! Pwscf input file created with ciftopw.py 
! Compound: HfS3
&control
         calculation     = 'bands'
         prefix          = 'HfS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            6.7939428756528004
         celldm(2)       =            1.4164163328882953
         celldm(3)       =            2.4941588785046731
         celldm(4)       =            0.1284494302003027
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        8
         ntyp            =        2
         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 
ATOMIC_POSITIONS crystal
K_POINTS crystal
277
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01571011       0.50355340 1.0 
      0.00000000       0.03142022       0.50710681 1.0 
      0.00000000       0.04713034       0.51066021 1.0 
      0.00000000       0.06284045       0.51421362 1.0 
      0.00000000       0.07855056       0.51776702 1.0 
      0.00000000       0.09426067       0.52132043 1.0 
      0.00000000       0.10997078       0.52487383 1.0 
      0.00000000       0.12568090       0.52842724 1.0 
      0.00000000       0.14139101       0.53198064 1.0 
      0.00000000       0.15710112       0.53553405 1.0 
      0.00000000       0.17281123       0.53908745 1.0 
      0.00000000       0.18852135       0.54264085 1.0 
      0.00000000       0.20423146       0.54619426 1.0 
      0.00000000       0.21994157       0.54974766 1.0 
      0.00000000       0.23565168       0.55330107 1.0 
      0.00000000       0.25136179       0.55685447 1.0 
      0.00000000       0.26707191       0.56040788 1.0 
      0.00000000       0.28278202       0.56396128 1.0 
      0.00000000       0.29849213       0.56751469 1.0 
      0.00000000       0.31420224       0.57106809 1.0 
      0.00000000       0.32991235       0.57462150 1.0 
      0.00000000       0.34562247       0.57817490 1.0 
      0.00000000       0.36133258       0.58172830 1.0 
      0.00000000       0.37704269       0.58528171 1.0 
      0.00000000       0.39275280       0.58883511 1.0 
      0.00000000       0.40846292       0.59238852 1.0 
      0.00000000       0.42417303       0.59594192 1.0 
      0.00000000       0.43988314       0.59949533 1.0 
      0.00000000       0.45559325       0.60304873 1.0 
      0.00000000       0.47130336       0.60660214 1.0 
      0.00000000       0.47130336       0.60660214 1.0 
      0.00000000       0.47704269       0.58528171 1.0 
      0.00000000       0.48278202       0.56396128 1.0 
      0.00000000       0.48852135       0.54264085 1.0 
      0.00000000       0.49426067       0.52132043 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.01136364       0.50000000       0.50000000 1.0 
      0.02272727       0.50000000       0.50000000 1.0 
      0.03409091       0.50000000       0.50000000 1.0 
      0.04545455       0.50000000       0.50000000 1.0 
      0.05681818       0.50000000       0.50000000 1.0 
      0.06818182       0.50000000       0.50000000 1.0 
      0.07954545       0.50000000       0.50000000 1.0 
      0.09090909       0.50000000       0.50000000 1.0 
      0.10227273       0.50000000       0.50000000 1.0 
      0.11363636       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.13636364       0.50000000       0.50000000 1.0 
      0.14772727       0.50000000       0.50000000 1.0 
      0.15909091       0.50000000       0.50000000 1.0 
      0.17045455       0.50000000       0.50000000 1.0 
      0.18181818       0.50000000       0.50000000 1.0 
      0.19318182       0.50000000       0.50000000 1.0 
      0.20454545       0.50000000       0.50000000 1.0 
      0.21590909       0.50000000       0.50000000 1.0 
      0.22727273       0.50000000       0.50000000 1.0 
      0.23863636       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.26136364       0.50000000       0.50000000 1.0 
      0.27272727       0.50000000       0.50000000 1.0 
      0.28409091       0.50000000       0.50000000 1.0 
      0.29545455       0.50000000       0.50000000 1.0 
      0.30681818       0.50000000       0.50000000 1.0 
      0.31818182       0.50000000       0.50000000 1.0 
      0.32954545       0.50000000       0.50000000 1.0 
      0.34090909       0.50000000       0.50000000 1.0 
      0.35227273       0.50000000       0.50000000 1.0 
      0.36363636       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.38636364       0.50000000       0.50000000 1.0 
      0.39772727       0.50000000       0.50000000 1.0 
      0.40909091       0.50000000       0.50000000 1.0 
      0.42045455       0.50000000       0.50000000 1.0 
      0.43181818       0.50000000       0.50000000 1.0 
      0.44318182       0.50000000       0.50000000 1.0 
      0.45454545       0.50000000       0.50000000 1.0 
      0.46590909       0.50000000       0.50000000 1.0 
      0.47727273       0.50000000       0.50000000 1.0 
      0.48863636       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50573933       0.47867957 1.0 
      0.50000000       0.51147865       0.45735915 1.0 
      0.50000000       0.51721798       0.43603872 1.0 
      0.50000000       0.52295731       0.41471829 1.0 
      0.50000000       0.52869664       0.39339786 1.0 
      0.50000000       0.52869664       0.39339786 1.0 
      0.50000000       0.52664688       0.36529802 1.0 
      0.50000000       0.52459712       0.33719817 1.0 
      0.50000000       0.52254736       0.30909832 1.0 
      0.50000000       0.52049760       0.28099847 1.0 
      0.50000000       0.51844784       0.25289863 1.0 
      0.50000000       0.51639808       0.22479878 1.0 
      0.50000000       0.51434832       0.19669893 1.0 
      0.50000000       0.51229856       0.16859908 1.0 
      0.50000000       0.51024880       0.14049924 1.0 
      0.50000000       0.50819904       0.11239939 1.0 
      0.50000000       0.50614928       0.08429954 1.0 
      0.50000000       0.50409952       0.05619969 1.0 
      0.50000000       0.50204976       0.02809985 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48863636       0.50000000       0.00000000 1.0 
      0.47727273       0.50000000       0.00000000 1.0 
      0.46590909       0.50000000       0.00000000 1.0 
      0.45454545       0.50000000       0.00000000 1.0 
      0.44318182       0.50000000       0.00000000 1.0 
      0.43181818       0.50000000       0.00000000 1.0 
      0.42045455       0.50000000       0.00000000 1.0 
      0.40909091       0.50000000       0.00000000 1.0 
      0.39772727       0.50000000       0.00000000 1.0 
      0.38636364       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.36363636       0.50000000       0.00000000 1.0 
      0.35227273       0.50000000       0.00000000 1.0 
      0.34090909       0.50000000       0.00000000 1.0 
      0.32954545       0.50000000       0.00000000 1.0 
      0.31818182       0.50000000       0.00000000 1.0 
      0.30681818       0.50000000       0.00000000 1.0 
      0.29545455       0.50000000       0.00000000 1.0 
      0.28409091       0.50000000       0.00000000 1.0 
      0.27272727       0.50000000       0.00000000 1.0 
      0.26136364       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23863636       0.50000000       0.00000000 1.0 
      0.22727273       0.50000000       0.00000000 1.0 
      0.21590909       0.50000000       0.00000000 1.0 
      0.20454545       0.50000000       0.00000000 1.0 
      0.19318182       0.50000000       0.00000000 1.0 
      0.18181818       0.50000000       0.00000000 1.0 
      0.17045455       0.50000000       0.00000000 1.0 
      0.15909091       0.50000000       0.00000000 1.0 
      0.14772727       0.50000000       0.00000000 1.0 
      0.13636364       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.11363636       0.50000000       0.00000000 1.0 
      0.10227273       0.50000000       0.00000000 1.0 
      0.09090909       0.50000000       0.00000000 1.0 
      0.07954545       0.50000000       0.00000000 1.0 
      0.06818182       0.50000000       0.00000000 1.0 
      0.05681818       0.50000000       0.00000000 1.0 
      0.04545455       0.50000000       0.00000000 1.0 
      0.03409091       0.50000000       0.00000000 1.0 
      0.02272727       0.50000000       0.00000000 1.0 
      0.01136364       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50204976       0.02809985 1.0 
      0.00000000       0.50409952       0.05619969 1.0 
      0.00000000       0.50614928       0.08429954 1.0 
      0.00000000       0.50819904       0.11239939 1.0 
      0.00000000       0.51024880       0.14049924 1.0 
      0.00000000       0.51229856       0.16859908 1.0 
      0.00000000       0.51434832       0.19669893 1.0 
      0.00000000       0.51639808       0.22479878 1.0 
      0.00000000       0.51844784       0.25289863 1.0 
      0.00000000       0.52049760       0.28099847 1.0 
      0.00000000       0.52254736       0.30909832 1.0 
      0.00000000       0.52459712       0.33719817 1.0 
      0.00000000       0.52664688       0.36529802 1.0 
      0.00000000       0.52869664       0.39339786 1.0 
      0.50000000       0.47130336       0.60660214 1.0 
      0.50000000       0.45559325       0.60304873 1.0 
      0.50000000       0.43988314       0.59949533 1.0 
      0.50000000       0.42417303       0.59594192 1.0 
      0.50000000       0.40846292       0.59238852 1.0 
      0.50000000       0.39275280       0.58883511 1.0 
      0.50000000       0.37704269       0.58528171 1.0 
      0.50000000       0.36133258       0.58172830 1.0 
      0.50000000       0.34562247       0.57817490 1.0 
      0.50000000       0.32991235       0.57462150 1.0 
      0.50000000       0.31420224       0.57106809 1.0 
      0.50000000       0.29849213       0.56751469 1.0 
      0.50000000       0.28278202       0.56396128 1.0 
      0.50000000       0.26707191       0.56040788 1.0 
      0.50000000       0.25136179       0.55685447 1.0 
      0.50000000       0.23565168       0.55330107 1.0 
      0.50000000       0.21994157       0.54974766 1.0 
      0.50000000       0.20423146       0.54619426 1.0 
      0.50000000       0.18852135       0.54264085 1.0 
      0.50000000       0.17281123       0.53908745 1.0 
      0.50000000       0.15710112       0.53553405 1.0 
      0.50000000       0.14139101       0.53198064 1.0 
      0.50000000       0.12568090       0.52842724 1.0 
      0.50000000       0.10997078       0.52487383 1.0 
      0.50000000       0.09426067       0.52132043 1.0 
      0.50000000       0.07855056       0.51776702 1.0 
      0.50000000       0.06284045       0.51421362 1.0 
      0.50000000       0.04713034       0.51066021 1.0 
      0.50000000       0.03142022       0.50710681 1.0 
      0.50000000       0.01571011       0.50355340 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47222222 1.0 
      0.50000000       0.00000000       0.44444444 1.0 
      0.50000000       0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.38888889 1.0 
      0.50000000       0.00000000       0.36111111 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.30555556 1.0 
      0.50000000       0.00000000       0.27777778 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22222222 1.0 
      0.50000000       0.00000000       0.19444444 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.13888889 1.0 
      0.50000000       0.00000000       0.11111111 1.0 
      0.50000000       0.00000000       0.08333333 1.0 
      0.50000000       0.00000000       0.05555556 1.0 
      0.50000000       0.00000000       0.02777778 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01136364       0.00000000       0.50000000 1.0 
      0.02272727       0.00000000       0.50000000 1.0 
      0.03409091       0.00000000       0.50000000 1.0 
      0.04545455       0.00000000       0.50000000 1.0 
      0.05681818       0.00000000       0.50000000 1.0 
      0.06818182       0.00000000       0.50000000 1.0 
      0.07954545       0.00000000       0.50000000 1.0 
      0.09090909       0.00000000       0.50000000 1.0 
      0.10227273       0.00000000       0.50000000 1.0 
      0.11363636       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.13636364       0.00000000       0.50000000 1.0 
      0.14772727       0.00000000       0.50000000 1.0 
      0.15909091       0.00000000       0.50000000 1.0 
      0.17045455       0.00000000       0.50000000 1.0 
      0.18181818       0.00000000       0.50000000 1.0 
      0.19318182       0.00000000       0.50000000 1.0 
      0.20454545       0.00000000       0.50000000 1.0 
      0.21590909       0.00000000       0.50000000 1.0 
      0.22727273       0.00000000       0.50000000 1.0 
      0.23863636       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26136364       0.00000000       0.50000000 1.0 
      0.27272727       0.00000000       0.50000000 1.0 
      0.28409091       0.00000000       0.50000000 1.0 
      0.29545455       0.00000000       0.50000000 1.0 
      0.30681818       0.00000000       0.50000000 1.0 
      0.31818182       0.00000000       0.50000000 1.0 
      0.32954545       0.00000000       0.50000000 1.0 
      0.34090909       0.00000000       0.50000000 1.0 
      0.35227273       0.00000000       0.50000000 1.0 
      0.36363636       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.38636364       0.00000000       0.50000000 1.0 
      0.39772727       0.00000000       0.50000000 1.0 
      0.40909091       0.00000000       0.50000000 1.0 
      0.42045455       0.00000000       0.50000000 1.0 
      0.43181818       0.00000000       0.50000000 1.0 
      0.44318182       0.00000000       0.50000000 1.0 
      0.45454545       0.00000000       0.50000000 1.0 
      0.46590909       0.00000000       0.50000000 1.0 
      0.47727273       0.00000000       0.50000000 1.0 
      0.48863636       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

