! Pwscf input file created with ciftopw.py 
! Compound: HgS
&control
         calculation     = 'bands'
         prefix          = 'HgS'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.5090713957439563
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.4546298016432616
         celldm(5)       =            0.4546298016432616
         celldm(6)       =            0.4546298016432618
         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-05 
         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
349
      0.00000000       0.00000000       0.00000000 1.0 
      0.01063830       0.00000000       0.00000000 1.0 
      0.02127660       0.00000000       0.00000000 1.0 
      0.03191489       0.00000000       0.00000000 1.0 
      0.04255319       0.00000000       0.00000000 1.0 
      0.05319149       0.00000000       0.00000000 1.0 
      0.06382979       0.00000000       0.00000000 1.0 
      0.07446809      -0.00000000       0.00000000 1.0 
      0.08510638       0.00000000       0.00000000 1.0 
      0.09574468      -0.00000000       0.00000000 1.0 
      0.10638298       0.00000000       0.00000000 1.0 
      0.11702128       0.00000000       0.00000000 1.0 
      0.12765957       0.00000000       0.00000000 1.0 
      0.13829787       0.00000000       0.00000000 1.0 
      0.14893617      -0.00000000       0.00000000 1.0 
      0.15957447       0.00000000       0.00000000 1.0 
      0.17021277       0.00000000       0.00000000 1.0 
      0.18085106       0.00000000       0.00000000 1.0 
      0.19148936      -0.00000000       0.00000000 1.0 
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      0.22340426       0.00000000       0.00000000 1.0 
      0.23404255       0.00000000       0.00000000 1.0 
      0.24468085       0.00000000       0.00000000 1.0 
      0.25531915       0.00000000       0.00000000 1.0 
      0.26595745      -0.00000000       0.00000000 1.0 
      0.27659574       0.00000000       0.00000000 1.0 
      0.28723404       0.00000000       0.00000000 1.0 
      0.29787234      -0.00000000       0.00000000 1.0 
      0.30851064       0.00000000       0.00000000 1.0 
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      0.34042553       0.00000000       0.00000000 1.0 
      0.35106383       0.00000000       0.00000000 1.0 
      0.36170213       0.00000000       0.00000000 1.0 
      0.37234043      -0.00000000       0.00000000 1.0 
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      0.41489362      -0.00000000       0.00000000 1.0 
      0.42553191       0.00000000       0.00000000 1.0 
      0.43617021      -0.00000000       0.00000000 1.0 
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      0.47872340      -0.00000000       0.00000000 1.0 
      0.48936170       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.01964112      -0.01964112 1.0 
      0.50000000       0.02618816      -0.02618816 1.0 
      0.50000000       0.03273520      -0.03273520 1.0 
      0.50000000       0.03928224      -0.03928224 1.0 
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      0.50000000       0.06547041      -0.06547041 1.0 
      0.50000000       0.07201745      -0.07201745 1.0 
      0.50000000       0.07856449      -0.07856449 1.0 
      0.50000000       0.08511153      -0.08511153 1.0 
      0.50000000       0.09165857      -0.09165857 1.0 
      0.50000000       0.09820561      -0.09820561 1.0 
      0.50000000       0.10475265      -0.10475265 1.0 
      0.50000000       0.11129969      -0.11129969 1.0 
      0.50000000       0.11784673      -0.11784673 1.0 
      0.50000000       0.12439377      -0.12439377 1.0 
      0.50000000       0.13094081      -0.13094081 1.0 
      0.50000000       0.13748785      -0.13748785 1.0 
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      0.73168275       0.50000000       0.26831725 1.0 
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      0.71237585       0.50000000       0.28762415 1.0 
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      0.69306896       0.50000000       0.30693104 1.0 
      0.68663332       0.50000000       0.31336668 1.0 
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      0.67376206       0.50000000       0.32623794 1.0 
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      0.66089080       0.50000000       0.33910920 1.0 
      0.65445516       0.50000000       0.34554484 1.0 
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      0.64158390       0.50000000       0.35841610 1.0 
      0.63514827       0.50000000       0.36485173 1.0 
      0.62871264       0.50000000       0.37128736 1.0 
      0.62227701       0.50000000       0.37772299 1.0 
      0.61584137       0.50000000       0.38415863 1.0 
      0.60940574       0.50000000       0.39059426 1.0 
      0.60297011       0.50000000       0.39702989 1.0 
      0.59653448       0.50000000       0.40346552 1.0 
      0.59009885       0.50000000       0.40990115 1.0 
      0.58366321       0.50000000       0.41633679 1.0 
      0.57722758       0.50000000       0.42277242 1.0 
      0.57079195       0.50000000       0.42920805 1.0 
      0.56435632       0.50000000       0.43564368 1.0 
      0.55792069       0.50000000       0.44207931 1.0 
      0.55148505       0.50000000       0.44851495 1.0 
      0.54504942       0.50000000       0.45495058 1.0 
      0.53861379       0.50000000       0.46138621 1.0 
      0.53217816       0.50000000       0.46782184 1.0 
      0.52574253       0.50000000       0.47425747 1.0 
      0.51930690       0.50000000       0.48069310 1.0 
      0.51287126       0.50000000       0.48712874 1.0 
      0.50643563       0.50000000       0.49356437 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49000000       0.49000000       0.49000000 1.0 
      0.48000000       0.48000000       0.48000000 1.0 
      0.47000000       0.47000000       0.47000000 1.0 
      0.46000000       0.46000000       0.46000000 1.0 
      0.45000000       0.45000000       0.45000000 1.0 
      0.44000000       0.44000000       0.44000000 1.0 
      0.43000000       0.43000000       0.43000000 1.0 
      0.42000000       0.42000000       0.42000000 1.0 
      0.41000000       0.41000000       0.41000000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.39000000       0.39000000       0.39000000 1.0 
      0.38000000       0.38000000       0.38000000 1.0 
      0.37000000       0.37000000       0.37000000 1.0 
      0.36000000       0.36000000       0.36000000 1.0 
      0.35000000       0.35000000       0.35000000 1.0 
      0.34000000       0.34000000       0.34000000 1.0 
      0.33000000       0.33000000       0.33000000 1.0 
      0.32000000       0.32000000       0.32000000 1.0 
      0.31000000       0.31000000       0.31000000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.29000000       0.29000000       0.29000000 1.0 
      0.28000000       0.28000000       0.28000000 1.0 
      0.27000000       0.27000000       0.27000000 1.0 
      0.26000000       0.26000000       0.26000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.23000000       0.23000000       0.23000000 1.0 
      0.22000000       0.22000000       0.22000000 1.0 
      0.21000000       0.21000000       0.21000000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.19000000       0.19000000       0.19000000 1.0 
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      0.10000000       0.10000000       0.10000000 1.0 
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      0.00656795       0.00000000      -0.00656795 1.0 
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      0.69843198       0.31745068       0.31745068 1.0 
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      0.71166078       0.33861405       0.33861405 1.0 
      0.71827518       0.34919574       0.34919574 1.0 
      0.72488958       0.35977743       0.35977743 1.0 
      0.73150398       0.37035912       0.37035912 1.0 
      0.73811838       0.38094081       0.38094081 1.0 

