! Pwscf input file created with pymatgen.py 
! Compound: HgS
&control
         calculation     = 'bands'
         prefix          = 'HgS'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.8169926592271750
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5000000000000003
         celldm(5)       =            0.5000000000000003
         celldm(6)       =            0.5000000000000001
         nat             =        2
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      416.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
356
      0.00000000       0.00000000       0.00000000 1.0 
      0.00925926       0.00000000       0.00925926 1.0 
      0.01851852       0.00000000       0.01851852 1.0 
      0.02777778       0.00000000       0.02777778 1.0 
      0.03703704       0.00000000       0.03703704 1.0 
      0.04629630       0.00000000       0.04629630 1.0 
      0.05555556       0.00000000       0.05555556 1.0 
      0.06481481       0.00000000       0.06481481 1.0 
      0.07407407       0.00000000       0.07407407 1.0 
      0.08333333       0.00000000       0.08333333 1.0 
      0.09259259       0.00000000       0.09259259 1.0 
      0.10185185       0.00000000       0.10185185 1.0 
      0.11111111       0.00000000       0.11111111 1.0 
      0.12037037       0.00000000       0.12037037 1.0 
      0.12962963       0.00000000       0.12962963 1.0 
      0.13888889       0.00000000       0.13888889 1.0 
      0.14814815       0.00000000       0.14814815 1.0 
      0.15740741       0.00000000       0.15740741 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.17592593       0.00000000       0.17592593 1.0 
      0.18518519       0.00000000       0.18518519 1.0 
      0.19444444       0.00000000       0.19444444 1.0 
      0.20370370       0.00000000       0.20370370 1.0 
      0.21296296       0.00000000       0.21296296 1.0 
      0.22222222       0.00000000       0.22222222 1.0 
      0.23148148       0.00000000       0.23148148 1.0 
      0.24074074       0.00000000       0.24074074 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.25925926       0.00000000       0.25925926 1.0 
      0.26851852       0.00000000       0.26851852 1.0 
      0.27777778       0.00000000       0.27777778 1.0 
      0.28703704       0.00000000       0.28703704 1.0 
      0.29629630       0.00000000       0.29629630 1.0 
      0.30555556       0.00000000       0.30555556 1.0 
      0.31481481       0.00000000       0.31481481 1.0 
      0.32407407       0.00000000       0.32407407 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.34259259       0.00000000       0.34259259 1.0 
      0.35185185       0.00000000       0.35185185 1.0 
      0.36111111       0.00000000       0.36111111 1.0 
      0.37037037       0.00000000       0.37037037 1.0 
      0.37962963       0.00000000       0.37962963 1.0 
      0.38888889       0.00000000       0.38888889 1.0 
      0.39814815       0.00000000       0.39814815 1.0 
      0.40740741       0.00000000       0.40740741 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.42592593       0.00000000       0.42592593 1.0 
      0.43518519       0.00000000       0.43518519 1.0 
      0.44444444       0.00000000       0.44444444 1.0 
      0.45370370       0.00000000       0.45370370 1.0 
      0.46296296       0.00000000       0.46296296 1.0 
      0.47222222       0.00000000       0.47222222 1.0 
      0.48148148       0.00000000       0.48148148 1.0 
      0.49074074       0.00000000       0.49074074 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00925926       0.50925926 1.0 
      0.50000000       0.01851852       0.51851852 1.0 
      0.50000000       0.02777778       0.52777778 1.0 
      0.50000000       0.03703704       0.53703704 1.0 
      0.50000000       0.04629630       0.54629630 1.0 
      0.50000000       0.05555556       0.55555556 1.0 
      0.50000000       0.06481481       0.56481481 1.0 
      0.50000000       0.07407407       0.57407407 1.0 
      0.50000000       0.08333333       0.58333333 1.0 
      0.50000000       0.09259259       0.59259259 1.0 
      0.50000000       0.10185185       0.60185185 1.0 
      0.50000000       0.11111111       0.61111111 1.0 
      0.50000000       0.12037037       0.62037037 1.0 
      0.50000000       0.12962963       0.62962963 1.0 
      0.50000000       0.13888889       0.63888889 1.0 
      0.50000000       0.14814815       0.64814815 1.0 
      0.50000000       0.15740741       0.65740741 1.0 
      0.50000000       0.16666667       0.66666667 1.0 
      0.50000000       0.17592593       0.67592593 1.0 
      0.50000000       0.18518519       0.68518519 1.0 
      0.50000000       0.19444444       0.69444444 1.0 
      0.50000000       0.20370370       0.70370370 1.0 
      0.50000000       0.21296296       0.71296296 1.0 
      0.50000000       0.22222222       0.72222222 1.0 
      0.50000000       0.23148148       0.73148148 1.0 
      0.50000000       0.24074074       0.74074074 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.49342105       0.25657895       0.75000000 1.0 
      0.48684211       0.26315789       0.75000000 1.0 
      0.48026316       0.26973684       0.75000000 1.0 
      0.47368421       0.27631579       0.75000000 1.0 
      0.46710526       0.28289474       0.75000000 1.0 
      0.46052632       0.28947368       0.75000000 1.0 
      0.45394737       0.29605263       0.75000000 1.0 
      0.44736842       0.30263158       0.75000000 1.0 
      0.44078947       0.30921053       0.75000000 1.0 
      0.43421053       0.31578947       0.75000000 1.0 
      0.42763158       0.32236842       0.75000000 1.0 
      0.42105263       0.32894737       0.75000000 1.0 
      0.41447368       0.33552632       0.75000000 1.0 
      0.40789474       0.34210526       0.75000000 1.0 
      0.40131579       0.34868421       0.75000000 1.0 
      0.39473684       0.35526316       0.75000000 1.0 
      0.38815789       0.36184211       0.75000000 1.0 
      0.38157895       0.36842105       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.36842105       0.36842105       0.73684211 1.0 
      0.36184211       0.36184211       0.72368421 1.0 
      0.35526316       0.35526316       0.71052632 1.0 
      0.34868421       0.34868421       0.69736842 1.0 
      0.34210526       0.34210526       0.68421053 1.0 
      0.33552632       0.33552632       0.67105263 1.0 
      0.32894737       0.32894737       0.65789474 1.0 
      0.32236842       0.32236842       0.64473684 1.0 
      0.31578947       0.31578947       0.63157895 1.0 
      0.30921053       0.30921053       0.61842105 1.0 
      0.30263158       0.30263158       0.60526316 1.0 
      0.29605263       0.29605263       0.59210526 1.0 
      0.28947368       0.28947368       0.57894737 1.0 
      0.28289474       0.28289474       0.56578947 1.0 
      0.27631579       0.27631579       0.55263158 1.0 
      0.26973684       0.26973684       0.53947368 1.0 
      0.26315789       0.26315789       0.52631579 1.0 
      0.25657895       0.25657895       0.51315789 1.0 
      0.25000000       0.25000000       0.50000000 1.0 
      0.24342105       0.24342105       0.48684211 1.0 
      0.23684211       0.23684211       0.47368421 1.0 
      0.23026316       0.23026316       0.46052632 1.0 
      0.22368421       0.22368421       0.44736842 1.0 
      0.21710526       0.21710526       0.43421053 1.0 
      0.21052632       0.21052632       0.42105263 1.0 
      0.20394737       0.20394737       0.40789474 1.0 
      0.19736842       0.19736842       0.39473684 1.0 
      0.19078947       0.19078947       0.38157895 1.0 
      0.18421053       0.18421053       0.36842105 1.0 
      0.17763158       0.17763158       0.35526316 1.0 
      0.17105263       0.17105263       0.34210526 1.0 
      0.16447368       0.16447368       0.32894737 1.0 
      0.15789474       0.15789474       0.31578947 1.0 
      0.15131579       0.15131579       0.30263158 1.0 
      0.14473684       0.14473684       0.28947368 1.0 
      0.13815789       0.13815789       0.27631579 1.0 
      0.13157895       0.13157895       0.26315789 1.0 
      0.12500000       0.12500000       0.25000000 1.0 
      0.11842105       0.11842105       0.23684211 1.0 
      0.11184211       0.11184211       0.22368421 1.0 
      0.10526316       0.10526316       0.21052632 1.0 
      0.09868421       0.09868421       0.19736842 1.0 
      0.09210526       0.09210526       0.18421053 1.0 
      0.08552632       0.08552632       0.17105263 1.0 
      0.07894737       0.07894737       0.15789474 1.0 
      0.07236842       0.07236842       0.14473684 1.0 
      0.06578947       0.06578947       0.13157895 1.0 
      0.05921053       0.05921053       0.11842105 1.0 
      0.05263158       0.05263158       0.10526316 1.0 
      0.04605263       0.04605263       0.09210526 1.0 
      0.03947368       0.03947368       0.07894737 1.0 
      0.03289474       0.03289474       0.06578947 1.0 
      0.02631579       0.02631579       0.05263158 1.0 
      0.01973684       0.01973684       0.03947368 1.0 
      0.01315789       0.01315789       0.02631579 1.0 
      0.00657895       0.00657895       0.01315789 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01063830       0.01063830       0.01063830 1.0 
      0.02127660       0.02127660       0.02127660 1.0 
      0.03191489       0.03191489       0.03191489 1.0 
      0.04255319       0.04255319       0.04255319 1.0 
      0.05319149       0.05319149       0.05319149 1.0 
      0.06382979       0.06382979       0.06382979 1.0 
      0.07446809       0.07446809       0.07446809 1.0 
      0.08510638       0.08510638       0.08510638 1.0 
      0.09574468       0.09574468       0.09574468 1.0 
      0.10638298       0.10638298       0.10638298 1.0 
      0.11702128       0.11702128       0.11702128 1.0 
      0.12765957       0.12765957       0.12765957 1.0 
      0.13829787       0.13829787       0.13829787 1.0 
      0.14893617       0.14893617       0.14893617 1.0 
      0.15957447       0.15957447       0.15957447 1.0 
      0.17021277       0.17021277       0.17021277 1.0 
      0.18085106       0.18085106       0.18085106 1.0 
      0.19148936       0.19148936       0.19148936 1.0 
      0.20212766       0.20212766       0.20212766 1.0 
      0.21276596       0.21276596       0.21276596 1.0 
      0.22340426       0.22340426       0.22340426 1.0 
      0.23404255       0.23404255       0.23404255 1.0 
      0.24468085       0.24468085       0.24468085 1.0 
      0.25531915       0.25531915       0.25531915 1.0 
      0.26595745       0.26595745       0.26595745 1.0 
      0.27659574       0.27659574       0.27659574 1.0 
      0.28723404       0.28723404       0.28723404 1.0 
      0.29787234       0.29787234       0.29787234 1.0 
      0.30851064       0.30851064       0.30851064 1.0 
      0.31914894       0.31914894       0.31914894 1.0 
      0.32978723       0.32978723       0.32978723 1.0 
      0.34042553       0.34042553       0.34042553 1.0 
      0.35106383       0.35106383       0.35106383 1.0 
      0.36170213       0.36170213       0.36170213 1.0 
      0.37234043       0.37234043       0.37234043 1.0 
      0.38297872       0.38297872       0.38297872 1.0 
      0.39361702       0.39361702       0.39361702 1.0 
      0.40425532       0.40425532       0.40425532 1.0 
      0.41489362       0.41489362       0.41489362 1.0 
      0.42553191       0.42553191       0.42553191 1.0 
      0.43617021       0.43617021       0.43617021 1.0 
      0.44680851       0.44680851       0.44680851 1.0 
      0.45744681       0.45744681       0.45744681 1.0 
      0.46808511       0.46808511       0.46808511 1.0 
      0.47872340       0.47872340       0.47872340 1.0 
      0.48936170       0.48936170       0.48936170 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50378788       0.49242424       0.50378788 1.0 
      0.50757576       0.48484848       0.50757576 1.0 
      0.51136364       0.47727273       0.51136364 1.0 
      0.51515152       0.46969697       0.51515152 1.0 
      0.51893939       0.46212121       0.51893939 1.0 
      0.52272727       0.45454545       0.52272727 1.0 
      0.52651515       0.44696970       0.52651515 1.0 
      0.53030303       0.43939394       0.53030303 1.0 
      0.53409091       0.43181818       0.53409091 1.0 
      0.53787879       0.42424242       0.53787879 1.0 
      0.54166667       0.41666667       0.54166667 1.0 
      0.54545455       0.40909091       0.54545455 1.0 
      0.54924242       0.40151515       0.54924242 1.0 
      0.55303030       0.39393939       0.55303030 1.0 
      0.55681818       0.38636364       0.55681818 1.0 
      0.56060606       0.37878788       0.56060606 1.0 
      0.56439394       0.37121212       0.56439394 1.0 
      0.56818182       0.36363636       0.56818182 1.0 
      0.57196970       0.35606061       0.57196970 1.0 
      0.57575758       0.34848485       0.57575758 1.0 
      0.57954545       0.34090909       0.57954545 1.0 
      0.58333333       0.33333333       0.58333333 1.0 
      0.58712121       0.32575758       0.58712121 1.0 
      0.59090909       0.31818182       0.59090909 1.0 
      0.59469697       0.31060606       0.59469697 1.0 
      0.59848485       0.30303030       0.59848485 1.0 
      0.60227273       0.29545455       0.60227273 1.0 
      0.60606061       0.28787879       0.60606061 1.0 
      0.60984848       0.28030303       0.60984848 1.0 
      0.61363636       0.27272727       0.61363636 1.0 
      0.61742424       0.26515152       0.61742424 1.0 
      0.62121212       0.25757576       0.62121212 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
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      0.61842105       0.25000000       0.63157895 1.0 
      0.61184211       0.25000000       0.63815789 1.0 
      0.60526316       0.25000000       0.64473684 1.0 
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      0.59210526       0.25000000       0.65789474 1.0 
      0.58552632       0.25000000       0.66447368 1.0 
      0.57894737       0.25000000       0.67105263 1.0 
      0.57236842       0.25000000       0.67763158 1.0 
      0.56578947       0.25000000       0.68421053 1.0 
      0.55921053       0.25000000       0.69078947 1.0 
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      0.53947368       0.25000000       0.71052632 1.0 
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      0.52631579       0.25000000       0.72368421 1.0 
      0.51973684       0.25000000       0.73026316 1.0 
      0.51315789       0.25000000       0.73684211 1.0 
      0.50657895       0.25000000       0.74342105 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
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      0.50000000       0.26315789       0.73684211 1.0 
      0.50000000       0.26973684       0.73026316 1.0 
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      0.50000000       0.28289474       0.71710526 1.0 
      0.50000000       0.28947368       0.71052632 1.0 
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      0.50000000       0.30921053       0.69078947 1.0 
      0.50000000       0.31578947       0.68421053 1.0 
      0.50000000       0.32236842       0.67763158 1.0 
      0.50000000       0.32894737       0.67105263 1.0 
      0.50000000       0.33552632       0.66447368 1.0 
      0.50000000       0.34210526       0.65789474 1.0 
      0.50000000       0.34868421       0.65131579 1.0 
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      0.50000000       0.36184211       0.63815789 1.0 
      0.50000000       0.36842105       0.63157895 1.0 
      0.50000000       0.37500000       0.62500000 1.0 
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      0.50000000       0.38815789       0.61184211 1.0 
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      0.48863636       0.48863636       0.52272727 1.0 
      0.48484848       0.48484848       0.53030303 1.0 
      0.48106061       0.48106061       0.53787879 1.0 
      0.47727273       0.47727273       0.54545455 1.0 
      0.47348485       0.47348485       0.55303030 1.0 
      0.46969697       0.46969697       0.56060606 1.0 
      0.46590909       0.46590909       0.56818182 1.0 
      0.46212121       0.46212121       0.57575758 1.0 
      0.45833333       0.45833333       0.58333333 1.0 
      0.45454545       0.45454545       0.59090909 1.0 
      0.45075758       0.45075758       0.59848485 1.0 
      0.44696970       0.44696970       0.60606061 1.0 
      0.44318182       0.44318182       0.61363636 1.0 
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      0.43560606       0.43560606       0.62878788 1.0 
      0.43181818       0.43181818       0.63636364 1.0 
      0.42803030       0.42803030       0.64393939 1.0 
      0.42424242       0.42424242       0.65151515 1.0 
      0.42045455       0.42045455       0.65909091 1.0 
      0.41666667       0.41666667       0.66666667 1.0 
      0.41287879       0.41287879       0.67424242 1.0 
      0.40909091       0.40909091       0.68181818 1.0 
      0.40530303       0.40530303       0.68939394 1.0 
      0.40151515       0.40151515       0.69696970 1.0 
      0.39772727       0.39772727       0.70454545 1.0 
      0.39393939       0.39393939       0.71212121 1.0 
      0.39015152       0.39015152       0.71969697 1.0 
      0.38636364       0.38636364       0.72727273 1.0 
      0.38257576       0.38257576       0.73484848 1.0 
      0.37878788       0.37878788       0.74242424 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61842105       0.23684211       0.61842105 1.0 
      0.61184211       0.22368421       0.61184211 1.0 
      0.60526316       0.21052632       0.60526316 1.0 
      0.59868421       0.19736842       0.59868421 1.0 
      0.59210526       0.18421053       0.59210526 1.0 
      0.58552632       0.17105263       0.58552632 1.0 
      0.57894737       0.15789474       0.57894737 1.0 
      0.57236842       0.14473684       0.57236842 1.0 
      0.56578947       0.13157895       0.56578947 1.0 
      0.55921053       0.11842105       0.55921053 1.0 
      0.55263158       0.10526316       0.55263158 1.0 
      0.54605263       0.09210526       0.54605263 1.0 
      0.53947368       0.07894737       0.53947368 1.0 
      0.53289474       0.06578947       0.53289474 1.0 
      0.52631579       0.05263158       0.52631579 1.0 
      0.51973684       0.03947368       0.51973684 1.0 
      0.51315789       0.02631579       0.51315789 1.0 
      0.50657895       0.01315789       0.50657895 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

