! Pwscf input file created with ciftopw.py 
! Compound: Sr4As2O
&control
         calculation     = 'bands'
         prefix          = 'Sr4As2O'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.7552109636722655
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8515630745507971
         celldm(5)       =           -0.8515630745507971
         celldm(6)       =            0.7031261491015939
         nat             =        7
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
285
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01086957 1.0 
      0.00000000       0.00000000       0.02173913 1.0 
      0.00000000       0.00000000       0.03260870 1.0 
      0.00000000       0.00000000       0.04347826 1.0 
      0.00000000       0.00000000       0.05434783 1.0 
      0.00000000       0.00000000       0.06521739 1.0 
      0.00000000       0.00000000       0.07608696 1.0 
      0.00000000       0.00000000       0.08695652 1.0 
      0.00000000       0.00000000       0.09782609 1.0 
      0.00000000       0.00000000       0.10869565 1.0 
      0.00000000       0.00000000       0.11956522 1.0 
      0.00000000       0.00000000       0.13043478 1.0 
      0.00000000       0.00000000       0.14130435 1.0 
      0.00000000       0.00000000       0.15217391 1.0 
      0.00000000       0.00000000       0.16304348 1.0 
      0.00000000       0.00000000       0.17391304 1.0 
      0.00000000       0.00000000       0.18478261 1.0 
      0.00000000       0.00000000       0.19565217 1.0 
      0.00000000       0.00000000       0.20652174 1.0 
      0.00000000       0.00000000       0.21739130 1.0 
      0.00000000       0.00000000       0.22826087 1.0 
      0.00000000       0.00000000       0.23913043 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26086957 1.0 
      0.00000000       0.00000000       0.27173913 1.0 
      0.00000000       0.00000000       0.28260870 1.0 
      0.00000000       0.00000000       0.29347826 1.0 
      0.00000000       0.00000000       0.30434783 1.0 
      0.00000000       0.00000000       0.31521739 1.0 
      0.00000000       0.00000000       0.32608696 1.0 
      0.00000000       0.00000000       0.33695652 1.0 
      0.00000000       0.00000000       0.34782609 1.0 
      0.00000000       0.00000000       0.35869565 1.0 
      0.00000000       0.00000000       0.36956522 1.0 
      0.00000000       0.00000000       0.38043478 1.0 
      0.00000000       0.00000000       0.39130435 1.0 
      0.00000000       0.00000000       0.40217391 1.0 
      0.00000000       0.00000000       0.41304348 1.0 
      0.00000000       0.00000000       0.42391304 1.0 
      0.00000000       0.00000000       0.43478261 1.0 
      0.00000000       0.00000000       0.44565217 1.0 
      0.00000000       0.00000000       0.45652174 1.0 
      0.00000000       0.00000000       0.46739130 1.0 
      0.00000000       0.00000000       0.47826087 1.0 
      0.00000000       0.00000000       0.48913043 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00871556       0.00871556       0.50000000 1.0 
     -0.01743111       0.01743111       0.50000000 1.0 
     -0.02614667       0.02614667       0.50000000 1.0 
     -0.03486223       0.03486223       0.50000000 1.0 
     -0.04357778       0.04357778       0.50000000 1.0 
     -0.04357778       0.04357778       0.50000000 1.0 
     -0.05118482       0.05118482       0.49239296 1.0 
     -0.05879186       0.05879186       0.48478593 1.0 
     -0.06639889       0.06639889       0.47717889 1.0 
     -0.07400593       0.07400593       0.46957185 1.0 
     -0.08161297       0.08161297       0.46196482 1.0 
     -0.08922001       0.08922001       0.45435778 1.0 
     -0.09682704       0.09682704       0.44675074 1.0 
     -0.10443408       0.10443408       0.43914370 1.0 
     -0.11204112       0.11204112       0.43153667 1.0 
     -0.11964815       0.11964815       0.42392963 1.0 
     -0.12725519       0.12725519       0.41632259 1.0 
     -0.13486223       0.13486223       0.40871556 1.0 
     -0.14246926       0.14246926       0.40110852 1.0 
     -0.15007630       0.15007630       0.39350148 1.0 
     -0.15768334       0.15768334       0.38589445 1.0 
     -0.16529037       0.16529037       0.37828741 1.0 
     -0.17289741       0.17289741       0.37068037 1.0 
     -0.18050445       0.18050445       0.36307334 1.0 
     -0.18811149       0.18811149       0.35546630 1.0 
     -0.19571852       0.19571852       0.34785926 1.0 
     -0.20332556       0.20332556       0.34025222 1.0 
     -0.21093260       0.21093260       0.33264519 1.0 
     -0.21853963       0.21853963       0.32503815 1.0 
     -0.22614667       0.22614667       0.31743111 1.0 
     -0.23375371       0.23375371       0.30982408 1.0 
     -0.24136074       0.24136074       0.30221704 1.0 
     -0.24896778       0.24896778       0.29461000 1.0 
     -0.25657482       0.25657482       0.28700297 1.0 
     -0.26418185       0.26418185       0.27939593 1.0 
     -0.27178889       0.27178889       0.27178889 1.0 
     -0.27178889       0.27178889       0.27178889 1.0 
     -0.26423920       0.26423920       0.26423920 1.0 
     -0.25668951       0.25668951       0.25668951 1.0 
     -0.24913982       0.24913982       0.24913982 1.0 
     -0.24159013       0.24159013       0.24159013 1.0 
     -0.23404043       0.23404043       0.23404043 1.0 
     -0.22649074       0.22649074       0.22649074 1.0 
     -0.21894105       0.21894105       0.21894105 1.0 
     -0.21139136       0.21139136       0.21139136 1.0 
     -0.20384167       0.20384167       0.20384167 1.0 
     -0.19629198       0.19629198       0.19629198 1.0 
     -0.18874229       0.18874229       0.18874229 1.0 
     -0.18119259       0.18119259       0.18119259 1.0 
     -0.17364290       0.17364290       0.17364290 1.0 
     -0.16609321       0.16609321       0.16609321 1.0 
     -0.15854352       0.15854352       0.15854352 1.0 
     -0.15099383       0.15099383       0.15099383 1.0 
     -0.14344414       0.14344414       0.14344414 1.0 
     -0.13589445       0.13589445       0.13589445 1.0 
     -0.12834475       0.12834475       0.12834475 1.0 
     -0.12079506       0.12079506       0.12079506 1.0 
     -0.11324537       0.11324537       0.11324537 1.0 
     -0.10569568       0.10569568       0.10569568 1.0 
     -0.09814599       0.09814599       0.09814599 1.0 
     -0.09059630       0.09059630       0.09059630 1.0 
     -0.08304661       0.08304661       0.08304661 1.0 
     -0.07549691       0.07549691       0.07549691 1.0 
     -0.06794722       0.06794722       0.06794722 1.0 
     -0.06039753       0.06039753       0.06039753 1.0 
     -0.05284784       0.05284784       0.05284784 1.0 
     -0.04529815       0.04529815       0.04529815 1.0 
     -0.03774846       0.03774846       0.03774846 1.0 
     -0.03019877       0.03019877       0.03019877 1.0 
     -0.02264907       0.02264907       0.02264907 1.0 
     -0.01509938       0.01509938       0.01509938 1.0 
     -0.00754969       0.00754969       0.00754969 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02500000       0.02500000      -0.02500000 1.0 
      0.05000000       0.05000000      -0.05000000 1.0 
      0.07500000       0.07500000      -0.07500000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.15000000       0.15000000      -0.15000000 1.0 
      0.17500000       0.17500000      -0.17500000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.22500000       0.22500000      -0.22500000 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.27500000       0.27500000      -0.27500000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.32500000       0.32500000      -0.32500000 1.0 
      0.35000000       0.35000000      -0.35000000 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.42500000       0.42500000      -0.42500000 1.0 
      0.45000000       0.45000000      -0.45000000 1.0 
      0.47500000       0.47500000      -0.47500000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49239296       0.50760704      -0.49239296 1.0 
      0.48478593       0.51521407      -0.48478593 1.0 
      0.47717889       0.52282111      -0.47717889 1.0 
      0.46957185       0.53042815      -0.46957185 1.0 
      0.46196482       0.53803518      -0.46196482 1.0 
      0.45435778       0.54564222      -0.45435778 1.0 
      0.44675074       0.55324926      -0.44675074 1.0 
      0.43914370       0.56085630      -0.43914370 1.0 
      0.43153667       0.56846333      -0.43153667 1.0 
      0.42392963       0.57607037      -0.42392963 1.0 
      0.41632259       0.58367741      -0.41632259 1.0 
      0.40871556       0.59128444      -0.40871556 1.0 
      0.40110852       0.59889148      -0.40110852 1.0 
      0.39350148       0.60649852      -0.39350148 1.0 
      0.38589445       0.61410555      -0.38589445 1.0 
      0.37828741       0.62171259      -0.37828741 1.0 
      0.37068037       0.62931963      -0.37068037 1.0 
      0.36307334       0.63692666      -0.36307334 1.0 
      0.35546630       0.64453370      -0.35546630 1.0 
      0.34785926       0.65214074      -0.34785926 1.0 
      0.34025222       0.65974778      -0.34025222 1.0 
      0.33264519       0.66735481      -0.33264519 1.0 
      0.32503815       0.67496185      -0.32503815 1.0 
      0.31743111       0.68256889      -0.31743111 1.0 
      0.30982408       0.69017592      -0.30982408 1.0 
      0.30221704       0.69778296      -0.30221704 1.0 
      0.29461000       0.70539000      -0.29461000 1.0 
      0.28700297       0.71299703      -0.28700297 1.0 
      0.27939593       0.72060407      -0.27939593 1.0 
      0.27178889       0.72821111      -0.27178889 1.0 
      0.27178889       0.72821111      -0.27178889 1.0 
      0.24708081       0.70746464      -0.24708081 1.0 
      0.22237273       0.68671818      -0.22237273 1.0 
      0.19766465       0.66597172      -0.19766465 1.0 
      0.17295657       0.64522525      -0.17295657 1.0 
      0.14824849       0.62447879      -0.14824849 1.0 
      0.12354041       0.60373232      -0.12354041 1.0 
      0.09883232       0.58298586      -0.09883232 1.0 
      0.07412424       0.56223939      -0.07412424 1.0 
      0.04941616       0.54149293      -0.04941616 1.0 
      0.02470808       0.52074646      -0.02470808 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00757576       0.49242424       0.00757576 1.0 
      0.01515152       0.48484848       0.01515152 1.0 
      0.02272727       0.47727273       0.02272727 1.0 
      0.03030303       0.46969697       0.03030303 1.0 
      0.03787879       0.46212121       0.03787879 1.0 
      0.04545455       0.45454545       0.04545455 1.0 
      0.05303030       0.44696970       0.05303030 1.0 
      0.06060606       0.43939394       0.06060606 1.0 
      0.06818182       0.43181818       0.06818182 1.0 
      0.07575758       0.42424242       0.07575758 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09090909       0.40909091       0.09090909 1.0 
      0.09848485       0.40151515       0.09848485 1.0 
      0.10606061       0.39393939       0.10606061 1.0 
      0.11363636       0.38636364       0.11363636 1.0 
      0.12121212       0.37878788       0.12121212 1.0 
      0.12878788       0.37121212       0.12878788 1.0 
      0.13636364       0.36363636       0.13636364 1.0 
      0.14393939       0.35606061       0.14393939 1.0 
      0.15151515       0.34848485       0.15151515 1.0 
      0.15909091       0.34090909       0.15909091 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17424242       0.32575758       0.17424242 1.0 
      0.18181818       0.31818182       0.18181818 1.0 
      0.18939394       0.31060606       0.18939394 1.0 
      0.19696970       0.30303030       0.19696970 1.0 
      0.20454545       0.29545455       0.20454545 1.0 
      0.21212121       0.28787879       0.21212121 1.0 
      0.21969697       0.28030303       0.21969697 1.0 
      0.22727273       0.27272727       0.22727273 1.0 
      0.23484848       0.26515152       0.23484848 1.0 
      0.24242424       0.25757576       0.24242424 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.27272727       0.27272727       0.22331111 1.0 
      0.29545455       0.29545455       0.19662222 1.0 
      0.31818182       0.31818182       0.16993333 1.0 
      0.34090909       0.34090909       0.14324444 1.0 
      0.36363636       0.36363636       0.11655555 1.0 
      0.38636364       0.38636364       0.08986666 1.0 
      0.40909091       0.40909091       0.06317777 1.0 
      0.43181818       0.43181818       0.03648888 1.0 
      0.45454545       0.45454545       0.00980000 1.0 
      0.47727273       0.47727273      -0.01688889 1.0 
      0.50000000       0.50000000      -0.04357778 1.0 
      0.50000000       0.50000000      -0.04357778 1.0 
      0.50000000       0.50000000      -0.05444498 1.0 
      0.50000000       0.50000000      -0.06531217 1.0 
      0.50000000       0.50000000      -0.07617937 1.0 
      0.50000000       0.50000000      -0.08704657 1.0 
      0.50000000       0.50000000      -0.09791376 1.0 
      0.50000000       0.50000000      -0.10878096 1.0 
      0.50000000       0.50000000      -0.11964815 1.0 
      0.50000000       0.50000000      -0.13051535 1.0 
      0.50000000       0.50000000      -0.14138254 1.0 
      0.50000000       0.50000000      -0.15224974 1.0 
      0.50000000       0.50000000      -0.16311694 1.0 
      0.50000000       0.50000000      -0.17398413 1.0 
      0.50000000       0.50000000      -0.18485133 1.0 
      0.50000000       0.50000000      -0.19571852 1.0 
      0.50000000       0.50000000      -0.20658572 1.0 
      0.50000000       0.50000000      -0.21745291 1.0 
      0.50000000       0.50000000      -0.22832011 1.0 
      0.50000000       0.50000000      -0.23918730 1.0 
      0.50000000       0.50000000      -0.25005450 1.0 
      0.50000000       0.50000000      -0.26092170 1.0 
      0.50000000       0.50000000      -0.27178889 1.0 
      0.50000000       0.50000000      -0.28265609 1.0 
      0.50000000       0.50000000      -0.29352328 1.0 
      0.50000000       0.50000000      -0.30439048 1.0 
      0.50000000       0.50000000      -0.31525767 1.0 
      0.50000000       0.50000000      -0.32612487 1.0 
      0.50000000       0.50000000      -0.33699207 1.0 
      0.50000000       0.50000000      -0.34785926 1.0 
      0.50000000       0.50000000      -0.35872646 1.0 
      0.50000000       0.50000000      -0.36959365 1.0 
      0.50000000       0.50000000      -0.38046085 1.0 
      0.50000000       0.50000000      -0.39132804 1.0 
      0.50000000       0.50000000      -0.40219524 1.0 
      0.50000000       0.50000000      -0.41306243 1.0 
      0.50000000       0.50000000      -0.42392963 1.0 
      0.50000000       0.50000000      -0.43479683 1.0 
      0.50000000       0.50000000      -0.44566402 1.0 
      0.50000000       0.50000000      -0.45653122 1.0 
      0.50000000       0.50000000      -0.46739841 1.0 
      0.50000000       0.50000000      -0.47826561 1.0 
      0.50000000       0.50000000      -0.48913280 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

