! Pwscf input file created with ciftopw.py 
! Compound: CrAg(PS3)2
&control
         calculation     = 'bands'
         prefix          = 'CrAgxPS3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           20.0915667150479997
         celldm(2)       =            0.5541760722347631
         celldm(3)       =            0.6344055680963130
         celldm(4)       =            0.2736234909606183
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
204
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02000000 1.0 
      0.00000000       0.00000000       0.04000000 1.0 
      0.00000000       0.00000000       0.06000000 1.0 
      0.00000000       0.00000000       0.08000000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12000000 1.0 
      0.00000000       0.00000000       0.14000000 1.0 
      0.00000000       0.00000000       0.16000000 1.0 
      0.00000000       0.00000000       0.18000000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22000000 1.0 
      0.00000000       0.00000000       0.24000000 1.0 
      0.00000000       0.00000000       0.26000000 1.0 
      0.00000000       0.00000000       0.28000000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32000000 1.0 
      0.00000000       0.00000000       0.34000000 1.0 
      0.00000000       0.00000000       0.36000000 1.0 
      0.00000000       0.00000000       0.38000000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42000000 1.0 
      0.00000000       0.00000000       0.44000000 1.0 
      0.00000000       0.00000000       0.46000000 1.0 
      0.00000000       0.00000000       0.48000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01869467       0.50585586 1.0 
      0.00000000       0.03738933       0.51171171 1.0 
      0.00000000       0.05608400       0.51756757 1.0 
      0.00000000       0.07477867       0.52342342 1.0 
      0.00000000       0.09347334       0.52927928 1.0 
      0.00000000       0.11216800       0.53513513 1.0 
      0.00000000       0.13086267       0.54099099 1.0 
      0.00000000       0.14955734       0.54684684 1.0 
      0.00000000       0.16825201       0.55270270 1.0 
      0.00000000       0.18694667       0.55855855 1.0 
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      0.00000000       0.22433601       0.57027026 1.0 
      0.00000000       0.24303067       0.57612612 1.0 
      0.00000000       0.26172534       0.58198197 1.0 
      0.00000000       0.28042001       0.58783783 1.0 
      0.00000000       0.29911468       0.59369368 1.0 
      0.00000000       0.31780934       0.59954954 1.0 
      0.00000000       0.33650401       0.60540539 1.0 
      0.00000000       0.35519868       0.61126125 1.0 
      0.00000000       0.37389335       0.61711711 1.0 
      0.00000000       0.39258801       0.62297296 1.0 
      0.00000000       0.41128268       0.62882882 1.0 
      0.00000000       0.41128268       0.62882882 1.0 
      0.00000000       0.42114016       0.61451450 1.0 
      0.00000000       0.43099764       0.60020019 1.0 
      0.00000000       0.44085512       0.58588588 1.0 
      0.00000000       0.45071260       0.57157156 1.0 
      0.00000000       0.46057008       0.55725725 1.0 
      0.00000000       0.47042756       0.54294294 1.0 
      0.00000000       0.48028504       0.52862863 1.0 
      0.00000000       0.49014252       0.51431431 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03333333       0.50000000       0.50000000 1.0 
      0.06666667       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.13333333       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.23333333       0.50000000       0.50000000 1.0 
      0.26666667       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.36666667       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.43333333       0.50000000       0.50000000 1.0 
      0.46666667       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50985748       0.48568569 1.0 
      0.50000000       0.51971496       0.47137137 1.0 
      0.50000000       0.52957244       0.45705706 1.0 
      0.50000000       0.53942992       0.44274275 1.0 
      0.50000000       0.54928740       0.42842844 1.0 
      0.50000000       0.55914488       0.41411412 1.0 
      0.50000000       0.56900236       0.39979981 1.0 
      0.50000000       0.57885984       0.38548550 1.0 
      0.50000000       0.58871732       0.37117118 1.0 
      0.50000000       0.58871732       0.37117118 1.0 
      0.50000000       0.58378858       0.35055056 1.0 
      0.50000000       0.57885984       0.32992994 1.0 
      0.50000000       0.57393110       0.30930932 1.0 
      0.50000000       0.56900236       0.28868870 1.0 
      0.50000000       0.56407362       0.26806808 1.0 
      0.50000000       0.55914488       0.24744746 1.0 
      0.50000000       0.55421614       0.22682683 1.0 
      0.50000000       0.54928740       0.20620621 1.0 
      0.50000000       0.54435866       0.18558559 1.0 
      0.50000000       0.53942992       0.16496497 1.0 
      0.50000000       0.53450118       0.14434435 1.0 
      0.50000000       0.52957244       0.12372373 1.0 
      0.50000000       0.52464370       0.10310311 1.0 
      0.50000000       0.51971496       0.08248249 1.0 
      0.50000000       0.51478622       0.06186186 1.0 
      0.50000000       0.50985748       0.04124124 1.0 
      0.50000000       0.50492874       0.02062062 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.46666667       0.50000000       0.00000000 1.0 
      0.43333333       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.36666667       0.50000000       0.00000000 1.0 
      0.33333333       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.26666667       0.50000000       0.00000000 1.0 
      0.23333333       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.16666667       0.50000000       0.00000000 1.0 
      0.13333333       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.06666667       0.50000000       0.00000000 1.0 
      0.03333333       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50492874       0.02062062 1.0 
      0.00000000       0.50985748       0.04124124 1.0 
      0.00000000       0.51478622       0.06186186 1.0 
      0.00000000       0.51971496       0.08248249 1.0 
      0.00000000       0.52464370       0.10310311 1.0 
      0.00000000       0.52957244       0.12372373 1.0 
      0.00000000       0.53450118       0.14434435 1.0 
      0.00000000       0.53942992       0.16496497 1.0 
      0.00000000       0.54435866       0.18558559 1.0 
      0.00000000       0.54928740       0.20620621 1.0 
      0.00000000       0.55421614       0.22682683 1.0 
      0.00000000       0.55914488       0.24744746 1.0 
      0.00000000       0.56407362       0.26806808 1.0 
      0.00000000       0.56900236       0.28868870 1.0 
      0.00000000       0.57393110       0.30930932 1.0 
      0.00000000       0.57885984       0.32992994 1.0 
      0.00000000       0.58378858       0.35055056 1.0 
      0.00000000       0.58871732       0.37117118 1.0 
      0.50000000       0.41128268       0.62882882 1.0 
      0.50000000       0.39258801       0.62297296 1.0 
      0.50000000       0.37389335       0.61711711 1.0 
      0.50000000       0.35519868       0.61126125 1.0 
      0.50000000       0.33650401       0.60540539 1.0 
      0.50000000       0.31780934       0.59954954 1.0 
      0.50000000       0.29911468       0.59369368 1.0 
      0.50000000       0.28042001       0.58783783 1.0 
      0.50000000       0.26172534       0.58198197 1.0 
      0.50000000       0.24303067       0.57612612 1.0 
      0.50000000       0.22433601       0.57027026 1.0 
      0.50000000       0.20564134       0.56441441 1.0 
      0.50000000       0.18694667       0.55855855 1.0 
      0.50000000       0.16825201       0.55270270 1.0 
      0.50000000       0.14955734       0.54684684 1.0 
      0.50000000       0.13086267       0.54099099 1.0 
      0.50000000       0.11216800       0.53513513 1.0 
      0.50000000       0.09347334       0.52927928 1.0 
      0.50000000       0.07477867       0.52342342 1.0 
      0.50000000       0.05608400       0.51756757 1.0 
      0.50000000       0.03738933       0.51171171 1.0 
      0.50000000       0.01869467       0.50585586 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.48000000 1.0 
      0.50000000       0.00000000       0.46000000 1.0 
      0.50000000       0.00000000       0.44000000 1.0 
      0.50000000       0.00000000       0.42000000 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.38000000 1.0 
      0.50000000       0.00000000       0.36000000 1.0 
      0.50000000       0.00000000       0.34000000 1.0 
      0.50000000       0.00000000       0.32000000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.28000000 1.0 
      0.50000000       0.00000000       0.26000000 1.0 
      0.50000000       0.00000000       0.24000000 1.0 
      0.50000000       0.00000000       0.22000000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.18000000 1.0 
      0.50000000       0.00000000       0.16000000 1.0 
      0.50000000       0.00000000       0.14000000 1.0 
      0.50000000       0.00000000       0.12000000 1.0 
      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.08000000 1.0 
      0.50000000       0.00000000       0.06000000 1.0 
      0.50000000       0.00000000       0.04000000 1.0 
      0.50000000       0.00000000       0.02000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.03333333       0.00000000       0.50000000 1.0 
      0.06666667       0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.13333333       0.00000000       0.50000000 1.0 
      0.16666667       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.23333333       0.00000000       0.50000000 1.0 
      0.26666667       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.36666667       0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.43333333       0.00000000       0.50000000 1.0 
      0.46666667       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

