000000 1.0 
      0.32142857       0.00000000       0.00000000 1.0 
      0.30357143      -0.00000000      -0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.26785714      -0.00000000      -0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.23214286      -0.00000000       0.00000000 1.0 
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      0.17857143      -0.00000000      -0.00000000 1.0 
      0.16071429       0.00000000       0.00000000 1.0 
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      0.12500000       0.00000000       0.00000000 1.0 
      0.10714286      -0.00000000      -0.00000000 1.0 
      0.08928571      -0.00000000      -0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.05357143      -0.00000000      -0.00000000 1.0 
      0.03571429       0.00000000       0.00000000 1.0 
      0.01785714       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.02083333       0.00000000 1.0 
      0.00000000       0.04166667       0.00000000 1.0 
      0.00000000       0.06250000       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
      0.00000000       0.10416667       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.14583333       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.18750000       0.00000000 1.0 
      0.00000000       0.20833333       0.00000000 1.0 
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      0.00000000       0.25000000       0.00000000 1.0 
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      0.00000000       0.31250000       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.35416667       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.39583333       0.00000000 1.0 
      0.00000000       0.41666667       0.00000000 1.0 
      0.00000000       0.43750000       0.00000000 1.0 
      0.00000000       0.45833333       0.00000000 1.0 
      0.00000000       0.47916667       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48484848       0.48484848       0.00000000 1.0 
      0.46969697       0.46969697       0.00000000 1.0 
      0.45454545       0.45454545       0.00000000 1.0 
      0.43939394       0.43939394      -0.00000000 1.0 
      0.42424242       0.42424242       0.00000000 1.0 
      0.40909091       0.40909091       0.00000000 1.0 
      0.39393939       0.39393939       0.00000000 1.0 
      0.37878788       0.37878788       0.00000000 1.0 
      0.36363636       0.36363636       0.00000000 1.0 
      0.34848485       0.34848485       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.31818182       0.31818182       0.00000000 1.0 
      0.30303030       0.30303030       0.00000000 1.0 
      0.28787879       0.28787879       0.00000000 1.0 
      0.27272727       0.27272727       0.00000000 1.0 
      0.25757576       0.25757576       0.00000000 1.0 
      0.24242424       0.24242424       0.00000000 1.0 
      0.22727273       0.22727273       0.00000000 1.0 
      0.21212121       0.21212121       0.00000000 1.0 
      0.19696970       0.19696970       0.00000000 1.0 
      0.18181818       0.18181818       0.00000000 1.0 
      0.16666667       0.16666667      -0.00000000 1.0 
      0.15151515       0.15151515       0.00000000 1.0 
      0.13636364       0.13636364       0.00000000 1.0 
      0.12121212       0.12121212       0.00000000 1.0 
      0.10606061       0.10606061       0.00000000 1.0 
      0.09090909       0.09090909      -0.00000000 1.0 
      0.07575758       0.07575758       0.00000000 1.0 
      0.06060606       0.06060606       0.00000000 1.0 
      0.04545455       0.04545455      -0.00000000 1.0 
      0.03030303       0.03030303       0.00000000 1.0 
      0.01515152       0.01515152       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      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 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48529412       0.00000000       0.48529412 1.0 
      0.47058824       0.00000000       0.47058824 1.0 
      0.45588235      -0.00000000       0.45588235 1.0 
      0.44117647      -0.00000000       0.44117647 1.0 
      0.42647059       0.00000000       0.42647059 1.0 
      0.41176471      -0.00000000       0.41176471 1.0 
      0.39705882       0.00000000       0.39705882 1.0 
      0.38235294       0.00000000       0.38235294 1.0 
      0.36764706       0.00000000       0.36764706 1.0 
      0.35294118       0.00000000       0.35294118 1.0 
      0.33823529      -0.00000000       0.33823529 1.0 
      0.32352941       0.00000000       0.32352941 1.0 
      0.30882353      -0.00000000       0.30882353 1.0 
      0.29411765      -0.00000000       0.29411765 1.0 
      0.27941176       0.00000000       0.27941176 1.0 
      0.26470588      -0.00000000       0.26470588 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23529412       0.00000000       0.23529412 1.0 
      0.22058824      -0.00000000       0.22058824 1.0 
      0.20588235      -0.00000000       0.20588235 1.0 
      0.19117647       0.00000000       0.19117647 1.0 
      0.17647059       0.00000000       0.17647059 1.0 
      0.16176471      -0.00000000       0.16176471 1.0 
      0.14705882      -0.00000000       0.14705882 1.0 
      0.13235294      -0.00000000       0.13235294 1.0 
      0.11764706       0.00000000       0.11764706 1.0 
      0.10294118       0.00000000       0.10294118 1.0 
      0.08823529       0.00000000       0.08823529 1.0 
      0.07352941      -0.00000000       0.07352941 1.0 
      0.05882353       0.00000000       0.05882353 1.0 
      0.04411765       0.00000000       0.04411765 1.0 
      0.02941176      -0.00000000       0.02941176 1.0 
      0.01470588      -0.00000000       0.01470588 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01785714       0.01785714 1.0 
      0.00000000       0.03571429       0.03571429 1.0 
      0.00000000       0.05357143       0.05357143 1.0 
      0.00000000       0.07142857       0.07142857 1.0 
      0.00000000       0.08928571       0.08928571 1.0 
      0.00000000       0.10714286       0.10714286 1.0 
      0.00000000       0.12500000       0.12500000 1.0 
      0.00000000       0.14285714       0.14285714 1.0 
      0.00000000       0.16071429       0.16071429 1.0 
      0.00000000       0.17857143       0.17857143 1.0 
      0.00000000       0.19642857       0.19642857 1.0 
      0.00000000       0.21428571       0.21428571 1.0 
      0.00000000       0.23214286       0.23214286 1.0 
      0.00000000       0.25000000       0.25000000 1.0 
      0.00000000       0.26785714       0.26785714 1.0 
      0.00000000       0.28571429       0.28571429 1.0 
      0.00000000       0.30357143       0.30357143 1.0 
      0.00000000       0.32142857       0.32142857 1.0 
      0.00000000       0.33928571       0.33928571 1.0 
      0.00000000       0.35714286       0.35714286 1.0 
      0.00000000       0.37500000       0.37500000 1.0 
      0.00000000       0.39285714       0.39285714 1.0 
      0.00000000       0.41071429       0.41071429 1.0 
      0.00000000       0.42857143       0.42857143 1.0 
      0.00000000       0.44642857       0.44642857 1.0 
      0.00000000       0.46428571       0.46428571 1.0 
      0.00000000       0.48214286       0.48214286 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48611111       0.48611111       0.48611111 1.0 
      0.47222222       0.47222222       0.47222222 1.0 
      0.45833333       0.45833333       0.45833333 1.0 
      0.44444444       0.44444444       0.44444444 1.0 
      0.43055556       0.43055556       0.43055556 1.0 
      0.41666667       0.41666667       0.41666667 1.0 
      0.40277778       0.40277778       0.40277778 1.0 
      0.38888889       0.38888889       0.38888889 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.36111111       0.36111111       0.36111111 1.0 
      0.34722222       0.34722222       0.34722222 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.31944444       0.31944444       0.31944444 1.0 
      0.30555556       0.30555556       0.30555556 1.0 
      0.29166667       0.29166667       0.29166667 1.0 
      0.27777778       0.27777778       0.27777778 1.0 
      0.26388889       0.26388889       0.26388889 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23611111       0.23611111       0.23611111 1.0 
      0.22222222       0.22222222       0.22222222 1.0 
      0.20833333       0.20833333       0.20833333 1.0 
      0.19444444       0.19444444       0.19444444 1.0 
      0.18055556       0.18055556       0.18055556 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.15277778       0.15277778       0.15277778 1.0 
      0.13888889       0.13888889       0.13888889 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.11111111       0.11111111       0.11111111 1.0 
      0.09722222       0.09722222       0.09722222 1.0 
      0.08333333       0.08333333       0.08333333 1.0 
      0.06944444       0.06944444       0.06944444 1.0 
      0.05555556       0.05555556       0.05555556 1.0 
      0.04166667       0.04166667       0.04166667 1.0 
      0.02777778       0.02777778       0.02777778 1.0 
      0.01388889       0.01388889       0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

