! Pwscf input file created with ciftopw.py 
! Compound: BaSiF6
&control
         calculation     = 'bands'
         prefix          = 'BaSiF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.0025251206247070
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.1386125319739429
         celldm(5)       =           -0.1386125319739429
         celldm(6)       =           -0.1386125319739429
         nat             =        8
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
345
      0.00000000       0.00000000       0.00000000 1.0 
      0.00828549      -0.01058243       0.00828549 1.0 
      0.01657098      -0.02116487       0.01657098 1.0 
      0.02485647      -0.03174730       0.02485647 1.0 
      0.03314196      -0.04232974       0.03314196 1.0 
      0.04142745      -0.05291217       0.04142745 1.0 
      0.04971294      -0.06349461       0.04971294 1.0 
      0.05799843      -0.07407704       0.05799843 1.0 
      0.06628392      -0.08465948       0.06628392 1.0 
      0.07456941      -0.09524191       0.07456941 1.0 
      0.08285490      -0.10582435       0.08285490 1.0 
      0.09114039      -0.11640678       0.09114039 1.0 
      0.09942587      -0.12698922       0.09942587 1.0 
      0.10771136      -0.13757165       0.10771136 1.0 
      0.11599685      -0.14815409       0.11599685 1.0 
      0.12428234      -0.15873652       0.12428234 1.0 
      0.13256783      -0.16931896       0.13256783 1.0 
      0.14085332      -0.17990139       0.14085332 1.0 
      0.14913881      -0.19048383       0.14913881 1.0 
      0.15742430      -0.20106626       0.15742430 1.0 
      0.16570979      -0.21164870       0.16570979 1.0 
      0.17399528      -0.22223113       0.17399528 1.0 
      0.18228077      -0.23281357       0.18228077 1.0 
      0.19056626      -0.24339600       0.19056626 1.0 
      0.19885175      -0.25397844       0.19885175 1.0 
      0.20713724      -0.26456087       0.20713724 1.0 
      0.21542273      -0.27514331       0.21542273 1.0 
      0.22370822      -0.28572574       0.22370822 1.0 
      0.23199371      -0.29630818       0.23199371 1.0 
      0.24027920      -0.30689061       0.24027920 1.0 
      0.24856469      -0.31747305       0.24856469 1.0 
      0.25685018      -0.32805548       0.25685018 1.0 
      0.26513567      -0.33863792       0.26513567 1.0 
      0.27342116      -0.34922035       0.27342116 1.0 
      0.28170665      -0.35980279       0.28170665 1.0 
      0.28999214      -0.37038522       0.28999214 1.0 
      0.29827762      -0.38096766       0.29827762 1.0 
      0.30656311      -0.39155009       0.30656311 1.0 
      0.31484860      -0.40213253       0.31484860 1.0 
      0.32313409      -0.41271496       0.32313409 1.0 
      0.33141958      -0.42329740       0.33141958 1.0 
      0.33970507      -0.43387983       0.33970507 1.0 
      0.34799056      -0.44446227       0.34799056 1.0 
      0.35627605      -0.45504470       0.35627605 1.0 
      0.36456154      -0.46562714       0.36456154 1.0 
      0.37284703      -0.47620957       0.37284703 1.0 
      0.38113252      -0.48679201       0.38113252 1.0 
      0.38941801      -0.49737444       0.38941801 1.0 
      0.39770350      -0.50795688       0.39770350 1.0 
      0.40598899      -0.51853931       0.40598899 1.0 
      0.41427448      -0.52912175       0.41427448 1.0 
      0.42255997      -0.53970418       0.42255997 1.0 
      0.43084546      -0.55028662       0.43084546 1.0 
      0.43913095      -0.56086905       0.43913095 1.0 
      0.43913095      -0.56086905       0.43913095 1.0 
      0.44589418      -0.55410582       0.44589418 1.0 
      0.45265740      -0.54734260       0.45265740 1.0 
      0.45942063      -0.54057937       0.45942063 1.0 
      0.46618386      -0.53381614       0.46618386 1.0 
      0.47294709      -0.52705291       0.47294709 1.0 
      0.47971032      -0.52028968       0.47971032 1.0 
      0.48647354      -0.51352646       0.48647354 1.0 
      0.49323677      -0.50676323       0.49323677 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
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      0.48950534      -0.42428777       0.48950534 1.0 
      0.48740640      -0.40914532       0.48740640 1.0 
      0.48530747      -0.39400287       0.48530747 1.0 
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      0.46851601      -0.27286330       0.46851601 1.0 
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      0.46431814      -0.24257841       0.46431814 1.0 
      0.46221921      -0.22743596       0.46221921 1.0 
      0.46012028      -0.21229352       0.46012028 1.0 
      0.45802134      -0.19715107       0.45802134 1.0 
      0.45592241      -0.18200862       0.45592241 1.0 
      0.45382348      -0.16686618       0.45382348 1.0 
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      0.44962561      -0.13658128       0.44962561 1.0 
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      0.44542775      -0.10629639       0.44542775 1.0 
      0.44332881      -0.09115395       0.44332881 1.0 
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      0.43283415      -0.01544171       0.43283415 1.0 
      0.43073522      -0.00029927       0.43073522 1.0 
      0.42863628       0.01484318       0.42863628 1.0 
      0.42653735       0.02998563       0.42653735 1.0 
      0.42443842       0.04512807       0.42443842 1.0 
      0.42233948       0.06027052       0.42233948 1.0 
      0.42024055       0.07541297       0.42024055 1.0 
      0.41814162       0.09055541       0.41814162 1.0 
      0.41604269       0.10569786       0.41604269 1.0 
      0.41394375       0.12084031       0.41394375 1.0 
      0.41184482       0.13598275       0.41184482 1.0 
      0.40974589       0.15112520       0.40974589 1.0 
      0.40764695       0.16626764       0.40764695 1.0 
      0.40554802       0.18141009       0.40554802 1.0 
      0.40344909       0.19655254       0.40344909 1.0 
      0.40135016       0.21169498       0.40135016 1.0 
      0.39925122       0.22683743       0.39925122 1.0 
      0.39715229       0.24197988       0.39715229 1.0 
      0.39505336       0.25712232       0.39505336 1.0 
      0.39295442       0.27226477       0.39295442 1.0 
      0.39085549       0.28740722       0.39085549 1.0 
      0.38875656       0.30254966       0.38875656 1.0 
      0.38665763       0.31769211       0.38665763 1.0 
      0.38455869       0.33283456       0.38455869 1.0 
      0.38245976       0.34797700       0.38245976 1.0 
      0.38036083       0.36311945       0.38036083 1.0 
      0.37826189       0.37826189       0.37826189 1.0 
      0.37826189       0.37826189       0.37826189 1.0 
      0.37084500       0.37084500       0.37084500 1.0 
      0.36342810       0.36342810       0.36342810 1.0 
      0.35601120       0.35601120       0.35601120 1.0 
      0.34859430       0.34859430       0.34859430 1.0 
      0.34117740       0.34117740       0.34117740 1.0 
      0.33376050       0.33376050       0.33376050 1.0 
      0.32634360       0.32634360       0.32634360 1.0 
      0.31892670       0.31892670       0.31892670 1.0 
      0.31150980       0.31150980       0.31150980 1.0 
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      0.29667600       0.29667600       0.29667600 1.0 
      0.28925910       0.28925910       0.28925910 1.0 
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