! Pwscf input file created with ciftopw.py 
! Compound: Cr(ClO)2
&control
         calculation     = 'bands'
         prefix          = 'CrxClOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.3938278913190008
         celldm(2)       =            1.2965198149265744
         celldm(3)       =            1.4433715550191109
         celldm(4)       =            0.2836471634273478
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       10
         ntyp            =        3
         ecutwfc         =       49.00000000
         ecutrho         =      457.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Cr  51.9961 Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
245
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02173913 1.0 
      0.00000000       0.00000000       0.04347826 1.0 
      0.00000000       0.00000000       0.06521739 1.0 
      0.00000000       0.00000000       0.08695652 1.0 
      0.00000000       0.00000000       0.10869565 1.0 
      0.00000000       0.00000000       0.13043478 1.0 
      0.00000000       0.00000000       0.15217391 1.0 
      0.00000000       0.00000000       0.17391304 1.0 
      0.00000000       0.00000000       0.19565217 1.0 
      0.00000000       0.00000000       0.21739130 1.0 
      0.00000000       0.00000000       0.23913043 1.0 
      0.00000000       0.00000000       0.26086957 1.0 
      0.00000000       0.00000000       0.28260870 1.0 
      0.00000000       0.00000000       0.30434783 1.0 
      0.00000000       0.00000000       0.32608696 1.0 
      0.00000000       0.00000000       0.34782609 1.0 
      0.00000000       0.00000000       0.36956522 1.0 
      0.00000000       0.00000000       0.39130435 1.0 
      0.00000000       0.00000000       0.41304348 1.0 
      0.00000000       0.00000000       0.43478261 1.0 
      0.00000000       0.00000000       0.45652174 1.0 
      0.00000000       0.00000000       0.47826087 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02026035       0.50639771 1.0 
      0.00000000       0.04052071       0.51279542 1.0 
      0.00000000       0.06078106       0.51919313 1.0 
      0.00000000       0.08104142       0.52559083 1.0 
      0.00000000       0.10130177       0.53198854 1.0 
      0.00000000       0.12156212       0.53838625 1.0 
      0.00000000       0.14182248       0.54478396 1.0 
      0.00000000       0.16208283       0.55118167 1.0 
      0.00000000       0.18234319       0.55757938 1.0 
      0.00000000       0.20260354       0.56397709 1.0 
      0.00000000       0.22286389       0.57037480 1.0 
      0.00000000       0.24312425       0.57677250 1.0 
      0.00000000       0.26338460       0.58317021 1.0 
      0.00000000       0.28364496       0.58956792 1.0 
      0.00000000       0.30390531       0.59596563 1.0 
      0.00000000       0.32416566       0.60236334 1.0 
      0.00000000       0.34442602       0.60876105 1.0 
      0.00000000       0.36468637       0.61515876 1.0 
      0.00000000       0.38494673       0.62155646 1.0 
      0.00000000       0.40520708       0.62795417 1.0 
      0.00000000       0.40520708       0.62795417 1.0 
      0.00000000       0.41573963       0.61373704 1.0 
      0.00000000       0.42627217       0.59951991 1.0 
      0.00000000       0.43680472       0.58530278 1.0 
      0.00000000       0.44733727       0.57108565 1.0 
      0.00000000       0.45786981       0.55686852 1.0 
      0.00000000       0.46840236       0.54265139 1.0 
      0.00000000       0.47893491       0.52843426 1.0 
      0.00000000       0.48946745       0.51421713 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.01562500       0.50000000       0.50000000 1.0 
      0.03125000       0.50000000       0.50000000 1.0 
      0.04687500       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
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      0.09375000       0.50000000       0.50000000 1.0 
      0.10937500       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.14062500       0.50000000       0.50000000 1.0 
      0.15625000       0.50000000       0.50000000 1.0 
      0.17187500       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.20312500       0.50000000       0.50000000 1.0 
      0.21875000       0.50000000       0.50000000 1.0 
      0.23437500       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.26562500       0.50000000       0.50000000 1.0 
      0.28125000       0.50000000       0.50000000 1.0 
      0.29687500       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.32812500       0.50000000       0.50000000 1.0 
      0.34375000       0.50000000       0.50000000 1.0 
      0.35937500       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.39062500       0.50000000       0.50000000 1.0 
      0.40625000       0.50000000       0.50000000 1.0 
      0.42187500       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.45312500       0.50000000       0.50000000 1.0 
      0.46875000       0.50000000       0.50000000 1.0 
      0.48437500       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.51053255       0.48578287 1.0 
      0.50000000       0.52106509       0.47156574 1.0 
      0.50000000       0.53159764       0.45734861 1.0 
      0.50000000       0.54213019       0.44313148 1.0 
      0.50000000       0.55266273       0.42891435 1.0 
      0.50000000       0.56319528       0.41469722 1.0 
      0.50000000       0.57372783       0.40048009 1.0 
      0.50000000       0.58426037       0.38626296 1.0 
      0.50000000       0.59479292       0.37204583 1.0 
      0.50000000       0.59479292       0.37204583 1.0 
      0.50000000       0.58921687       0.35016078 1.0 
      0.50000000       0.58364081       0.32827573 1.0 
      0.50000000       0.57806476       0.30639068 1.0 
      0.50000000       0.57248870       0.28450563 1.0 
      0.50000000       0.56691265       0.26262058 1.0 
      0.50000000       0.56133659       0.24073554 1.0 
      0.50000000       0.55576054       0.21885049 1.0 
      0.50000000       0.55018449       0.19696544 1.0 
      0.50000000       0.54460843       0.17508039 1.0 
      0.50000000       0.53903238       0.15319534 1.0 
      0.50000000       0.53345632       0.13131029 1.0 
      0.50000000       0.52788027       0.10942524 1.0 
      0.50000000       0.52230422       0.08754019 1.0 
      0.50000000       0.51672816       0.06565515 1.0 
      0.50000000       0.51115211       0.04377010 1.0 
      0.50000000       0.50557605       0.02188505 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48437500       0.50000000       0.00000000 1.0 
      0.46875000       0.50000000       0.00000000 1.0 
      0.45312500       0.50000000       0.00000000 1.0 
      0.43750000       0.50000000       0.00000000 1.0 
      0.42187500       0.50000000       0.00000000 1.0 
      0.40625000       0.50000000       0.00000000 1.0 
      0.39062500       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.35937500       0.50000000       0.00000000 1.0 
      0.34375000       0.50000000       0.00000000 1.0 
      0.32812500       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.29687500       0.50000000       0.00000000 1.0 
      0.28125000       0.50000000       0.00000000 1.0 
      0.26562500       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23437500       0.50000000       0.00000000 1.0 
      0.21875000       0.50000000       0.00000000 1.0 
      0.20312500       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.17187500       0.50000000       0.00000000 1.0 
      0.15625000       0.50000000       0.00000000 1.0 
      0.14062500       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.10937500       0.50000000       0.00000000 1.0 
      0.09375000       0.50000000       0.00000000 1.0 
      0.07812500       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.04687500       0.50000000       0.00000000 1.0 
      0.03125000       0.50000000       0.00000000 1.0 
      0.01562500       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50557605       0.02188505 1.0 
      0.00000000       0.51115211       0.04377010 1.0 
      0.00000000       0.51672816       0.06565515 1.0 
      0.00000000       0.52230422       0.08754019 1.0 
      0.00000000       0.52788027       0.10942524 1.0 
      0.00000000       0.53345632       0.13131029 1.0 
      0.00000000       0.53903238       0.15319534 1.0 
      0.00000000       0.54460843       0.17508039 1.0 
      0.00000000       0.55018449       0.19696544 1.0 
      0.00000000       0.55576054       0.21885049 1.0 
      0.00000000       0.56133659       0.24073554 1.0 
      0.00000000       0.56691265       0.26262058 1.0 
      0.00000000       0.57248870       0.28450563 1.0 
      0.00000000       0.57806476       0.30639068 1.0 
      0.00000000       0.58364081       0.32827573 1.0 
      0.00000000       0.58921687       0.35016078 1.0 
      0.00000000       0.59479292       0.37204583 1.0 
      0.50000000       0.40520708       0.62795417 1.0 
      0.50000000       0.38494673       0.62155646 1.0 
      0.50000000       0.36468637       0.61515876 1.0 
      0.50000000       0.34442602       0.60876105 1.0 
      0.50000000       0.32416566       0.60236334 1.0 
      0.50000000       0.30390531       0.59596563 1.0 
      0.50000000       0.28364496       0.58956792 1.0 
      0.50000000       0.26338460       0.58317021 1.0 
      0.50000000       0.24312425       0.57677250 1.0 
      0.50000000       0.22286389       0.57037480 1.0 
      0.50000000       0.20260354       0.56397709 1.0 
      0.50000000       0.18234319       0.55757938 1.0 
      0.50000000       0.16208283       0.55118167 1.0 
      0.50000000       0.14182248       0.54478396 1.0 
      0.50000000       0.12156212       0.53838625 1.0 
      0.50000000       0.10130177       0.53198854 1.0 
      0.50000000       0.08104142       0.52559083 1.0 
      0.50000000       0.06078106       0.51919313 1.0 
      0.50000000       0.04052071       0.51279542 1.0 
      0.50000000       0.02026035       0.50639771 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
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      0.50000000       0.00000000       0.47826087 1.0 
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      0.50000000       0.00000000       0.43478261 1.0 
      0.50000000       0.00000000       0.41304348 1.0 
      0.50000000       0.00000000       0.39130435 1.0 
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      0.50000000       0.00000000       0.34782609 1.0 
      0.50000000       0.00000000       0.32608696 1.0 
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      0.50000000       0.00000000       0.28260870 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01562500       0.00000000       0.50000000 1.0 
      0.03125000       0.00000000       0.50000000 1.0 
      0.04687500       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.07812500       0.00000000       0.50000000 1.0 
      0.09375000       0.00000000       0.50000000 1.0 
      0.10937500       0.00000000       0.50000000 1.0 
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      0.14062500       0.00000000       0.50000000 1.0 
      0.15625000       0.00000000       0.50000000 1.0 
      0.17187500       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.20312500       0.00000000       0.50000000 1.0 
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      0.23437500       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
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      0.28125000       0.00000000       0.50000000 1.0 
      0.29687500       0.00000000       0.50000000 1.0 
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      0.34375000       0.00000000       0.50000000 1.0 
      0.35937500       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
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      0.46875000       0.00000000       0.50000000 1.0 
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