! Pwscf input file created with ciftopw.py 
! Compound: Hg2TeBr3
&control
         calculation     = 'bands'
         prefix          = 'Hg2TeBr3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.9448809849228006
         celldm(2)       =            0.7467681442764235
         celldm(3)       =            1.1732334517017118
         celldm(4)       =            0.5399024728806314
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       50.00000000
         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 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
165
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02315966       0.51964474 1.0 
      0.00000000       0.04631932       0.53928947 1.0 
      0.00000000       0.06947899       0.55893421 1.0 
      0.00000000       0.09263865       0.57857894 1.0 
      0.00000000       0.11579831       0.59822368 1.0 
      0.00000000       0.13895797       0.61786841 1.0 
      0.00000000       0.16211763       0.63751315 1.0 
      0.00000000       0.18527730       0.65715788 1.0 
      0.00000000       0.20843696       0.67680262 1.0 
      0.00000000       0.23159662       0.69644736 1.0 
      0.00000000       0.25475628       0.71609209 1.0 
      0.00000000       0.27791594       0.73573683 1.0 
      0.00000000       0.30107561       0.75538156 1.0 
      0.00000000       0.32423527       0.77502630 1.0 
      0.00000000       0.34739493       0.79467103 1.0 
      0.00000000       0.37055459       0.81431577 1.0 
      0.00000000       0.39371426       0.83396051 1.0 
      0.00000000       0.41687392       0.85360524 1.0 
      0.00000000       0.44003358       0.87324998 1.0 
      0.00000000       0.46319324       0.89289471 1.0 
      0.00000000       0.46319324       0.89289471 1.0 
      0.00000000       0.46582230       0.86483080 1.0 
      0.00000000       0.46845135       0.83676690 1.0 
      0.00000000       0.47108040       0.80870299 1.0 
      0.00000000       0.47370946       0.78063908 1.0 
      0.00000000       0.47633851       0.75257517 1.0 
      0.00000000       0.47896757       0.72451126 1.0 
      0.00000000       0.48159662       0.69644736 1.0 
      0.00000000       0.48422567       0.66838345 1.0 
      0.00000000       0.48685473       0.64031954 1.0 
      0.00000000       0.48948378       0.61225563 1.0 
      0.00000000       0.49211284       0.58419172 1.0 
      0.00000000       0.49474189       0.55612782 1.0 
      0.00000000       0.49737095       0.52806391 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03125000       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.09375000       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.15625000       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.21875000       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.28125000       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.34375000       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.40625000       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.46875000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50262905       0.47193609 1.0 
      0.50000000       0.50525811       0.44387218 1.0 
      0.50000000       0.50788716       0.41580828 1.0 
      0.50000000       0.51051622       0.38774437 1.0 
      0.50000000       0.51314527       0.35968046 1.0 
      0.50000000       0.51577433       0.33161655 1.0 
      0.50000000       0.51840338       0.30355264 1.0 
      0.50000000       0.52103243       0.27548874 1.0 
      0.50000000       0.52366149       0.24742483 1.0 
      0.50000000       0.52629054       0.21936092 1.0 
      0.50000000       0.52891960       0.19129701 1.0 
      0.50000000       0.53154865       0.16323310 1.0 
      0.50000000       0.53417770       0.13516920 1.0 
      0.50000000       0.53680676       0.10710529 1.0 
      0.50000000       0.53680676       0.10710529 1.0 
      0.50000000       0.52453784       0.07140353 1.0 
      0.50000000       0.51226892       0.03570176 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.46875000       0.50000000       0.00000000 1.0 
      0.43750000       0.50000000       0.00000000 1.0 
      0.40625000       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.34375000       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.28125000       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.21875000       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.15625000       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.09375000       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.03125000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.51226892       0.03570176 1.0 
      0.00000000       0.52453784       0.07140353 1.0 
      0.00000000       0.53680676       0.10710529 1.0 
      0.50000000       0.46319324       0.89289471 1.0 
      0.50000000       0.44003358       0.87324998 1.0 
      0.50000000       0.41687392       0.85360524 1.0 
      0.50000000       0.39371426       0.83396051 1.0 
      0.50000000       0.37055459       0.81431577 1.0 
      0.50000000       0.34739493       0.79467103 1.0 
      0.50000000       0.32423527       0.77502630 1.0 
      0.50000000       0.30107561       0.75538156 1.0 
      0.50000000       0.27791594       0.73573683 1.0 
      0.50000000       0.25475628       0.71609209 1.0 
      0.50000000       0.23159662       0.69644736 1.0 
      0.50000000       0.20843696       0.67680262 1.0 
      0.50000000       0.18527730       0.65715788 1.0 
      0.50000000       0.16211763       0.63751315 1.0 
      0.50000000       0.13895797       0.61786841 1.0 
      0.50000000       0.11579831       0.59822368 1.0 
      0.50000000       0.09263865       0.57857894 1.0 
      0.50000000       0.06947899       0.55893421 1.0 
      0.50000000       0.04631932       0.53928947 1.0 
      0.50000000       0.02315966       0.51964474 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.03125000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.03125000       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.09375000       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.15625000       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.21875000       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.28125000       0.00000000       0.50000000 1.0 
      0.31250000       0.00000000       0.50000000 1.0 
      0.34375000       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.40625000       0.00000000       0.50000000 1.0 
      0.43750000       0.00000000       0.50000000 1.0 
      0.46875000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

