! Pwscf input file created with ciftopw.py 
! Compound: AsBr5F6
&control
         calculation     = 'bands'
         prefix          = 'AsBr5F6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.6413046301845871
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.8429830980024398
         celldm(4)       =            0.2863503936414669
         celldm(5)       =            0.2863503936414669
         celldm(6)       =            0.1556485740451654
         nat             =       24
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      317.00000000
         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
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
214
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
      0.04411765       0.04411765       0.00000000 1.0 
      0.05882353       0.05882353       0.00000000 1.0 
      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.10294118       0.10294118      -0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.13235294       0.13235294       0.00000000 1.0 
      0.14705882       0.14705882       0.00000000 1.0 
      0.16176471       0.16176471       0.00000000 1.0 
      0.17647059       0.17647059       0.00000000 1.0 
      0.19117647       0.19117647       0.00000000 1.0 
      0.20588235       0.20588235      -0.00000000 1.0 
      0.22058824       0.22058824       0.00000000 1.0 
      0.23529412       0.23529412       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26470588       0.26470588       0.00000000 1.0 
      0.27941176       0.27941176       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
      0.30882353       0.30882353       0.00000000 1.0 
      0.32352941       0.32352941       0.00000000 1.0 
      0.33823529       0.33823529       0.00000000 1.0 
      0.35294118       0.35294118       0.00000000 1.0 
      0.36764706       0.36764706       0.00000000 1.0 
      0.38235294       0.38235294       0.00000000 1.0 
      0.39705882       0.39705882      -0.00000000 1.0 
      0.41176471       0.41176471      -0.00000000 1.0 
      0.42647059       0.42647059       0.00000000 1.0 
      0.44117647       0.44117647       0.00000000 1.0 
      0.45588235       0.45588235       0.00000000 1.0 
      0.47058824       0.47058824       0.00000000 1.0 
      0.48529412       0.48529412       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50392370       0.50392370       0.02525340 1.0 
      0.50784741       0.50784741       0.05050681 1.0 
      0.50784741       0.50784741       0.05050681 1.0 
      0.50724376       0.50724376       0.08508321 1.0 
      0.50664012       0.50664012       0.11965961 1.0 
      0.50603647       0.50603647       0.15423601 1.0 
      0.50543282       0.50543282       0.18881240 1.0 
      0.50482918       0.50482918       0.22338880 1.0 
      0.50422553       0.50422553       0.25796520 1.0 
      0.50362188       0.50362188       0.29254160 1.0 
      0.50301823       0.50301823       0.32711800 1.0 
      0.50241459       0.50241459       0.36169440 1.0 
      0.50181094       0.50181094       0.39627080 1.0 
      0.50120729       0.50120729       0.43084720 1.0 
      0.50060365       0.50060365       0.46542360 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51291034       0.48708966       0.50000000 1.0 
      0.52582067       0.47417933       0.50000000 1.0 
      0.53873101       0.46126899       0.50000000 1.0 
      0.55164135       0.44835865       0.50000000 1.0 
      0.56455169       0.43544831       0.50000000 1.0 
      0.57746202       0.42253798       0.50000000 1.0 
      0.59037236       0.40962764       0.50000000 1.0 
      0.60328270       0.39671730       0.50000000 1.0 
      0.39671730      -0.39671730       0.50000000 1.0 
      0.38303740      -0.38303740       0.50000000 1.0 
      0.36935749      -0.36935749       0.50000000 1.0 
      0.35567758      -0.35567758       0.50000000 1.0 
      0.34199767      -0.34199767       0.50000000 1.0 
      0.32831777      -0.32831777       0.50000000 1.0 
      0.31463786      -0.31463786       0.50000000 1.0 
      0.30095795      -0.30095795       0.50000000 1.0 
      0.28727805      -0.28727805       0.50000000 1.0 
      0.27359814      -0.27359814       0.50000000 1.0 
      0.25991823      -0.25991823       0.50000000 1.0 
      0.24623833      -0.24623833       0.50000000 1.0 
      0.23255842      -0.23255842       0.50000000 1.0 
      0.21887851      -0.21887851       0.50000000 1.0 
      0.20519860      -0.20519860       0.50000000 1.0 
      0.19151870      -0.19151870       0.50000000 1.0 
      0.17783879      -0.17783879       0.50000000 1.0 
      0.16415888      -0.16415888       0.50000000 1.0 
      0.15047898      -0.15047898       0.50000000 1.0 
      0.13679907      -0.13679907       0.50000000 1.0 
      0.12311916      -0.12311916       0.50000000 1.0 
      0.10943926      -0.10943926       0.50000000 1.0 
      0.09575935      -0.09575935       0.50000000 1.0 
      0.08207944      -0.08207944       0.50000000 1.0 
      0.06839953      -0.06839953       0.50000000 1.0 
      0.05471963      -0.05471963       0.50000000 1.0 
      0.04103972      -0.04103972       0.50000000 1.0 
      0.02735981      -0.02735981       0.50000000 1.0 
      0.01367991      -0.01367991       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01587589       0.01587589       0.51449978 1.0 
      0.03175178       0.03175178       0.52899956 1.0 
      0.04762767       0.04762767       0.54349934 1.0 
      0.06350356       0.06350356       0.55799912 1.0 
      0.07937945       0.07937945       0.57249890 1.0 
      0.09525534       0.09525534       0.58699868 1.0 
      0.11113123       0.11113123       0.60149846 1.0 
      0.12700712       0.12700712       0.61599824 1.0 
      0.14288301       0.14288301       0.63049802 1.0 
      0.15875890       0.15875890       0.64499780 1.0 
      0.17463479       0.17463479       0.65949758 1.0 
      0.19051068       0.19051068       0.67399737 1.0 
      0.20638657       0.20638657       0.68849715 1.0 
      0.22226246       0.22226246       0.70299693 1.0 
      0.23813835       0.23813835       0.71749671 1.0 
      0.25401424       0.25401424       0.73199649 1.0 
      0.26989013       0.26989013       0.74649627 1.0 
      0.28576602       0.28576602       0.76099605 1.0 
      0.30164191       0.30164191       0.77549583 1.0 
      0.31751780       0.31751780       0.78999561 1.0 
      0.33339369       0.33339369       0.80449539 1.0 
      0.34926958       0.34926958       0.81899517 1.0 
      0.36514547       0.36514547       0.83349495 1.0 
      0.38102136       0.38102136       0.84799473 1.0 
      0.39689725       0.39689725       0.86249451 1.0 
      0.41277314       0.41277314       0.87699429 1.0 
      0.42864903       0.42864903       0.89149407 1.0 
      0.44452492       0.44452492       0.90599385 1.0 
      0.46040081       0.46040081       0.92049363 1.0 
      0.47627670       0.47627670       0.93499341 1.0 
      0.49215259       0.49215259       0.94949319 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51237863       0.48762137       0.00000000 1.0 
      0.52475726       0.47524274       0.00000000 1.0 
      0.53713589       0.46286411       0.00000000 1.0 
      0.46286411      -0.46286411       0.00000000 1.0 
      0.44925046      -0.44925046       0.00000000 1.0 
      0.43563681      -0.43563681       0.00000000 1.0 
      0.42202316      -0.42202316       0.00000000 1.0 
      0.40840950      -0.40840950       0.00000000 1.0 
      0.39479585      -0.39479585       0.00000000 1.0 
      0.38118220      -0.38118220       0.00000000 1.0 
      0.36756855      -0.36756855       0.00000000 1.0 
      0.35395490      -0.35395490       0.00000000 1.0 
      0.34034125      -0.34034125       0.00000000 1.0 
      0.32672760      -0.32672760       0.00000000 1.0 
      0.31311395      -0.31311395       0.00000000 1.0 
      0.29950030      -0.29950030       0.00000000 1.0 
      0.28588665      -0.28588665       0.00000000 1.0 
      0.27227300      -0.27227300       0.00000000 1.0 
      0.25865935      -0.25865935       0.00000000 1.0 
      0.24504570      -0.24504570       0.00000000 1.0 
      0.23143205      -0.23143205       0.00000000 1.0 
      0.21781840      -0.21781840       0.00000000 1.0 
      0.20420475      -0.20420475       0.00000000 1.0 
      0.19059110      -0.19059110       0.00000000 1.0 
      0.17697745      -0.17697745       0.00000000 1.0 
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      0.08168190      -0.08168190       0.00000000 1.0 
      0.06806825      -0.06806825       0.00000000 1.0 
      0.05445460      -0.05445460       0.00000000 1.0 
      0.04084095      -0.04084095       0.00000000 1.0 
      0.02722730      -0.02722730       0.00000000 1.0 
      0.01361365      -0.01361365       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.02000000       0.00000000       0.00000000 1.0 
      0.04000000       0.00000000       0.00000000 1.0 
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      0.10000000       0.00000000       0.00000000 1.0 
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      0.14000000      -0.00000000      -0.00000000 1.0 
      0.16000000       0.00000000       0.00000000 1.0 
      0.18000000       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.22000000       0.00000000      -0.00000000 1.0 
      0.24000000       0.00000000       0.00000000 1.0 
      0.26000000       0.00000000       0.00000000 1.0 
      0.28000000      -0.00000000      -0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.32000000       0.00000000       0.00000000 1.0 
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      0.36000000       0.00000000       0.00000000 1.0 
      0.38000000       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.42000000       0.00000000       0.00000000 1.0 
      0.44000000       0.00000000      -0.00000000 1.0 
      0.46000000      -0.00000000      -0.00000000 1.0 
      0.48000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.30000000      -0.00000000       0.30000000 1.0 
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      0.26000000       0.00000000       0.26000000 1.0 
      0.24000000       0.00000000       0.24000000 1.0 
      0.22000000       0.00000000       0.22000000 1.0 
      0.20000000      -0.00000000       0.20000000 1.0 
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      0.12000000      -0.00000000       0.12000000 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
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      0.04000000       0.00000000       0.04000000 1.0 
      0.02000000      -0.00000000       0.02000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

