! Pwscf input file created with ciftopw.py 
! Compound: Tl2SiHgSe4
&control
         calculation     = 'bands'
         prefix          = 'Tl2SiHgSe4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.4216400865002541
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.2587970603027424
         celldm(5)       =           -0.2587970603027424
         celldm(6)       =           -0.4824058793945153
         nat             =        8
         ntyp            =        4
         ecutwfc         =       45.00000000
         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
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.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
256
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01785714 1.0 
      0.00000000       0.00000000       0.03571429 1.0 
      0.00000000       0.00000000       0.05357143 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
     -0.00000000       0.00000000       0.08928571 1.0 
      0.00000000       0.00000000       0.10714286 1.0 
     -0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.16071429 1.0 
     -0.00000000       0.00000000       0.17857143 1.0 
     -0.00000000       0.00000000       0.19642857 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
     -0.00000000       0.00000000       0.23214286 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26785714 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.30357143 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
     -0.00000000       0.00000000       0.33928571 1.0 
     -0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
     -0.00000000       0.00000000       0.39285714 1.0 
     -0.00000000       0.00000000       0.41071429 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
     -0.00000000       0.00000000       0.44642857 1.0 
     -0.00000000       0.00000000       0.46428571 1.0 
     -0.00000000       0.00000000       0.48214286 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.01785714       0.01785714       0.50000000 1.0 
     -0.03571429       0.03571429       0.50000000 1.0 
     -0.05357143       0.05357143       0.50000000 1.0 
     -0.07142857       0.07142857       0.50000000 1.0 
     -0.08928571       0.08928571       0.50000000 1.0 
     -0.10714286       0.10714286       0.50000000 1.0 
     -0.12500000       0.12500000       0.50000000 1.0 
     -0.14285714       0.14285714       0.50000000 1.0 
     -0.16071429       0.16071429       0.50000000 1.0 
     -0.17857143       0.17857143       0.50000000 1.0 
     -0.19642857       0.19642857       0.50000000 1.0 
     -0.21428571       0.21428571       0.50000000 1.0 
     -0.23214286       0.23214286       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.26785714       0.26785714       0.50000000 1.0 
     -0.28571429       0.28571429       0.50000000 1.0 
     -0.30357143       0.30357143       0.50000000 1.0 
     -0.32142857       0.32142857       0.50000000 1.0 
     -0.33928571       0.33928571       0.50000000 1.0 
     -0.35714286       0.35714286       0.50000000 1.0 
     -0.37500000       0.37500000       0.50000000 1.0 
     -0.39285714       0.39285714       0.50000000 1.0 
     -0.41071429       0.41071429       0.50000000 1.0 
     -0.42857143       0.42857143       0.50000000 1.0 
     -0.44642857       0.44642857       0.50000000 1.0 
     -0.46428571       0.46428571       0.50000000 1.0 
     -0.48214286       0.48214286       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.48750000       0.48750000       0.48750000 1.0 
     -0.47500000       0.47500000       0.47500000 1.0 
     -0.46250000       0.46250000       0.46250000 1.0 
     -0.45000000       0.45000000       0.45000000 1.0 
     -0.43750000       0.43750000       0.43750000 1.0 
     -0.42500000       0.42500000       0.42500000 1.0 
     -0.41250000       0.41250000       0.41250000 1.0 
     -0.40000000       0.40000000       0.40000000 1.0 
     -0.38750000       0.38750000       0.38750000 1.0 
     -0.37500000       0.37500000       0.37500000 1.0 
     -0.36250000       0.36250000       0.36250000 1.0 
     -0.35000000       0.35000000       0.35000000 1.0 
     -0.33750000       0.33750000       0.33750000 1.0 
     -0.32500000       0.32500000       0.32500000 1.0 
     -0.31250000       0.31250000       0.31250000 1.0 
     -0.30000000       0.30000000       0.30000000 1.0 
     -0.28750000       0.28750000       0.28750000 1.0 
     -0.27500000       0.27500000       0.27500000 1.0 
     -0.26250000       0.26250000       0.26250000 1.0 
     -0.25000000       0.25000000       0.25000000 1.0 
     -0.23750000       0.23750000       0.23750000 1.0 
     -0.22500000       0.22500000       0.22500000 1.0 
     -0.21250000       0.21250000       0.21250000 1.0 
     -0.20000000       0.20000000       0.20000000 1.0 
     -0.18750000       0.18750000       0.18750000 1.0 
     -0.17500000       0.17500000       0.17500000 1.0 
     -0.16250000       0.16250000       0.16250000 1.0 
     -0.15000000       0.15000000       0.15000000 1.0 
     -0.13750000       0.13750000       0.13750000 1.0 
     -0.12500000       0.12500000       0.12500000 1.0 
     -0.11250000       0.11250000       0.11250000 1.0 
     -0.10000000       0.10000000       0.10000000 1.0 
     -0.08750000       0.08750000       0.08750000 1.0 
     -0.07500000       0.07500000       0.07500000 1.0 
     -0.06250000       0.06250000       0.06250000 1.0 
     -0.05000000       0.05000000       0.05000000 1.0 
     -0.03750000       0.03750000       0.03750000 1.0 
     -0.02500000       0.02500000       0.02500000 1.0 
     -0.01250000       0.01250000       0.01250000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01061448       0.01061448      -0.01061448 1.0 
      0.02122895       0.02122895      -0.02122895 1.0 
      0.03184343       0.03184343      -0.03184343 1.0 
      0.04245791       0.04245791      -0.04245791 1.0 
      0.05307239       0.05307239      -0.05307239 1.0 
      0.06368686       0.06368686      -0.06368686 1.0 
      0.07430134       0.07430134      -0.07430134 1.0 
      0.08491582       0.08491582      -0.08491582 1.0 
      0.09553029       0.09553029      -0.09553029 1.0 
      0.10614477       0.10614477      -0.10614477 1.0 
      0.11675925       0.11675925      -0.11675925 1.0 
      0.12737373       0.12737373      -0.12737373 1.0 
      0.13798820       0.13798820      -0.13798820 1.0 
      0.14860268       0.14860268      -0.14860268 1.0 
      0.15921716       0.15921716      -0.15921716 1.0 
      0.16983163       0.16983163      -0.16983163 1.0 
      0.18044611       0.18044611      -0.18044611 1.0 
      0.19106059       0.19106059      -0.19106059 1.0 
      0.20167506       0.20167506      -0.20167506 1.0 
      0.21228954       0.21228954      -0.21228954 1.0 
      0.22290402       0.22290402      -0.22290402 1.0 
      0.23351850       0.23351850      -0.23351850 1.0 
      0.24413297       0.24413297      -0.24413297 1.0 
      0.25474745       0.25474745      -0.25474745 1.0 
      0.26536193       0.26536193      -0.26536193 1.0 
      0.27597640       0.27597640      -0.27597640 1.0 
      0.28659088       0.28659088      -0.28659088 1.0 
      0.29720536       0.29720536      -0.29720536 1.0 
      0.30781984       0.30781984      -0.30781984 1.0 
      0.31843431       0.31843431      -0.31843431 1.0 
      0.32904879       0.32904879      -0.32904879 1.0 
      0.33966327       0.33966327      -0.33966327 1.0 
      0.35027774       0.35027774      -0.35027774 1.0 
      0.36089222       0.36089222      -0.36089222 1.0 
      0.37150670       0.37150670      -0.37150670 1.0 
      0.38212118       0.38212118      -0.38212118 1.0 
      0.39273565       0.39273565      -0.39273565 1.0 
      0.40335013       0.40335013      -0.40335013 1.0 
      0.41396461       0.41396461      -0.41396461 1.0 
      0.42457908       0.42457908      -0.42457908 1.0 
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      0.41928881       0.41928881      -0.40413729 1.0 
      0.41399853       0.41399853      -0.38369550 1.0 
      0.40870826       0.40870826      -0.36325371 1.0 
      0.40341798       0.40341798      -0.34281192 1.0 
      0.39812771       0.39812771      -0.32237013 1.0 
      0.39283743       0.39283743      -0.30192834 1.0 
      0.38754716       0.38754716      -0.28148655 1.0 
      0.38225688       0.38225688      -0.26104476 1.0 
      0.37696661       0.37696661      -0.24060297 1.0 
      0.37167633       0.37167633      -0.22016118 1.0 
      0.36638606       0.36638606      -0.19971939 1.0 
      0.36109578       0.36109578      -0.17927760 1.0 
      0.35580551       0.35580551      -0.15883581 1.0 
      0.35051523       0.35051523      -0.13839402 1.0 
      0.34522495       0.34522495      -0.11795223 1.0 
      0.33993468       0.33993468      -0.09751044 1.0 
      0.33464440       0.33464440      -0.07706865 1.0 
      0.32935413       0.32935413      -0.05662686 1.0 
      0.32406385       0.32406385      -0.03618507 1.0 
      0.31877358       0.31877358      -0.01574328 1.0 
      0.31348330       0.31348330       0.00469851 1.0 
      0.30819303       0.30819303       0.02514031 1.0 
      0.30290275       0.30290275       0.04558210 1.0 
      0.29761248       0.29761248       0.06602389 1.0 
      0.29232220       0.29232220       0.08646568 1.0 
      0.28703193       0.28703193       0.10690747 1.0 
      0.28174165       0.28174165       0.12734926 1.0 
      0.27645138       0.27645138       0.14779105 1.0 
      0.27116110       0.27116110       0.16823284 1.0 
      0.26587083       0.26587083       0.18867463 1.0 
      0.26058055       0.26058055       0.20911642 1.0 
      0.25529028       0.25529028       0.22955821 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23750000       0.26250000       0.23750000 1.0 
      0.22500000       0.27500000       0.22500000 1.0 
      0.21250000       0.28750000       0.21250000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.17500000       0.32500000       0.17500000 1.0 
      0.16250000       0.33750000       0.16250000 1.0 
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      0.13750000       0.36250000       0.13750000 1.0 
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      0.11250000       0.38750000       0.11250000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
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      0.07500000       0.42500000       0.07500000 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.03750000       0.46250000       0.03750000 1.0 
      0.02500000       0.47500000       0.02500000 1.0 
      0.01250000       0.48750000       0.01250000 1.0 
     -0.00000000       0.50000000      -0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.01632996       0.50290080       0.01632996 1.0 
     -0.03265993       0.50580161       0.03265993 1.0 
     -0.04898989       0.50870241       0.04898989 1.0 
     -0.06531986       0.51160322       0.06531986 1.0 
     -0.08164982       0.51450402       0.08164982 1.0 
     -0.09797979       0.51740483       0.09797979 1.0 
     -0.11430975       0.52030563       0.11430975 1.0 
     -0.13063972       0.52320644       0.13063972 1.0 
     -0.14696968       0.52610724       0.14696968 1.0 
     -0.16329965       0.52900804       0.16329965 1.0 
     -0.17962961       0.53190885       0.17962961 1.0 
     -0.19595958       0.53480965       0.19595958 1.0 
     -0.21228954       0.53771046       0.21228954 1.0 
     -0.22861951       0.54061126       0.22861951 1.0 
     -0.24494947       0.54351207       0.24494947 1.0 
     -0.26127944       0.54641287       0.26127944 1.0 
     -0.27760940       0.54931368       0.27760940 1.0 
     -0.29393937       0.55221448       0.29393937 1.0 
     -0.31026933       0.55511528       0.31026933 1.0 
     -0.32659930       0.55801609       0.32659930 1.0 
     -0.34292926       0.56091689       0.34292926 1.0 
     -0.35925922       0.56381770       0.35925922 1.0 
     -0.37558919       0.56671850       0.37558919 1.0 
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     -0.40824912       0.57252011       0.40824912 1.0 
     -0.42457908       0.57542092       0.42457908 1.0 
     -0.42457908       0.57542092       0.42457908 1.0 
     -0.43400670       0.56599330       0.43400670 1.0 
     -0.44343431       0.55656569       0.44343431 1.0 
     -0.45286193       0.54713807       0.45286193 1.0 
     -0.46228954       0.53771046       0.46228954 1.0 
     -0.47171716       0.52828284       0.47171716 1.0 
     -0.48114477       0.51885523       0.48114477 1.0 
     -0.49057239       0.50942761       0.49057239 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01041667       0.01041667       0.48958333 1.0 
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      0.04166667       0.04166667       0.45833333 1.0 
      0.05208333       0.05208333       0.44791667 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
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      0.14583333       0.14583333       0.35416667 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
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      0.23958333       0.23958333       0.26041667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

