! Pwscf input file created with ciftopw.py 
! Compound: FeCl3
&control
         calculation     = 'bands'
         prefix          = 'FeCl3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.8137895354782376
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =            0.5999869927937178
         celldm(5)       =            0.5999869927937178
         celldm(6)       =            0.5999869927937178
         nat             =        8
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      238.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
230
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500       0.00000000       0.00000000 1.0 
      0.03125000       0.00000000       0.00000000 1.0 
      0.04687500       0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.07812500       0.00000000       0.00000000 1.0 
      0.09375000       0.00000000       0.00000000 1.0 
      0.10937500       0.00000000      -0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.14062500       0.00000000       0.00000000 1.0 
      0.15625000       0.00000000       0.00000000 1.0 
      0.17187500      -0.00000000      -0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20312500       0.00000000       0.00000000 1.0 
      0.21875000       0.00000000      -0.00000000 1.0 
      0.23437500       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26562500       0.00000000       0.00000000 1.0 
      0.28125000       0.00000000       0.00000000 1.0 
      0.29687500       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.32812500       0.00000000       0.00000000 1.0 
      0.34375000      -0.00000000      -0.00000000 1.0 
      0.35937500      -0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.39062500       0.00000000       0.00000000 1.0 
      0.40625000       0.00000000       0.00000000 1.0 
      0.42187500      -0.00000000       0.00000000 1.0 
      0.43750000       0.00000000      -0.00000000 1.0 
      0.45312500       0.00000000       0.00000000 1.0 
      0.46875000       0.00000000       0.00000000 1.0 
      0.48437500      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.01893962      -0.01893962 1.0 
      0.50000000       0.02840943      -0.02840943 1.0 
      0.50000000       0.03787924      -0.03787924 1.0 
      0.50000000       0.04734904      -0.04734904 1.0 
      0.50000000       0.05681885      -0.05681885 1.0 
      0.50000000       0.06628866      -0.06628866 1.0 
      0.50000000       0.07575847      -0.07575847 1.0 
      0.50000000       0.08522828      -0.08522828 1.0 
      0.50000000       0.09469809      -0.09469809 1.0 
      0.50000000       0.10416790      -0.10416790 1.0 
      0.50000000       0.11363771      -0.11363771 1.0 
      0.50000000       0.12310752      -0.12310752 1.0 
      0.50000000       0.13257733      -0.13257733 1.0 
      0.50000000       0.14204713      -0.14204713 1.0 
      0.50000000       0.15151694      -0.15151694 1.0 
      0.50000000       0.16098675      -0.16098675 1.0 
      0.50000000       0.17045656      -0.17045656 1.0 
      0.50000000       0.17992637      -0.17992637 1.0 
      0.50000000       0.18939618      -0.18939618 1.0 
      0.50000000       0.19886599      -0.19886599 1.0 
      0.50000000       0.20833580      -0.20833580 1.0 
      0.50000000       0.21780561      -0.21780561 1.0 
      0.50000000       0.22727541      -0.22727541 1.0 
      0.77272459       0.50000000       0.22727541 1.0 
      0.76332029       0.50000000       0.23667971 1.0 
      0.75391599       0.50000000       0.24608401 1.0 
      0.74451170       0.50000000       0.25548830 1.0 
      0.73510740       0.50000000       0.26489260 1.0 
      0.72570311       0.50000000       0.27429689 1.0 
      0.71629881       0.50000000       0.28370119 1.0 
      0.70689451       0.50000000       0.29310549 1.0 
      0.69749022       0.50000000       0.30250978 1.0 
      0.68808592       0.50000000       0.31191408 1.0 
      0.67868162       0.50000000       0.32131838 1.0 
      0.66927733       0.50000000       0.33072267 1.0 
      0.65987303       0.50000000       0.34012697 1.0 
      0.65046874       0.50000000       0.34953126 1.0 
      0.64106444       0.50000000       0.35893556 1.0 
      0.63166014       0.50000000       0.36833986 1.0 
      0.62225585       0.50000000       0.37774415 1.0 
      0.61285155       0.50000000       0.38714845 1.0 
      0.60344726       0.50000000       0.39655274 1.0 
      0.59404296       0.50000000       0.40595704 1.0 
      0.58463866       0.50000000       0.41536134 1.0 
      0.57523437       0.50000000       0.42476563 1.0 
      0.56583007       0.50000000       0.43416993 1.0 
      0.55642578       0.50000000       0.44357422 1.0 
      0.54702148       0.50000000       0.45297852 1.0 
      0.53761718       0.50000000       0.46238282 1.0 
      0.52821289       0.50000000       0.47178711 1.0 
      0.51880859       0.50000000       0.48119141 1.0 
      0.50940430       0.50000000       0.49059570 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      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 
      0.00956941      -0.00000000      -0.00956941 1.0 
      0.01913883      -0.00000000      -0.01913883 1.0 
      0.02870824       0.00000000      -0.02870824 1.0 
      0.03827765      -0.00000000      -0.03827765 1.0 
      0.04784707      -0.00000000      -0.04784707 1.0 
      0.05741648       0.00000000      -0.05741648 1.0 
      0.06698589       0.00000000      -0.06698589 1.0 
      0.07655531      -0.00000000      -0.07655531 1.0 
      0.08612472      -0.00000000      -0.08612472 1.0 
      0.09569413      -0.00000000      -0.09569413 1.0 
      0.10526355       0.00000000      -0.10526355 1.0 
      0.11483296       0.00000000      -0.11483296 1.0 
      0.12440237       0.00000000      -0.12440237 1.0 
      0.13397179       0.00000000      -0.13397179 1.0 
      0.14354120       0.00000000      -0.14354120 1.0 
      0.15311061      -0.00000000      -0.15311061 1.0 
      0.16268003      -0.00000000      -0.16268003 1.0 
      0.17224944      -0.00000000      -0.17224944 1.0 
      0.18181885      -0.00000000      -0.18181885 1.0 
      0.19138827      -0.00000000      -0.19138827 1.0 
      0.20095768      -0.00000000      -0.20095768 1.0 
      0.21052709       0.00000000      -0.21052709 1.0 
      0.22009651      -0.00000000      -0.22009651 1.0 
      0.22966592       0.00000000      -0.22966592 1.0 
      0.23923533       0.00000000      -0.23923533 1.0 
      0.24880475       0.00000000      -0.24880475 1.0 
      0.25837416      -0.00000000      -0.25837416 1.0 
      0.26794357       0.00000000      -0.26794357 1.0 
      0.27751299      -0.00000000      -0.27751299 1.0 
      0.28708240       0.00000000      -0.28708240 1.0 
      0.29665181      -0.00000000      -0.29665181 1.0 
      0.30622123      -0.00000000      -0.30622123 1.0 
      0.31579064      -0.00000000      -0.31579064 1.0 
      0.32536005      -0.00000000      -0.32536005 1.0 
      0.33492947       0.00000000      -0.33492947 1.0 
      0.34449888      -0.00000000      -0.34449888 1.0 
      0.35406829      -0.00000000      -0.35406829 1.0 
      0.36363771      -0.00000000      -0.36363771 1.0 
      0.63636229       0.36363771      -0.00000000 1.0 
      0.62727147       0.37272853      -0.00000000 1.0 
      0.61818065       0.38181935      -0.00000000 1.0 
      0.60908983       0.39091017      -0.00000000 1.0 
      0.59999901       0.40000099      -0.00000000 1.0 
      0.59090820       0.40909180      -0.00000000 1.0 
      0.58181738       0.41818262      -0.00000000 1.0 
      0.57272656       0.42727344      -0.00000000 1.0 
      0.56363574       0.43636426       0.00000000 1.0 
      0.55454492       0.44545508       0.00000000 1.0 
      0.54545410       0.45454590       0.00000000 1.0 
      0.53636328       0.46363672       0.00000000 1.0 
      0.52727246       0.47272754       0.00000000 1.0 
      0.51818164       0.48181836       0.00000000 1.0 
      0.50909082       0.49090918       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51239657       0.51239657       0.02066140 1.0 
      0.52479314       0.52479314       0.04132280 1.0 
      0.53718972       0.53718972       0.06198420 1.0 
      0.54958629       0.54958629       0.08264561 1.0 
      0.56198286       0.56198286       0.10330701 1.0 
      0.57437943       0.57437943       0.12396841 1.0 
      0.58677600       0.58677600       0.14462981 1.0 
      0.59917258       0.59917258       0.16529121 1.0 
      0.61156915       0.61156915       0.18595261 1.0 
      0.62396572       0.62396572       0.20661401 1.0 
      0.63636229       0.63636229       0.22727541 1.0 
      0.63636229       0.63636229       0.22727541 1.0 
      0.63090780       0.63090780       0.23818440 1.0 
      0.62545331       0.62545331       0.24909338 1.0 
      0.61999882       0.61999882       0.26000236 1.0 
      0.61454433       0.61454433       0.27091135 1.0 
      0.60908983       0.60908983       0.28182033 1.0 
      0.60363534       0.60363534       0.29272932 1.0 
      0.59818085       0.59818085       0.30363830 1.0 
      0.59272636       0.59272636       0.31454728 1.0 
      0.58727187       0.58727187       0.32545627 1.0 
      0.58181738       0.58181738       0.33636525 1.0 
      0.57636288       0.57636288       0.34727423 1.0 
      0.57090839       0.57090839       0.35818322 1.0 
      0.56545390       0.56545390       0.36909220 1.0 
      0.55999941       0.55999941       0.38000118 1.0 
      0.55454492       0.55454492       0.39091017 1.0 
      0.54909043       0.54909043       0.40181915 1.0 
      0.54363593       0.54363593       0.41272813 1.0 
      0.53818144       0.53818144       0.42363712 1.0 
      0.53272695       0.53272695       0.43454610 1.0 
      0.52727246       0.52727246       0.44545508 1.0 
      0.52181797       0.52181797       0.45636407 1.0 
      0.51636348       0.51636348       0.46727305 1.0 
      0.51090898       0.51090898       0.47818203 1.0 
      0.50545449       0.50545449       0.48909102 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51435393       0.01913883       0.01913883 1.0 
      0.52870785       0.03827765       0.03827765 1.0 
      0.54306178       0.05741648       0.05741648 1.0 
      0.55741570       0.07655531       0.07655531 1.0 
      0.57176963       0.09569413       0.09569413 1.0 
      0.58612355       0.11483296       0.11483296 1.0 
      0.60047748       0.13397179       0.13397179 1.0 
      0.61483140       0.15311061       0.15311061 1.0 
      0.62918533       0.17224944       0.17224944 1.0 
      0.64353926       0.19138827       0.19138827 1.0 
      0.65789318       0.21052709       0.21052709 1.0 
      0.67224711       0.22966592       0.22966592 1.0 
      0.68660103       0.24880475       0.24880475 1.0 
      0.70095496       0.26794357       0.26794357 1.0 
      0.71530888       0.28708240       0.28708240 1.0 
      0.72966281       0.30622123       0.30622123 1.0 
      0.74401673       0.32536005       0.32536005 1.0 
      0.75837066       0.34449888       0.34449888 1.0 
      0.77272459       0.36363771       0.36363771 1.0 

