! 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)       =           11.8553117365785141
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6378724543104579
         celldm(5)       =           -0.6378724543104579
         celldm(6)       =            0.2757449086209163
         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
293
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01190476 1.0 
      0.00000000      -0.00000000       0.02380952 1.0 
      0.00000000      -0.00000000       0.03571429 1.0 
      0.00000000      -0.00000000       0.04761905 1.0 
     -0.00000000      -0.00000000       0.05952381 1.0 
      0.00000000      -0.00000000       0.07142857 1.0 
      0.00000000      -0.00000000       0.08333333 1.0 
      0.00000000      -0.00000000       0.09523810 1.0 
     -0.00000000       0.00000000       0.10714286 1.0 
     -0.00000000      -0.00000000       0.11904762 1.0 
      0.00000000      -0.00000000       0.13095238 1.0 
      0.00000000      -0.00000000       0.14285714 1.0 
      0.00000000      -0.00000000       0.15476190 1.0 
      0.00000000      -0.00000000       0.16666667 1.0 
     -0.00000000       0.00000000       0.17857143 1.0 
      0.00000000      -0.00000000       0.19047619 1.0 
      0.00000000      -0.00000000       0.20238095 1.0 
     -0.00000000       0.00000000       0.21428571 1.0 
      0.00000000      -0.00000000       0.22619048 1.0 
     -0.00000000      -0.00000000       0.23809524 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.26190476 1.0 
      0.00000000       0.00000000       0.27380952 1.0 
      0.00000000      -0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.29761905 1.0 
      0.00000000      -0.00000000       0.30952381 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000      -0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.34523810 1.0 
     -0.00000000       0.00000000       0.35714286 1.0 
      0.00000000      -0.00000000       0.36904762 1.0 
      0.00000000      -0.00000000       0.38095238 1.0 
      0.00000000      -0.00000000       0.39285714 1.0 
      0.00000000      -0.00000000       0.40476190 1.0 
     -0.00000000       0.00000000       0.41666667 1.0 
     -0.00000000       0.00000000       0.42857143 1.0 
     -0.00000000       0.00000000       0.44047619 1.0 
      0.00000000      -0.00000000       0.45238095 1.0 
      0.00000000      -0.00000000       0.46428571 1.0 
     -0.00000000      -0.00000000       0.47619048 1.0 
      0.00000000      -0.00000000       0.48809524 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.01182732       0.01182732       0.50000000 1.0 
     -0.02365465       0.02365465       0.50000000 1.0 
     -0.03548197       0.03548197       0.50000000 1.0 
     -0.04730929       0.04730929       0.50000000 1.0 
     -0.05913662       0.05913662       0.50000000 1.0 
     -0.07096394       0.07096394       0.50000000 1.0 
     -0.08279126       0.08279126       0.50000000 1.0 
     -0.09461859       0.09461859       0.50000000 1.0 
     -0.10644591       0.10644591       0.50000000 1.0 
     -0.11827323       0.11827323       0.50000000 1.0 
     -0.13010056       0.13010056       0.50000000 1.0 
     -0.14192788       0.14192788       0.50000000 1.0 
     -0.14192788       0.14192788       0.50000000 1.0 
     -0.15006588       0.15006588       0.49186200 1.0 
     -0.15820389       0.15820389       0.48372399 1.0 
     -0.16634189       0.16634189       0.47558599 1.0 
     -0.17447989       0.17447989       0.46744799 1.0 
     -0.18261790       0.18261790       0.45930999 1.0 
     -0.19075590       0.19075590       0.45117198 1.0 
     -0.19889390       0.19889390       0.44303398 1.0 
     -0.20703190       0.20703190       0.43489598 1.0 
     -0.21516991       0.21516991       0.42675798 1.0 
     -0.22330791       0.22330791       0.41861997 1.0 
     -0.23144591       0.23144591       0.41048197 1.0 
     -0.23958391       0.23958391       0.40234397 1.0 
     -0.24772192       0.24772192       0.39420597 1.0 
     -0.25585992       0.25585992       0.38606796 1.0 
     -0.26399792       0.26399792       0.37792996 1.0 
     -0.27213592       0.27213592       0.36979196 1.0 
     -0.28027393       0.28027393       0.36165395 1.0 
     -0.28841193       0.28841193       0.35351595 1.0 
     -0.29654993       0.29654993       0.34537795 1.0 
     -0.30468794       0.30468794       0.33723995 1.0 
     -0.31282594       0.31282594       0.32910194 1.0 
     -0.32096394       0.32096394       0.32096394 1.0 
     -0.32096394       0.32096394       0.32096394 1.0 
     -0.31251752       0.31251752       0.31251752 1.0 
     -0.30407110       0.30407110       0.30407110 1.0 
     -0.29562468       0.29562468       0.29562468 1.0 
     -0.28717826       0.28717826       0.28717826 1.0 
     -0.27873184       0.27873184       0.27873184 1.0 
     -0.27028542       0.27028542       0.27028542 1.0 
     -0.26183900       0.26183900       0.26183900 1.0 
     -0.25339258       0.25339258       0.25339258 1.0 
     -0.24494617       0.24494617       0.24494617 1.0 
     -0.23649975       0.23649975       0.23649975 1.0 
     -0.22805333       0.22805333       0.22805333 1.0 
     -0.21960691       0.21960691       0.21960691 1.0 
     -0.21116049       0.21116049       0.21116049 1.0 
     -0.20271407       0.20271407       0.20271407 1.0 
     -0.19426765       0.19426765       0.19426765 1.0 
     -0.18582123       0.18582123       0.18582123 1.0 
     -0.17737481       0.17737481       0.17737481 1.0 
     -0.16892839       0.16892839       0.16892839 1.0 
     -0.16048197       0.16048197       0.16048197 1.0 
     -0.15203555       0.15203555       0.15203555 1.0 
     -0.14358913       0.14358913       0.14358913 1.0 
     -0.13514271       0.13514271       0.13514271 1.0 
     -0.12669629       0.12669629       0.12669629 1.0 
     -0.11824987       0.11824987       0.11824987 1.0 
     -0.10980345       0.10980345       0.10980345 1.0 
     -0.10135703       0.10135703       0.10135703 1.0 
     -0.09291061       0.09291061       0.09291061 1.0 
     -0.08446419       0.08446419       0.08446419 1.0 
     -0.07601778       0.07601778       0.07601778 1.0 
     -0.06757136       0.06757136       0.06757136 1.0 
     -0.05912494       0.05912494       0.05912494 1.0 
     -0.05067852       0.05067852       0.05067852 1.0 
     -0.04223210       0.04223210       0.04223210 1.0 
     -0.03378568       0.03378568       0.03378568 1.0 
     -0.02533926       0.02533926       0.02533926 1.0 
     -0.01689284       0.01689284       0.01689284 1.0 
     -0.00844642       0.00844642       0.00844642 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500       0.01562500      -0.01562500 1.0 
      0.03125000       0.03125000      -0.03125000 1.0 
      0.04687500       0.04687500      -0.04687500 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.07812500       0.07812500      -0.07812500 1.0 
      0.09375000       0.09375000      -0.09375000 1.0 
      0.10937500       0.10937500      -0.10937500 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.14062500       0.14062500      -0.14062500 1.0 
      0.15625000       0.15625000      -0.15625000 1.0 
      0.17187500       0.17187500      -0.17187500 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.20312500       0.20312500      -0.20312500 1.0 
      0.21875000       0.21875000      -0.21875000 1.0 
      0.23437500       0.23437500      -0.23437500 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.26562500       0.26562500      -0.26562500 1.0 
      0.28125000       0.28125000      -0.28125000 1.0 
      0.29687500       0.29687500      -0.29687500 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.32812500       0.32812500      -0.32812500 1.0 
      0.34375000       0.34375000      -0.34375000 1.0 
      0.35937500       0.35937500      -0.35937500 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.39062500       0.39062500      -0.39062500 1.0 
      0.40625000       0.40625000      -0.40625000 1.0 
      0.42187500       0.42187500      -0.42187500 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.45312500       0.45312500      -0.45312500 1.0 
      0.46875000       0.46875000      -0.46875000 1.0 
      0.48437500       0.48437500      -0.48437500 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49186200       0.50813800      -0.49186200 1.0 
      0.48372399       0.51627601      -0.48372399 1.0 
      0.47558599       0.52441401      -0.47558599 1.0 
      0.46744799       0.53255201      -0.46744799 1.0 
      0.45930999       0.54069001      -0.45930999 1.0 
      0.45117198       0.54882802      -0.45117198 1.0 
      0.44303398       0.55696602      -0.44303398 1.0 
      0.43489598       0.56510402      -0.43489598 1.0 
      0.42675798       0.57324202      -0.42675798 1.0 
      0.41861997       0.58138003      -0.41861997 1.0 
      0.41048197       0.58951803      -0.41048197 1.0 
      0.40234397       0.59765603      -0.40234397 1.0 
      0.39420597       0.60579403      -0.39420597 1.0 
      0.38606796       0.61393204      -0.38606796 1.0 
      0.37792996       0.62207004      -0.37792996 1.0 
      0.36979196       0.63020804      -0.36979196 1.0 
      0.36165395       0.63834605      -0.36165395 1.0 
      0.35351595       0.64648405      -0.35351595 1.0 
      0.34537795       0.65462205      -0.34537795 1.0 
      0.33723995       0.66276005      -0.33723995 1.0 
      0.32910194       0.67089806      -0.32910194 1.0 
      0.32096394       0.67903606      -0.32096394 1.0 
      0.32096394       0.67903606      -0.32096394 1.0 
      0.30313261       0.66908961      -0.30313261 1.0 
      0.28530128       0.65914316      -0.28530128 1.0 
      0.26746995       0.64919672      -0.26746995 1.0 
      0.24963862       0.63925027      -0.24963862 1.0 
      0.23180729       0.62930382      -0.23180729 1.0 
      0.21397596       0.61935737      -0.21397596 1.0 
      0.19614463       0.60941092      -0.19614463 1.0 
      0.17831330       0.59946448      -0.17831330 1.0 
      0.16048197       0.58951803      -0.16048197 1.0 
      0.14265064       0.57957158      -0.14265064 1.0 
      0.12481931       0.56962513      -0.12481931 1.0 
      0.10698798       0.55967869      -0.10698798 1.0 
      0.08915665       0.54973224      -0.08915665 1.0 
      0.07132532       0.53978579      -0.07132532 1.0 
      0.05349399       0.52983934      -0.05349399 1.0 
      0.03566266       0.51989290      -0.03566266 1.0 
      0.01783133       0.50994645      -0.01783133 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00833333       0.49166667       0.00833333 1.0 
      0.01666667       0.48333333       0.01666667 1.0 
      0.02500000       0.47500000       0.02500000 1.0 
      0.03333333       0.46666667       0.03333333 1.0 
      0.04166667       0.45833333       0.04166667 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.05833333       0.44166667       0.05833333 1.0 
      0.06666667       0.43333333       0.06666667 1.0 
      0.07500000       0.42500000       0.07500000 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09166667       0.40833333       0.09166667 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.10833333       0.39166667       0.10833333 1.0 
      0.11666667       0.38333333       0.11666667 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13333333       0.36666667       0.13333333 1.0 
      0.14166667       0.35833333       0.14166667 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.15833333       0.34166667       0.15833333 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17500000       0.32500000       0.17500000 1.0 
      0.18333333       0.31666667       0.18333333 1.0 
      0.19166667       0.30833333       0.19166667 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.20833333       0.29166667       0.20833333 1.0 
      0.21666667       0.28333333       0.21666667 1.0 
      0.22500000       0.27500000       0.22500000 1.0 
      0.23333333       0.26666667       0.23333333 1.0 
      0.24166667       0.25833333       0.24166667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26250000       0.26250000       0.23040361 1.0 
      0.27500000       0.27500000       0.21080721 1.0 
      0.28750000       0.28750000       0.19121082 1.0 
      0.30000000       0.30000000       0.17161442 1.0 
      0.31250000       0.31250000       0.15201803 1.0 
      0.32500000       0.32500000       0.13242164 1.0 
      0.33750000       0.33750000       0.11282524 1.0 
      0.35000000       0.35000000       0.09322885 1.0 
      0.36250000       0.36250000       0.07363245 1.0 
      0.37500000       0.37500000       0.05403606 1.0 
      0.38750000       0.38750000       0.03443966 1.0 
      0.40000000       0.40000000       0.01484327 1.0 
      0.41250000       0.41250000      -0.00475312 1.0 
      0.42500000       0.42500000      -0.02434952 1.0 
      0.43750000       0.43750000      -0.04394591 1.0 
      0.45000000       0.45000000      -0.06354231 1.0 
      0.46250000       0.46250000      -0.08313870 1.0 
      0.47500000       0.47500000      -0.10273509 1.0 
      0.48750000       0.48750000      -0.12233149 1.0 
      0.50000000       0.50000000      -0.14192788 1.0 
      0.50000000       0.50000000      -0.14192788 1.0 
      0.50000000       0.50000000      -0.15386362 1.0 
      0.50000000       0.50000000      -0.16579936 1.0 
      0.50000000       0.50000000      -0.17773509 1.0 
      0.50000000       0.50000000      -0.18967083 1.0 
      0.50000000       0.50000000      -0.20160657 1.0 
      0.50000000       0.50000000      -0.21354231 1.0 
      0.50000000       0.50000000      -0.22547804 1.0 
      0.50000000       0.50000000      -0.23741378 1.0 
      0.50000000       0.50000000      -0.24934952 1.0 
      0.50000000       0.50000000      -0.26128525 1.0 
      0.50000000       0.50000000      -0.27322099 1.0 
      0.50000000       0.50000000      -0.28515673 1.0 
      0.50000000       0.50000000      -0.29709247 1.0 
      0.50000000       0.50000000      -0.30902820 1.0 
      0.50000000       0.50000000      -0.32096394 1.0 
      0.50000000       0.50000000      -0.33289968 1.0 
      0.50000000       0.50000000      -0.34483542 1.0 
      0.50000000       0.50000000      -0.35677115 1.0 
      0.50000000       0.50000000      -0.36870689 1.0 
      0.50000000       0.50000000      -0.38064263 1.0 
      0.50000000       0.50000000      -0.39257836 1.0 
      0.50000000       0.50000000      -0.40451410 1.0 
      0.50000000       0.50000000      -0.41644984 1.0 
      0.50000000       0.50000000      -0.42838558 1.0 
      0.50000000       0.50000000      -0.44032131 1.0 
      0.50000000       0.50000000      -0.45225705 1.0 
      0.50000000       0.50000000      -0.46419279 1.0 
      0.50000000       0.50000000      -0.47612853 1.0 
      0.50000000       0.50000000      -0.48806426 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01562500       0.01562500       0.48437500 1.0 
      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 
      0.20312500       0.20312500       0.29687500 1.0 
      0.21875000       0.21875000       0.28125000 1.0 
      0.23437500       0.23437500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

