! Pwscf input file created with ciftopw.py 
! Compound: CuWO3F2
&control
         calculation     = 'bands'
         prefix          = 'CuWO3F2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.1394797684110003
         celldm(2)       =            0.3823314928638400
         celldm(3)       =            0.5441191790811540
         celldm(4)       =            0.2799965700775252
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       14
         ntyp            =        4
         ecutwfc         =       80.00000000
         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 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 W 183.8400 W.rel-pbe-oncvpsp.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
270
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01562500 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.04687500 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.07812500 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.10937500 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.14062500 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.17187500 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.20312500 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.23437500 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26562500 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.29687500 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.32812500 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.35937500 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.39062500 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.42187500 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.45312500 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.48437500 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01146826       0.50456988 1.0 
      0.00000000       0.02293653       0.50913975 1.0 
      0.00000000       0.03440479       0.51370963 1.0 
      0.00000000       0.04587306       0.51827950 1.0 
      0.00000000       0.05734132       0.52284938 1.0 
      0.00000000       0.06880958       0.52741925 1.0 
      0.00000000       0.08027785       0.53198913 1.0 
      0.00000000       0.09174611       0.53655900 1.0 
      0.00000000       0.10321438       0.54112888 1.0 
      0.00000000       0.11468264       0.54569875 1.0 
      0.00000000       0.12615091       0.55026863 1.0 
      0.00000000       0.13761917       0.55483850 1.0 
      0.00000000       0.14908743       0.55940838 1.0 
      0.00000000       0.16055570       0.56397826 1.0 
      0.00000000       0.17202396       0.56854813 1.0 
      0.00000000       0.18349223       0.57311801 1.0 
      0.00000000       0.19496049       0.57768788 1.0 
      0.00000000       0.20642875       0.58225776 1.0 
      0.00000000       0.21789702       0.58682763 1.0 
      0.00000000       0.22936528       0.59139751 1.0 
      0.00000000       0.24083355       0.59596738 1.0 
      0.00000000       0.25230181       0.60053726 1.0 
      0.00000000       0.26377008       0.60510713 1.0 
      0.00000000       0.27523834       0.60967701 1.0 
      0.00000000       0.28670660       0.61424689 1.0 
      0.00000000       0.29817487       0.61881676 1.0 
      0.00000000       0.30964313       0.62338664 1.0 
      0.00000000       0.32111140       0.62795651 1.0 
      0.00000000       0.33257966       0.63252639 1.0 
      0.00000000       0.34404792       0.63709626 1.0 
      0.00000000       0.35551619       0.64166614 1.0 
      0.00000000       0.36698445       0.64623601 1.0 
      0.00000000       0.37845272       0.65080589 1.0 
      0.00000000       0.38992098       0.65537576 1.0 
      0.00000000       0.40138925       0.65994564 1.0 
      0.00000000       0.41285751       0.66451551 1.0 
      0.00000000       0.42432577       0.66908539 1.0 
      0.00000000       0.43579404       0.67365527 1.0 
      0.00000000       0.43579404       0.67365527 1.0 
      0.00000000       0.44038018       0.66125132 1.0 
      0.00000000       0.44496632       0.64884737 1.0 
      0.00000000       0.44955246       0.63644342 1.0 
      0.00000000       0.45413860       0.62403948 1.0 
      0.00000000       0.45872474       0.61163553 1.0 
      0.00000000       0.46331088       0.59923158 1.0 
      0.00000000       0.46789702       0.58682763 1.0 
      0.00000000       0.47248316       0.57442369 1.0 
      0.00000000       0.47706930       0.56201974 1.0 
      0.00000000       0.48165544       0.54961579 1.0 
      0.00000000       0.48624158       0.53721184 1.0 
      0.00000000       0.49082772       0.52480790 1.0 
      0.00000000       0.49541386       0.51240395 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02941176       0.50000000       0.50000000 1.0 
      0.05882353       0.50000000       0.50000000 1.0 
      0.08823529       0.50000000       0.50000000 1.0 
      0.11764706       0.50000000       0.50000000 1.0 
      0.14705882       0.50000000       0.50000000 1.0 
      0.17647059       0.50000000       0.50000000 1.0 
      0.20588235       0.50000000       0.50000000 1.0 
      0.23529412       0.50000000       0.50000000 1.0 
      0.26470588       0.50000000       0.50000000 1.0 
      0.29411765       0.50000000       0.50000000 1.0 
      0.32352941       0.50000000       0.50000000 1.0 
      0.35294118       0.50000000       0.50000000 1.0 
      0.38235294       0.50000000       0.50000000 1.0 
      0.41176471       0.50000000       0.50000000 1.0 
      0.44117647       0.50000000       0.50000000 1.0 
      0.47058824       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50458614       0.48759605 1.0 
      0.50000000       0.50917228       0.47519210 1.0 
      0.50000000       0.51375842       0.46278816 1.0 
      0.50000000       0.51834456       0.45038421 1.0 
      0.50000000       0.52293070       0.43798026 1.0 
      0.50000000       0.52751684       0.42557631 1.0 
      0.50000000       0.53210298       0.41317237 1.0 
      0.50000000       0.53668912       0.40076842 1.0 
      0.50000000       0.54127526       0.38836447 1.0 
      0.50000000       0.54586140       0.37596052 1.0 
      0.50000000       0.55044754       0.36355658 1.0 
      0.50000000       0.55503368       0.35115263 1.0 
      0.50000000       0.55961982       0.33874868 1.0 
      0.50000000       0.56420596       0.32634473 1.0 
      0.50000000       0.56420596       0.32634473 1.0 
      0.50000000       0.56099566       0.31002750 1.0 
      0.50000000       0.55778537       0.29371026 1.0 
      0.50000000       0.55457507       0.27739302 1.0 
      0.50000000       0.55136477       0.26107579 1.0 
      0.50000000       0.54815447       0.24475855 1.0 
      0.50000000       0.54494417       0.22844131 1.0 
      0.50000000       0.54173388       0.21212408 1.0 
      0.50000000       0.53852358       0.19580684 1.0 
      0.50000000       0.53531328       0.17948960 1.0 
      0.50000000       0.53210298       0.16317237 1.0 
      0.50000000       0.52889268       0.14685513 1.0 
      0.50000000       0.52568238       0.13053789 1.0 
      0.50000000       0.52247209       0.11422066 1.0 
      0.50000000       0.51926179       0.09790342 1.0 
      0.50000000       0.51605149       0.08158618 1.0 
      0.50000000       0.51284119       0.06526895 1.0 
      0.50000000       0.50963089       0.04895171 1.0 
      0.50000000       0.50642060       0.03263447 1.0 
      0.50000000       0.50321030       0.01631724 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47058824       0.50000000       0.00000000 1.0 
      0.44117647       0.50000000       0.00000000 1.0 
      0.41176471       0.50000000       0.00000000 1.0 
      0.38235294       0.50000000       0.00000000 1.0 
      0.35294118       0.50000000       0.00000000 1.0 
      0.32352941       0.50000000       0.00000000 1.0 
      0.29411765       0.50000000       0.00000000 1.0 
      0.26470588       0.50000000       0.00000000 1.0 
      0.23529412       0.50000000       0.00000000 1.0 
      0.20588235       0.50000000       0.00000000 1.0 
      0.17647059       0.50000000       0.00000000 1.0 
      0.14705882       0.50000000       0.00000000 1.0 
      0.11764706       0.50000000       0.00000000 1.0 
      0.08823529       0.50000000       0.00000000 1.0 
      0.05882353       0.50000000       0.00000000 1.0 
      0.02941176       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50321030       0.01631724 1.0 
      0.00000000       0.50642060       0.03263447 1.0 
      0.00000000       0.50963089       0.04895171 1.0 
      0.00000000       0.51284119       0.06526895 1.0 
      0.00000000       0.51605149       0.08158618 1.0 
      0.00000000       0.51926179       0.09790342 1.0 
      0.00000000       0.52247209       0.11422066 1.0 
      0.00000000       0.52568238       0.13053789 1.0 
      0.00000000       0.52889268       0.14685513 1.0 
      0.00000000       0.53210298       0.16317237 1.0 
      0.00000000       0.53531328       0.17948960 1.0 
      0.00000000       0.53852358       0.19580684 1.0 
      0.00000000       0.54173388       0.21212408 1.0 
      0.00000000       0.54494417       0.22844131 1.0 
      0.00000000       0.54815447       0.24475855 1.0 
      0.00000000       0.55136477       0.26107579 1.0 
      0.00000000       0.55457507       0.27739302 1.0 
      0.00000000       0.55778537       0.29371026 1.0 
      0.00000000       0.56099566       0.31002750 1.0 
      0.00000000       0.56420596       0.32634473 1.0 
      0.50000000       0.43579404       0.67365527 1.0 
      0.50000000       0.42432577       0.66908539 1.0 
      0.50000000       0.41285751       0.66451551 1.0 
      0.50000000       0.40138925       0.65994564 1.0 
      0.50000000       0.38992098       0.65537576 1.0 
      0.50000000       0.37845272       0.65080589 1.0 
      0.50000000       0.36698445       0.64623601 1.0 
      0.50000000       0.35551619       0.64166614 1.0 
      0.50000000       0.34404792       0.63709626 1.0 
      0.50000000       0.33257966       0.63252639 1.0 
      0.50000000       0.32111140       0.62795651 1.0 
      0.50000000       0.30964313       0.62338664 1.0 
      0.50000000       0.29817487       0.61881676 1.0 
      0.50000000       0.28670660       0.61424689 1.0 
      0.50000000       0.27523834       0.60967701 1.0 
      0.50000000       0.26377008       0.60510713 1.0 
      0.50000000       0.25230181       0.60053726 1.0 
      0.50000000       0.24083355       0.59596738 1.0 
      0.50000000       0.22936528       0.59139751 1.0 
      0.50000000       0.21789702       0.58682763 1.0 
      0.50000000       0.20642875       0.58225776 1.0 
      0.50000000       0.19496049       0.57768788 1.0 
      0.50000000       0.18349223       0.57311801 1.0 
      0.50000000       0.17202396       0.56854813 1.0 
      0.50000000       0.16055570       0.56397826 1.0 
      0.50000000       0.14908743       0.55940838 1.0 
      0.50000000       0.13761917       0.55483850 1.0 
      0.50000000       0.12615091       0.55026863 1.0 
      0.50000000       0.11468264       0.54569875 1.0 
      0.50000000       0.10321438       0.54112888 1.0 
      0.50000000       0.09174611       0.53655900 1.0 
      0.50000000       0.08027785       0.53198913 1.0 
      0.50000000       0.06880958       0.52741925 1.0 
      0.50000000       0.05734132       0.52284938 1.0 
      0.50000000       0.04587306       0.51827950 1.0 
      0.50000000       0.03440479       0.51370963 1.0 
      0.50000000       0.02293653       0.50913975 1.0 
      0.50000000       0.01146826       0.50456988 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.48437500 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.45312500 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.42187500 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.39062500 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.35937500 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.32812500 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.29687500 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.26562500 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.23437500 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
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      0.50000000       0.00000000       0.18750000 1.0 
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      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.14062500 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.10937500 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.07812500 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.04687500 1.0 
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      0.50000000       0.00000000       0.01562500 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02941176       0.00000000       0.50000000 1.0 
      0.05882353       0.00000000       0.50000000 1.0 
      0.08823529       0.00000000       0.50000000 1.0 
      0.11764706       0.00000000       0.50000000 1.0 
      0.14705882       0.00000000       0.50000000 1.0 
      0.17647059       0.00000000       0.50000000 1.0 
      0.20588235       0.00000000       0.50000000 1.0 
      0.23529412       0.00000000       0.50000000 1.0 
      0.26470588       0.00000000       0.50000000 1.0 
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      0.32352941       0.00000000       0.50000000 1.0 
      0.35294118       0.00000000       0.50000000 1.0 
      0.38235294       0.00000000       0.50000000 1.0 
      0.41176471       0.00000000       0.50000000 1.0 
      0.44117647       0.00000000       0.50000000 1.0 
      0.47058824       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

