! Pwscf input file created with pymatgen.py 
! Compound: Ga2HgTe4
&control
         calculation     = 'bands'
         prefix          = 'Ga2HgTe4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.9228528891811862
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6665188961583556
         celldm(5)       =           -0.6665188961583556
         celldm(6)       =            0.3330377923167115
         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
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te_MT_PBE.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
258
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.01351351 1.0 
     -0.00000000      -0.00000000       0.02702703 1.0 
      0.00000000      -0.00000000       0.04054054 1.0 
     -0.00000000      -0.00000000       0.05405405 1.0 
      0.00000000      -0.00000000       0.06756757 1.0 
      0.00000000      -0.00000000       0.08108108 1.0 
     -0.00000000       0.00000000       0.09459459 1.0 
     -0.00000000      -0.00000000       0.10810811 1.0 
     -0.00000000      -0.00000000       0.12162162 1.0 
      0.00000000      -0.00000000       0.13513514 1.0 
     -0.00000000      -0.00000000       0.14864865 1.0 
      0.00000000      -0.00000000       0.16216216 1.0 
     -0.00000000      -0.00000000       0.17567568 1.0 
     -0.00000000       0.00000000       0.18918919 1.0 
     -0.00000000      -0.00000000       0.20270270 1.0 
     -0.00000000      -0.00000000       0.21621622 1.0 
     -0.00000000      -0.00000000       0.22972973 1.0 
     -0.00000000      -0.00000000       0.24324324 1.0 
     -0.00000000      -0.00000000       0.25675676 1.0 
      0.00000000      -0.00000000       0.27027027 1.0 
      0.00000000      -0.00000000       0.28378378 1.0 
     -0.00000000      -0.00000000       0.29729730 1.0 
      0.00000000      -0.00000000       0.31081081 1.0 
      0.00000000      -0.00000000       0.32432432 1.0 
     -0.00000000       0.00000000       0.33783784 1.0 
     -0.00000000      -0.00000000       0.35135135 1.0 
      0.00000000      -0.00000000       0.36486486 1.0 
     -0.00000000       0.00000000       0.37837838 1.0 
      0.00000000      -0.00000000       0.39189189 1.0 
     -0.00000000      -0.00000000       0.40540541 1.0 
     -0.00000000       0.00000000       0.41891892 1.0 
     -0.00000000      -0.00000000       0.43243243 1.0 
     -0.00000000      -0.00000000       0.44594595 1.0 
     -0.00000000      -0.00000000       0.45945946 1.0 
     -0.00000000      -0.00000000       0.47297297 1.0 
     -0.00000000      -0.00000000       0.48648649 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01250831       0.01250831       0.50000000 1.0 
     -0.02501663       0.02501663       0.50000000 1.0 
     -0.03752494       0.03752494       0.50000000 1.0 
     -0.05003326       0.05003326       0.50000000 1.0 
     -0.06254157       0.06254157       0.50000000 1.0 
     -0.07504988       0.07504988       0.50000000 1.0 
     -0.08755820       0.08755820       0.50000000 1.0 
     -0.10006651       0.10006651       0.50000000 1.0 
     -0.11257483       0.11257483       0.50000000 1.0 
     -0.12508314       0.12508314       0.50000000 1.0 
     -0.12508314       0.12508314       0.50000000 1.0 
     -0.13445606       0.13445606       0.49062708 1.0 
     -0.14382898       0.14382898       0.48125416 1.0 
     -0.15320190       0.15320190       0.47188124 1.0 
     -0.16257483       0.16257483       0.46250831 1.0 
     -0.17194775       0.17194775       0.45313539 1.0 
     -0.18132067       0.18132067       0.44376247 1.0 
     -0.19069359       0.19069359       0.43438955 1.0 
     -0.20006651       0.20006651       0.42501663 1.0 
     -0.20943943       0.20943943       0.41564371 1.0 
     -0.21881235       0.21881235       0.40627078 1.0 
     -0.22818528       0.22818528       0.39689786 1.0 
     -0.23755820       0.23755820       0.38752494 1.0 
     -0.24693112       0.24693112       0.37815202 1.0 
     -0.25630404       0.25630404       0.36877910 1.0 
     -0.26567696       0.26567696       0.35940618 1.0 
     -0.27504988       0.27504988       0.35003326 1.0 
     -0.28442281       0.28442281       0.34066033 1.0 
     -0.29379573       0.29379573       0.33128741 1.0 
     -0.30316865       0.30316865       0.32191449 1.0 
     -0.31254157       0.31254157       0.31254157 1.0 
     -0.31254157       0.31254157       0.31254157 1.0 
     -0.30307061       0.30307061       0.30307061 1.0 
     -0.29359966       0.29359966       0.29359966 1.0 
     -0.28412870       0.28412870       0.28412870 1.0 
     -0.27465774       0.27465774       0.27465774 1.0 
     -0.26518679       0.26518679       0.26518679 1.0 
     -0.25571583       0.25571583       0.25571583 1.0 
     -0.24624487       0.24624487       0.24624487 1.0 
     -0.23677392       0.23677392       0.23677392 1.0 
     -0.22730296       0.22730296       0.22730296 1.0 
     -0.21783200       0.21783200       0.21783200 1.0 
     -0.20836105       0.20836105       0.20836105 1.0 
     -0.19889009       0.19889009       0.19889009 1.0 
     -0.18941913       0.18941913       0.18941913 1.0 
     -0.17994818       0.17994818       0.17994818 1.0 
     -0.17047722       0.17047722       0.17047722 1.0 
     -0.16100626       0.16100626       0.16100626 1.0 
     -0.15153531       0.15153531       0.15153531 1.0 
     -0.14206435       0.14206435       0.14206435 1.0 
     -0.13259339       0.13259339       0.13259339 1.0 
     -0.12312244       0.12312244       0.12312244 1.0 
     -0.11365148       0.11365148       0.11365148 1.0 
     -0.10418052       0.10418052       0.10418052 1.0 
     -0.09470957       0.09470957       0.09470957 1.0 
     -0.08523861       0.08523861       0.08523861 1.0 
     -0.07576765       0.07576765       0.07576765 1.0 
     -0.06629670       0.06629670       0.06629670 1.0 
     -0.05682574       0.05682574       0.05682574 1.0 
     -0.04735478       0.04735478       0.04735478 1.0 
     -0.03788383       0.03788383       0.03788383 1.0 
     -0.02841287       0.02841287       0.02841287 1.0 
     -0.01894191       0.01894191       0.01894191 1.0 
     -0.00947096       0.00947096       0.00947096 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01851852       0.01851852      -0.01851852 1.0 
      0.03703704       0.03703704      -0.03703704 1.0 
      0.05555556       0.05555556      -0.05555556 1.0 
      0.07407407       0.07407407      -0.07407407 1.0 
      0.09259259       0.09259259      -0.09259259 1.0 
      0.11111111       0.11111111      -0.11111111 1.0 
      0.12962963       0.12962963      -0.12962963 1.0 
      0.14814815       0.14814815      -0.14814815 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.18518519       0.18518519      -0.18518519 1.0 
      0.20370370       0.20370370      -0.20370370 1.0 
      0.22222222       0.22222222      -0.22222222 1.0 
      0.24074074       0.24074074      -0.24074074 1.0 
      0.25925926       0.25925926      -0.25925926 1.0 
      0.27777778       0.27777778      -0.27777778 1.0 
      0.29629630       0.29629630      -0.29629630 1.0 
      0.31481481       0.31481481      -0.31481481 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.35185185       0.35185185      -0.35185185 1.0 
      0.37037037       0.37037037      -0.37037037 1.0 
      0.38888889       0.38888889      -0.38888889 1.0 
      0.40740741       0.40740741      -0.40740741 1.0 
      0.42592593       0.42592593      -0.42592593 1.0 
      0.44444444       0.44444444      -0.44444444 1.0 
      0.46296296       0.46296296      -0.46296296 1.0 
      0.48148148       0.48148148      -0.48148148 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49062708       0.50937292      -0.49062708 1.0 
      0.48125416       0.51874584      -0.48125416 1.0 
      0.47188124       0.52811876      -0.47188124 1.0 
      0.46250831       0.53749169      -0.46250831 1.0 
      0.45313539       0.54686461      -0.45313539 1.0 
      0.44376247       0.55623753      -0.44376247 1.0 
      0.43438955       0.56561045      -0.43438955 1.0 
      0.42501663       0.57498337      -0.42501663 1.0 
      0.41564371       0.58435629      -0.41564371 1.0 
      0.40627078       0.59372922      -0.40627078 1.0 
      0.39689786       0.60310214      -0.39689786 1.0 
      0.38752494       0.61247506      -0.38752494 1.0 
      0.37815202       0.62184798      -0.37815202 1.0 
      0.36877910       0.63122090      -0.36877910 1.0 
      0.35940618       0.64059382      -0.35940618 1.0 
      0.35003326       0.64996674      -0.35003326 1.0 
      0.34066033       0.65933967      -0.34066033 1.0 
      0.33128741       0.66871259      -0.33128741 1.0 
      0.32191449       0.67808551      -0.32191449 1.0 
      0.31254157       0.68745843      -0.31254157 1.0 
      0.31254157       0.68745843      -0.31254157 1.0 
      0.29170547       0.67496120      -0.29170547 1.0 
      0.27086936       0.66246397      -0.27086936 1.0 
      0.25003326       0.64996674      -0.25003326 1.0 
      0.22919715       0.63746952      -0.22919715 1.0 
      0.20836105       0.62497229      -0.20836105 1.0 
      0.18752494       0.61247506      -0.18752494 1.0 
      0.16668884       0.59997783      -0.16668884 1.0 
      0.14585273       0.58748060      -0.14585273 1.0 
      0.12501663       0.57498337      -0.12501663 1.0 
      0.10418052       0.56248614      -0.10418052 1.0 
      0.08334442       0.54998891      -0.08334442 1.0 
      0.06250831       0.53749169      -0.06250831 1.0 
      0.04167221       0.52499446      -0.04167221 1.0 
      0.02083610       0.51249723      -0.02083610 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00925926       0.49074074       0.00925926 1.0 
      0.01851852       0.48148148       0.01851852 1.0 
      0.02777778       0.47222222       0.02777778 1.0 
      0.03703704       0.46296296       0.03703704 1.0 
      0.04629630       0.45370370       0.04629630 1.0 
      0.05555556       0.44444444       0.05555556 1.0 
      0.06481481       0.43518519       0.06481481 1.0 
      0.07407407       0.42592593       0.07407407 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09259259       0.40740741       0.09259259 1.0 
      0.10185185       0.39814815       0.10185185 1.0 
      0.11111111       0.38888889       0.11111111 1.0 
      0.12037037       0.37962963       0.12037037 1.0 
      0.12962963       0.37037037       0.12962963 1.0 
      0.13888889       0.36111111       0.13888889 1.0 
      0.14814815       0.35185185       0.14814815 1.0 
      0.15740741       0.34259259       0.15740741 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17592593       0.32407407       0.17592593 1.0 
      0.18518519       0.31481481       0.18518519 1.0 
      0.19444444       0.30555556       0.19444444 1.0 
      0.20370370       0.29629630       0.20370370 1.0 
      0.21296296       0.28703704       0.21296296 1.0 
      0.22222222       0.27777778       0.22222222 1.0 
      0.23148148       0.26851852       0.23148148 1.0 
      0.24074074       0.25925926       0.24074074 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26562500       0.26562500       0.22655730 1.0 
      0.28125000       0.28125000       0.20311461 1.0 
      0.29687500       0.29687500       0.17967191 1.0 
      0.31250000       0.31250000       0.15622922 1.0 
      0.32812500       0.32812500       0.13278652 1.0 
      0.34375000       0.34375000       0.10934382 1.0 
      0.35937500       0.35937500       0.08590113 1.0 
      0.37500000       0.37500000       0.06245843 1.0 
      0.39062500       0.39062500       0.03901573 1.0 
      0.40625000       0.40625000       0.01557304 1.0 
      0.42187500       0.42187500      -0.00786966 1.0 
      0.43750000       0.43750000      -0.03131235 1.0 
      0.45312500       0.45312500      -0.05475505 1.0 
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      0.50000000       0.50000000      -0.20542247 1.0 
      0.50000000       0.50000000      -0.21881235 1.0 
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      0.50000000       0.50000000      -0.24559213 1.0 
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      0.00000000      -0.00000000       0.50000000 1.0 
      0.01785714       0.01785714       0.48214286 1.0 
      0.03571429       0.03571429       0.46428571 1.0 
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      0.07142857       0.07142857       0.42857143 1.0 
      0.08928571       0.08928571       0.41071429 1.0 
      0.10714286       0.10714286       0.39285714 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14285714       0.14285714       0.35714286 1.0 
      0.16071429       0.16071429       0.33928571 1.0 
      0.17857143       0.17857143       0.32142857 1.0 
      0.19642857       0.19642857       0.30357143 1.0 
      0.21428571       0.21428571       0.28571429 1.0 
      0.23214286       0.23214286       0.26785714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

