! Pwscf input file created with ciftopw.py 
! Compound: CrCl3
&control
         calculation     = 'bands'
         prefix          = 'CrCl3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.6978553362495656
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.6090040840424691
         celldm(5)       =            0.6090040840424691
         celldm(6)       =            0.6090040840424692
         nat             =        8
         ntyp            =        2
         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 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
233
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      0.01562500       0.00000000       0.00000000 1.0 
      0.03125000       0.00000000       0.00000000 1.0 
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      0.10937500      -0.00000000       0.00000000 1.0 
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      0.73796285       0.50000000       0.26203715 1.0 
      0.72881043       0.50000000       0.27118957 1.0 
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      0.71050560       0.50000000       0.28949440 1.0 
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      0.68304834       0.50000000       0.31695166 1.0 
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      0.65559109       0.50000000       0.34440891 1.0 
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      0.63728626       0.50000000       0.36271374 1.0 
      0.62813384       0.50000000       0.37186616 1.0 
      0.61898142       0.50000000       0.38101858 1.0 
      0.60982901       0.50000000       0.39017099 1.0 
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      0.58237175       0.50000000       0.41762825 1.0 
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      0.56406692       0.50000000       0.43593308 1.0 
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      0.54576209       0.50000000       0.45423791 1.0 
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      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 
      0.00930035      -0.00000000      -0.00930035 1.0 
      0.01860070      -0.00000000      -0.01860070 1.0 
      0.02790106       0.00000000      -0.02790106 1.0 
      0.03720141      -0.00000000      -0.03720141 1.0 
      0.04650176      -0.00000000      -0.04650176 1.0 
      0.05580211       0.00000000      -0.05580211 1.0 
      0.06510247       0.00000000      -0.06510247 1.0 
      0.07440282      -0.00000000      -0.07440282 1.0 
      0.08370317       0.00000000      -0.08370317 1.0 
      0.09300352      -0.00000000      -0.09300352 1.0 
      0.10230388       0.00000000      -0.10230388 1.0 
      0.11160423       0.00000000      -0.11160423 1.0 
      0.12090458       0.00000000      -0.12090458 1.0 
      0.13020493       0.00000000      -0.13020493 1.0 
      0.13950529      -0.00000000      -0.13950529 1.0 
      0.14880564      -0.00000000      -0.14880564 1.0 
      0.15810599      -0.00000000      -0.15810599 1.0 
      0.16740634       0.00000000      -0.16740634 1.0 
      0.17670669      -0.00000000      -0.17670669 1.0 
      0.18600705      -0.00000000      -0.18600705 1.0 
      0.19530740      -0.00000000      -0.19530740 1.0 
      0.20460775       0.00000000      -0.20460775 1.0 
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      0.22320846       0.00000000      -0.22320846 1.0 
      0.23250881      -0.00000000      -0.23250881 1.0 
      0.24180916       0.00000000      -0.24180916 1.0 
      0.25110951      -0.00000000      -0.25110951 1.0 
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      0.29761128      -0.00000000      -0.29761128 1.0 
      0.30691163      -0.00000000      -0.30691163 1.0 
      0.31621198      -0.00000000      -0.31621198 1.0 
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      0.63728626       0.36271374       0.00000000 1.0 
      0.62813384       0.37186616       0.00000000 1.0 
      0.61898142       0.38101858       0.00000000 1.0 
      0.60982901       0.39017099       0.00000000 1.0 
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      0.59152417       0.40847583       0.00000000 1.0 
      0.58237175       0.41762825       0.00000000 1.0 
      0.57321934       0.42678066       0.00000000 1.0 
      0.56406692       0.43593308       0.00000000 1.0 
      0.55491450       0.44508550       0.00000000 1.0 
      0.54576209       0.45423791       0.00000000 1.0 
      0.53660967       0.46339033       0.00000000 1.0 
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      0.51830483       0.48169517       0.00000000 1.0 
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      0.51248057       0.51248057       0.02049341 1.0 
      0.52496114       0.52496114       0.04098682 1.0 
      0.53744171       0.53744171       0.06148022 1.0 
      0.54992228       0.54992228       0.08197363 1.0 
      0.56240284       0.56240284       0.10246704 1.0 
      0.57488341       0.57488341       0.12296045 1.0 
      0.58736398       0.58736398       0.14345385 1.0 
      0.59984455       0.59984455       0.16394726 1.0 
      0.61232512       0.61232512       0.18444067 1.0 
      0.62480569       0.62480569       0.20493408 1.0 
      0.63728626       0.63728626       0.22542748 1.0 
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      0.63200602       0.63200602       0.23598797 1.0 
      0.62672578       0.62672578       0.24654845 1.0 
      0.62144554       0.62144554       0.25710893 1.0 
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      0.56864313       0.56864313       0.36271374 1.0 
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      0.55280241       0.55280241       0.39439519 1.0 
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      0.54224193       0.54224193       0.41551615 1.0 
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      0.52640120       0.52640120       0.44719759 1.0 
      0.52112096       0.52112096       0.45775807 1.0 
      0.51584072       0.51584072       0.46831856 1.0 
      0.51056048       0.51056048       0.47887904 1.0 
      0.50528024       0.50528024       0.48943952 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.51445119       0.01909020       0.01909020 1.0 
      0.52890237       0.03818039       0.03818039 1.0 
      0.54335356       0.05727059       0.05727059 1.0 
      0.55780474       0.07636079       0.07636079 1.0 
      0.57225593       0.09545098       0.09545098 1.0 
      0.58670711       0.11454118       0.11454118 1.0 
      0.60115830       0.13363138       0.13363138 1.0 
      0.61560948       0.15272158       0.15272158 1.0 
      0.63006067       0.17181177       0.17181177 1.0 
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      0.65896304       0.20999217       0.20999217 1.0 
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      0.73121896       0.30544315       0.30544315 1.0 
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      0.76012133       0.34362354       0.34362354 1.0 
      0.77457252       0.36271374       0.36271374 1.0 

