! Pwscf input file created with ciftopw.py 
! Compound: Ba4Hf3S10
&control
         calculation     = 'bands'
         prefix          = 'Ba4Hf3S10'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           34.1227755182605392
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.9623703944172020
         celldm(5)       =           -0.9623703944172020
         celldm(6)       =            0.9247407888344037
         nat             =       17
         ntyp            =        3
         ecutwfc         =       48.00000000
         ecutrho         =      266.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
254
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01111111 1.0 
      0.00000000       0.00000000       0.02222222 1.0 
      0.00000000       0.00000000       0.03333333 1.0 
      0.00000000       0.00000000       0.04444444 1.0 
     -0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.06666667 1.0 
     -0.00000000       0.00000000       0.07777778 1.0 
      0.00000000       0.00000000       0.08888889 1.0 
     -0.00000000       0.00000000       0.10000000 1.0 
     -0.00000000       0.00000000       0.11111111 1.0 
     -0.00000000       0.00000000       0.12222222 1.0 
      0.00000000       0.00000000       0.13333333 1.0 
     -0.00000000       0.00000000       0.14444444 1.0 
     -0.00000000       0.00000000       0.15555556 1.0 
     -0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.17777778 1.0 
     -0.00000000       0.00000000       0.18888889 1.0 
     -0.00000000       0.00000000       0.20000000 1.0 
     -0.00000000       0.00000000       0.21111111 1.0 
     -0.00000000       0.00000000       0.22222222 1.0 
     -0.00000000       0.00000000       0.23333333 1.0 
     -0.00000000       0.00000000       0.24444444 1.0 
     -0.00000000       0.00000000       0.25555556 1.0 
      0.00000000       0.00000000       0.26666667 1.0 
     -0.00000000       0.00000000       0.27777778 1.0 
     -0.00000000       0.00000000       0.28888889 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
     -0.00000000       0.00000000       0.31111111 1.0 
      0.00000000       0.00000000       0.32222222 1.0 
     -0.00000000       0.00000000       0.33333333 1.0 
     -0.00000000       0.00000000       0.34444444 1.0 
      0.00000000       0.00000000       0.35555556 1.0 
     -0.00000000       0.00000000       0.36666667 1.0 
     -0.00000000       0.00000000       0.37777778 1.0 
     -0.00000000       0.00000000       0.38888889 1.0 
     -0.00000000       0.00000000       0.40000000 1.0 
     -0.00000000       0.00000000       0.41111111 1.0 
     -0.00000000       0.00000000       0.42222222 1.0 
     -0.00000000       0.00000000       0.43333333 1.0 
     -0.00000000       0.00000000       0.44444444 1.0 
     -0.00000000       0.00000000       0.45555556 1.0 
     -0.00000000       0.00000000       0.46666667 1.0 
     -0.00000000       0.00000000       0.47777778 1.0 
     -0.00000000       0.00000000       0.48888889 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00977524       0.00977524       0.50000000 1.0 
     -0.00977524       0.00977524       0.50000000 1.0 
     -0.01743500       0.01743500       0.49234024 1.0 
     -0.02509476       0.02509476       0.48468048 1.0 
     -0.03275453       0.03275453       0.47702071 1.0 
     -0.04041429       0.04041429       0.46936095 1.0 
     -0.04807405       0.04807405       0.46170119 1.0 
     -0.05573381       0.05573381       0.45404143 1.0 
     -0.06339357       0.06339357       0.44638167 1.0 
     -0.07105333       0.07105333       0.43872190 1.0 
     -0.07871310       0.07871310       0.43106214 1.0 
     -0.08637286       0.08637286       0.42340238 1.0 
     -0.09403262       0.09403262       0.41574262 1.0 
     -0.10169238       0.10169238       0.40808286 1.0 
     -0.10935214       0.10935214       0.40042310 1.0 
     -0.11701191       0.11701191       0.39276333 1.0 
     -0.12467167       0.12467167       0.38510357 1.0 
     -0.13233143       0.13233143       0.37744381 1.0 
     -0.13999119       0.13999119       0.36978405 1.0 
     -0.14765095       0.14765095       0.36212429 1.0 
     -0.15531072       0.15531072       0.35446452 1.0 
     -0.16297048       0.16297048       0.34680476 1.0 
     -0.17063024       0.17063024       0.33914500 1.0 
     -0.17829000       0.17829000       0.33148524 1.0 
     -0.18594976       0.18594976       0.32382548 1.0 
     -0.19360952       0.19360952       0.31616571 1.0 
     -0.20126929       0.20126929       0.30850595 1.0 
     -0.20892905       0.20892905       0.30084619 1.0 
     -0.21658881       0.21658881       0.29318643 1.0 
     -0.22424857       0.22424857       0.28552667 1.0 
     -0.23190833       0.23190833       0.27786691 1.0 
     -0.23956810       0.23956810       0.27020714 1.0 
     -0.24722786       0.24722786       0.26254738 1.0 
     -0.25488762       0.25488762       0.25488762 1.0 
     -0.25488762       0.25488762       0.25488762 1.0 
     -0.24716375       0.24716375       0.24716375 1.0 
     -0.23943989       0.23943989       0.23943989 1.0 
     -0.23171602       0.23171602       0.23171602 1.0 
     -0.22399215       0.22399215       0.22399215 1.0 
     -0.21626828       0.21626828       0.21626828 1.0 
     -0.20854442       0.20854442       0.20854442 1.0 
     -0.20082055       0.20082055       0.20082055 1.0 
     -0.19309668       0.19309668       0.19309668 1.0 
     -0.18537281       0.18537281       0.18537281 1.0 
     -0.17764895       0.17764895       0.17764895 1.0 
     -0.16992508       0.16992508       0.16992508 1.0 
     -0.16220121       0.16220121       0.16220121 1.0 
     -0.15447735       0.15447735       0.15447735 1.0 
     -0.14675348       0.14675348       0.14675348 1.0 
     -0.13902961       0.13902961       0.13902961 1.0 
     -0.13130574       0.13130574       0.13130574 1.0 
     -0.12358188       0.12358188       0.12358188 1.0 
     -0.11585801       0.11585801       0.11585801 1.0 
     -0.10813414       0.10813414       0.10813414 1.0 
     -0.10041027       0.10041027       0.10041027 1.0 
     -0.09268641       0.09268641       0.09268641 1.0 
     -0.08496254       0.08496254       0.08496254 1.0 
     -0.07723867       0.07723867       0.07723867 1.0 
     -0.06951481       0.06951481       0.06951481 1.0 
     -0.06179094       0.06179094       0.06179094 1.0 
     -0.05406707       0.05406707       0.05406707 1.0 
     -0.04634320       0.04634320       0.04634320 1.0 
     -0.03861934       0.03861934       0.03861934 1.0 
     -0.03089547       0.03089547       0.03089547 1.0 
     -0.02317160       0.02317160       0.02317160 1.0 
     -0.01544773       0.01544773       0.01544773 1.0 
     -0.00772387       0.00772387       0.00772387 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.05555556       0.05555556      -0.05555556 1.0 
      0.11111111       0.11111111      -0.11111111 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.22222222       0.22222222      -0.22222222 1.0 
      0.27777778       0.27777778      -0.27777778 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.38888889       0.38888889      -0.38888889 1.0 
      0.44444444       0.44444444      -0.44444444 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49234024       0.50765976      -0.49234024 1.0 
      0.48468048       0.51531952      -0.48468048 1.0 
      0.47702071       0.52297929      -0.47702071 1.0 
      0.46936095       0.53063905      -0.46936095 1.0 
      0.46170119       0.53829881      -0.46170119 1.0 
      0.45404143       0.54595857      -0.45404143 1.0 
      0.44638167       0.55361833      -0.44638167 1.0 
      0.43872190       0.56127810      -0.43872190 1.0 
      0.43106214       0.56893786      -0.43106214 1.0 
      0.42340238       0.57659762      -0.42340238 1.0 
      0.41574262       0.58425738      -0.41574262 1.0 
      0.40808286       0.59191714      -0.40808286 1.0 
      0.40042310       0.59957690      -0.40042310 1.0 
      0.39276333       0.60723667      -0.39276333 1.0 
      0.38510357       0.61489643      -0.38510357 1.0 
      0.37744381       0.62255619      -0.37744381 1.0 
      0.36978405       0.63021595      -0.36978405 1.0 
      0.36212429       0.63787571      -0.36212429 1.0 
      0.35446452       0.64553548      -0.35446452 1.0 
      0.34680476       0.65319524      -0.34680476 1.0 
      0.33914500       0.66085500      -0.33914500 1.0 
      0.33148524       0.66851476      -0.33148524 1.0 
      0.32382548       0.67617452      -0.32382548 1.0 
      0.31616571       0.68383429      -0.31616571 1.0 
      0.30850595       0.69149405      -0.30850595 1.0 
      0.30084619       0.69915381      -0.30084619 1.0 
      0.29318643       0.70681357      -0.29318643 1.0 
      0.28552667       0.71447333      -0.28552667 1.0 
      0.27786691       0.72213309      -0.27786691 1.0 
      0.27020714       0.72979286      -0.27020714 1.0 
      0.26254738       0.73745262      -0.26254738 1.0 
      0.25488762       0.74511238      -0.25488762 1.0 
      0.25488762       0.74511238      -0.25488762 1.0 
      0.20391010       0.69608990      -0.20391010 1.0 
      0.15293257       0.64706743      -0.15293257 1.0 
      0.10195505       0.59804495      -0.10195505 1.0 
      0.05097752       0.54902248      -0.05097752 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00781250       0.49218750       0.00781250 1.0 
      0.01562500       0.48437500       0.01562500 1.0 
      0.02343750       0.47656250       0.02343750 1.0 
      0.03125000       0.46875000       0.03125000 1.0 
      0.03906250       0.46093750       0.03906250 1.0 
      0.04687500       0.45312500       0.04687500 1.0 
      0.05468750       0.44531250       0.05468750 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.07031250       0.42968750       0.07031250 1.0 
      0.07812500       0.42187500       0.07812500 1.0 
      0.08593750       0.41406250       0.08593750 1.0 
      0.09375000       0.40625000       0.09375000 1.0 
      0.10156250       0.39843750       0.10156250 1.0 
      0.10937500       0.39062500       0.10937500 1.0 
      0.11718750       0.38281250       0.11718750 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13281250       0.36718750       0.13281250 1.0 
      0.14062500       0.35937500       0.14062500 1.0 
      0.14843750       0.35156250       0.14843750 1.0 
      0.15625000       0.34375000       0.15625000 1.0 
      0.16406250       0.33593750       0.16406250 1.0 
      0.17187500       0.32812500       0.17187500 1.0 
      0.17968750       0.32031250       0.17968750 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.19531250       0.30468750       0.19531250 1.0 
      0.20312500       0.29687500       0.20312500 1.0 
      0.21093750       0.28906250       0.21093750 1.0 
      0.21875000       0.28125000       0.21875000 1.0 
      0.22656250       0.27343750       0.22656250 1.0 
      0.23437500       0.26562500       0.23437500 1.0 
      0.24218750       0.25781250       0.24218750 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.30000000       0.30000000       0.19804495 1.0 
      0.35000000       0.35000000       0.14608990 1.0 
      0.40000000       0.40000000       0.09413486 1.0 
      0.45000000       0.45000000       0.04217981 1.0 
      0.50000000       0.50000000      -0.00977524 1.0 
      0.50000000       0.50000000      -0.00977524 1.0 
      0.50000000       0.50000000      -0.02091671 1.0 
      0.50000000       0.50000000      -0.03205818 1.0 
      0.50000000       0.50000000      -0.04319966 1.0 
      0.50000000       0.50000000      -0.05434113 1.0 
      0.50000000       0.50000000      -0.06548260 1.0 
      0.50000000       0.50000000      -0.07662407 1.0 
      0.50000000       0.50000000      -0.08776554 1.0 
      0.50000000       0.50000000      -0.09890701 1.0 
      0.50000000       0.50000000      -0.11004849 1.0 
      0.50000000       0.50000000      -0.12118996 1.0 
      0.50000000       0.50000000      -0.13233143 1.0 
      0.50000000       0.50000000      -0.14347290 1.0 
      0.50000000       0.50000000      -0.15461437 1.0 
      0.50000000       0.50000000      -0.16575585 1.0 
      0.50000000       0.50000000      -0.17689732 1.0 
      0.50000000       0.50000000      -0.18803879 1.0 
      0.50000000       0.50000000      -0.19918026 1.0 
      0.50000000       0.50000000      -0.21032173 1.0 
      0.50000000       0.50000000      -0.22146320 1.0 
      0.50000000       0.50000000      -0.23260468 1.0 
      0.50000000       0.50000000      -0.24374615 1.0 
      0.50000000       0.50000000      -0.25488762 1.0 
      0.50000000       0.50000000      -0.26602909 1.0 
      0.50000000       0.50000000      -0.27717056 1.0 
      0.50000000       0.50000000      -0.28831204 1.0 
      0.50000000       0.50000000      -0.29945351 1.0 
      0.50000000       0.50000000      -0.31059498 1.0 
      0.50000000       0.50000000      -0.32173645 1.0 
      0.50000000       0.50000000      -0.33287792 1.0 
      0.50000000       0.50000000      -0.34401939 1.0 
      0.50000000       0.50000000      -0.35516087 1.0 
      0.50000000       0.50000000      -0.36630234 1.0 
      0.50000000       0.50000000      -0.37744381 1.0 
      0.50000000       0.50000000      -0.38858528 1.0 
      0.50000000       0.50000000      -0.39972675 1.0 
      0.50000000       0.50000000      -0.41086823 1.0 
      0.50000000       0.50000000      -0.42200970 1.0 
      0.50000000       0.50000000      -0.43315117 1.0 
      0.50000000       0.50000000      -0.44429264 1.0 
      0.50000000       0.50000000      -0.45543411 1.0 
      0.50000000       0.50000000      -0.46657558 1.0 
      0.50000000       0.50000000      -0.47771706 1.0 
      0.50000000       0.50000000      -0.48885853 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

