! Pwscf input file created with pymatgen.py 
! Compound: Ga2HgS4
&control
         calculation     = 'bands'
         prefix          = 'Ga2HgS4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1313165339785218
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.6313204813587898
         celldm(5)       =           -0.6313204813587898
         celldm(6)       =            0.2626409627175793
         nat             =        7
         ntyp            =        3
         ecutwfc         =       44.00000000
         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 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
286
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01219512 1.0 
      0.00000000      -0.00000000       0.02439024 1.0 
      0.00000000      -0.00000000       0.03658537 1.0 
      0.00000000      -0.00000000       0.04878049 1.0 
      0.00000000      -0.00000000       0.06097561 1.0 
      0.00000000      -0.00000000       0.07317073 1.0 
      0.00000000      -0.00000000       0.08536585 1.0 
      0.00000000      -0.00000000       0.09756098 1.0 
      0.00000000      -0.00000000       0.10975610 1.0 
      0.00000000      -0.00000000       0.12195122 1.0 
      0.00000000      -0.00000000       0.13414634 1.0 
      0.00000000      -0.00000000       0.14634146 1.0 
      0.00000000      -0.00000000       0.15853659 1.0 
      0.00000000      -0.00000000       0.17073171 1.0 
      0.00000000      -0.00000000       0.18292683 1.0 
      0.00000000      -0.00000000       0.19512195 1.0 
      0.00000000      -0.00000000       0.20731707 1.0 
      0.00000000      -0.00000000       0.21951220 1.0 
      0.00000000      -0.00000000       0.23170732 1.0 
      0.00000000      -0.00000000       0.24390244 1.0 
      0.00000000      -0.00000000       0.25609756 1.0 
      0.00000000      -0.00000000       0.26829268 1.0 
      0.00000000      -0.00000000       0.28048780 1.0 
      0.00000000      -0.00000000       0.29268293 1.0 
      0.00000000      -0.00000000       0.30487805 1.0 
      0.00000000      -0.00000000       0.31707317 1.0 
      0.00000000      -0.00000000       0.32926829 1.0 
      0.00000000      -0.00000000       0.34146341 1.0 
      0.00000000      -0.00000000       0.35365854 1.0 
      0.00000000      -0.00000000       0.36585366 1.0 
      0.00000000      -0.00000000       0.37804878 1.0 
      0.00000000      -0.00000000       0.39024390 1.0 
      0.00000000      -0.00000000       0.40243902 1.0 
      0.00000000      -0.00000000       0.41463415 1.0 
      0.00000000      -0.00000000       0.42682927 1.0 
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      0.00000000      -0.00000000       0.46341463 1.0 
      0.00000000      -0.00000000       0.47560976 1.0 
      0.00000000      -0.00000000       0.48780488 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01216628       0.01216628       0.50000000 1.0 
     -0.02433256       0.02433256       0.50000000 1.0 
     -0.03649885       0.03649885       0.50000000 1.0 
     -0.04866513       0.04866513       0.50000000 1.0 
     -0.06083141       0.06083141       0.50000000 1.0 
     -0.07299769       0.07299769       0.50000000 1.0 
     -0.08516398       0.08516398       0.50000000 1.0 
     -0.09733026       0.09733026       0.50000000 1.0 
     -0.10949654       0.10949654       0.50000000 1.0 
     -0.12166282       0.12166282       0.50000000 1.0 
     -0.13382911       0.13382911       0.50000000 1.0 
     -0.14599539       0.14599539       0.50000000 1.0 
     -0.14599539       0.14599539       0.50000000 1.0 
     -0.15442407       0.15442407       0.49157132 1.0 
     -0.16285275       0.16285275       0.48314264 1.0 
     -0.17128143       0.17128143       0.47471396 1.0 
     -0.17971011       0.17971011       0.46628528 1.0 
     -0.18813880       0.18813880       0.45785659 1.0 
     -0.19656748       0.19656748       0.44942791 1.0 
     -0.20499616       0.20499616       0.44099923 1.0 
     -0.21342484       0.21342484       0.43257055 1.0 
     -0.22185352       0.22185352       0.42414187 1.0 
     -0.23028220       0.23028220       0.41571319 1.0 
     -0.23871088       0.23871088       0.40728451 1.0 
     -0.24713956       0.24713956       0.39885583 1.0 
     -0.25556825       0.25556825       0.39042714 1.0 
     -0.26399693       0.26399693       0.38199846 1.0 
     -0.27242561       0.27242561       0.37356978 1.0 
     -0.28085429       0.28085429       0.36514110 1.0 
     -0.28928297       0.28928297       0.35671242 1.0 
     -0.29771165       0.29771165       0.34828374 1.0 
     -0.30614033       0.30614033       0.33985506 1.0 
     -0.31456901       0.31456901       0.33142638 1.0 
     -0.32299769       0.32299769       0.32299769 1.0 
     -0.32299769       0.32299769       0.32299769 1.0 
     -0.31426803       0.31426803       0.31426803 1.0 
     -0.30553836       0.30553836       0.30553836 1.0 
     -0.29680869       0.29680869       0.29680869 1.0 
     -0.28807903       0.28807903       0.28807903 1.0 
     -0.27934936       0.27934936       0.27934936 1.0 
     -0.27061969       0.27061969       0.27061969 1.0 
     -0.26189002       0.26189002       0.26189002 1.0 
     -0.25316036       0.25316036       0.25316036 1.0 
     -0.24443069       0.24443069       0.24443069 1.0 
     -0.23570102       0.23570102       0.23570102 1.0 
     -0.22697135       0.22697135       0.22697135 1.0 
     -0.21824169       0.21824169       0.21824169 1.0 
     -0.20951202       0.20951202       0.20951202 1.0 
     -0.20078235       0.20078235       0.20078235 1.0 
     -0.19205268       0.19205268       0.19205268 1.0 
     -0.18332302       0.18332302       0.18332302 1.0 
     -0.17459335       0.17459335       0.17459335 1.0 
     -0.16586368       0.16586368       0.16586368 1.0 
     -0.15713401       0.15713401       0.15713401 1.0 
     -0.14840435       0.14840435       0.14840435 1.0 
     -0.13967468       0.13967468       0.13967468 1.0 
     -0.13094501       0.13094501       0.13094501 1.0 
     -0.12221534       0.12221534       0.12221534 1.0 
     -0.11348568       0.11348568       0.11348568 1.0 
     -0.10475601       0.10475601       0.10475601 1.0 
     -0.09602634       0.09602634       0.09602634 1.0 
     -0.08729667       0.08729667       0.08729667 1.0 
     -0.07856701       0.07856701       0.07856701 1.0 
     -0.06983734       0.06983734       0.06983734 1.0 
     -0.06110767       0.06110767       0.06110767 1.0 
     -0.05237800       0.05237800       0.05237800 1.0 
     -0.04364834       0.04364834       0.04364834 1.0 
     -0.03491867       0.03491867       0.03491867 1.0 
     -0.02618900       0.02618900       0.02618900 1.0 
     -0.01745933       0.01745933       0.01745933 1.0 
     -0.00872967       0.00872967       0.00872967 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.01612903      -0.01612903 1.0 
      0.03225806       0.03225806      -0.03225806 1.0 
      0.04838710       0.04838710      -0.04838710 1.0 
      0.06451613       0.06451613      -0.06451613 1.0 
      0.08064516       0.08064516      -0.08064516 1.0 
      0.09677419       0.09677419      -0.09677419 1.0 
      0.11290323       0.11290323      -0.11290323 1.0 
      0.12903226       0.12903226      -0.12903226 1.0 
      0.14516129       0.14516129      -0.14516129 1.0 
      0.16129032       0.16129032      -0.16129032 1.0 
      0.17741935       0.17741935      -0.17741935 1.0 
      0.19354839       0.19354839      -0.19354839 1.0 
      0.20967742       0.20967742      -0.20967742 1.0 
      0.22580645       0.22580645      -0.22580645 1.0 
      0.24193548       0.24193548      -0.24193548 1.0 
      0.25806452       0.25806452      -0.25806452 1.0 
      0.27419355       0.27419355      -0.27419355 1.0 
      0.29032258       0.29032258      -0.29032258 1.0 
      0.30645161       0.30645161      -0.30645161 1.0 
      0.32258065       0.32258065      -0.32258065 1.0 
      0.33870968       0.33870968      -0.33870968 1.0 
      0.35483871       0.35483871      -0.35483871 1.0 
      0.37096774       0.37096774      -0.37096774 1.0 
      0.38709677       0.38709677      -0.38709677 1.0 
      0.40322581       0.40322581      -0.40322581 1.0 
      0.41935484       0.41935484      -0.41935484 1.0 
      0.43548387       0.43548387      -0.43548387 1.0 
      0.45161290       0.45161290      -0.45161290 1.0 
      0.46774194       0.46774194      -0.46774194 1.0 
      0.48387097       0.48387097      -0.48387097 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
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      0.49157132       0.50842868      -0.49157132 1.0 
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      0.47471396       0.52528604      -0.47471396 1.0 
      0.46628528       0.53371472      -0.46628528 1.0 
      0.45785659       0.54214341      -0.45785659 1.0 
      0.44942791       0.55057209      -0.44942791 1.0 
      0.44099923       0.55900077      -0.44099923 1.0 
      0.43257055       0.56742945      -0.43257055 1.0 
      0.42414187       0.57585813      -0.42414187 1.0 
      0.41571319       0.58428681      -0.41571319 1.0 
      0.40728451       0.59271549      -0.40728451 1.0 
      0.39885583       0.60114417      -0.39885583 1.0 
      0.39042714       0.60957286      -0.39042714 1.0 
      0.38199846       0.61800154      -0.38199846 1.0 
      0.37356978       0.62643022      -0.37356978 1.0 
      0.36514110       0.63485890      -0.36514110 1.0 
      0.35671242       0.64328758      -0.35671242 1.0 
      0.34828374       0.65171626      -0.34828374 1.0 
      0.33985506       0.66014494      -0.33985506 1.0 
      0.33142638       0.66857362      -0.33142638 1.0 
      0.32299769       0.67700231      -0.32299769 1.0 
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      0.30505338       0.66716884      -0.30505338 1.0 
      0.28710906       0.65733538      -0.28710906 1.0 
      0.26916475       0.64750192      -0.26916475 1.0 
      0.25122043       0.63766846      -0.25122043 1.0 
      0.23327611       0.62783500      -0.23327611 1.0 
      0.21533180       0.61800154      -0.21533180 1.0 
      0.19738748       0.60816808      -0.19738748 1.0 
      0.17944316       0.59833461      -0.17944316 1.0 
      0.16149885       0.58850115      -0.16149885 1.0 
      0.14355453       0.57866769      -0.14355453 1.0 
      0.12561021       0.56883423      -0.12561021 1.0 
      0.10766590       0.55900077      -0.10766590 1.0 
      0.08972158       0.54916731      -0.08972158 1.0 
      0.07177727       0.53933385      -0.07177727 1.0 
      0.05383295       0.52950038      -0.05383295 1.0 
      0.03588863       0.51966692      -0.03588863 1.0 
      0.01794432       0.50983346      -0.01794432 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00862069       0.49137931       0.00862069 1.0 
      0.01724138       0.48275862       0.01724138 1.0 
      0.02586207       0.47413793       0.02586207 1.0 
      0.03448276       0.46551724       0.03448276 1.0 
      0.04310345       0.45689655       0.04310345 1.0 
      0.05172414       0.44827586       0.05172414 1.0 
      0.06034483       0.43965517       0.06034483 1.0 
      0.06896552       0.43103448       0.06896552 1.0 
      0.07758621       0.42241379       0.07758621 1.0 
      0.08620690       0.41379310       0.08620690 1.0 
      0.09482759       0.40517241       0.09482759 1.0 
      0.10344828       0.39655172       0.10344828 1.0 
      0.11206897       0.38793103       0.11206897 1.0 
      0.12068966       0.37931034       0.12068966 1.0 
      0.12931034       0.37068966       0.12931034 1.0 
      0.13793103       0.36206897       0.13793103 1.0 
      0.14655172       0.35344828       0.14655172 1.0 
      0.15517241       0.34482759       0.15517241 1.0 
      0.16379310       0.33620690       0.16379310 1.0 
      0.17241379       0.32758621       0.17241379 1.0 
      0.18103448       0.31896552       0.18103448 1.0 
      0.18965517       0.31034483       0.18965517 1.0 
      0.19827586       0.30172414       0.19827586 1.0 
      0.20689655       0.29310345       0.20689655 1.0 
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      0.27500000       0.27500000       0.21040046 1.0 
      0.28750000       0.28750000       0.19060069 1.0 
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      0.35000000       0.35000000       0.09160184 1.0 
      0.36250000       0.36250000       0.07180207 1.0 
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      0.00000000      -0.00000000       0.50000000 1.0 
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      0.03125000       0.03125000       0.46875000 1.0 
      0.04687500       0.04687500       0.45312500 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07812500       0.07812500       0.42187500 1.0 
      0.09375000       0.09375000       0.40625000 1.0 
      0.10937500       0.10937500       0.39062500 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14062500       0.14062500       0.35937500 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
      0.17187500       0.17187500       0.32812500 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
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      0.21875000       0.21875000       0.28125000 1.0 
      0.23437500       0.23437500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

