! Pwscf input file created with ciftopw.py 
! Compound: Ba2HgS3
&control
         calculation     = 'bands'
         prefix          = 'Ba2HgS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.2335361340730007
         celldm(2)       =            2.0498049116364467
         celldm(3)       =            3.9607528115675921
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       43.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
272
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.00000000       0.00000000 1.0 
      0.02702703       0.00000000       0.00000000 1.0 
      0.04054054      -0.00000000       0.00000000 1.0 
      0.05405405       0.00000000       0.00000000 1.0 
      0.06756757       0.00000000       0.00000000 1.0 
      0.08108108      -0.00000000       0.00000000 1.0 
      0.09459459       0.00000000       0.00000000 1.0 
      0.10810811       0.00000000       0.00000000 1.0 
      0.12162162      -0.00000000       0.00000000 1.0 
      0.13513514       0.00000000       0.00000000 1.0 
      0.14864865       0.00000000       0.00000000 1.0 
      0.16216216      -0.00000000       0.00000000 1.0 
      0.17567568       0.00000000       0.00000000 1.0 
      0.18918919       0.00000000       0.00000000 1.0 
      0.20270270       0.00000000       0.00000000 1.0 
      0.21621622       0.00000000       0.00000000 1.0 
      0.22972973       0.00000000       0.00000000 1.0 
      0.24324324      -0.00000000       0.00000000 1.0 
      0.25675676       0.00000000       0.00000000 1.0 
      0.27027027       0.00000000       0.00000000 1.0 
      0.28378378       0.00000000       0.00000000 1.0 
      0.29729730       0.00000000       0.00000000 1.0 
      0.31081081       0.00000000       0.00000000 1.0 
      0.32432432      -0.00000000       0.00000000 1.0 
      0.33783784       0.00000000       0.00000000 1.0 
      0.35135135       0.00000000       0.00000000 1.0 
      0.36486486       0.00000000       0.00000000 1.0 
      0.37837838       0.00000000       0.00000000 1.0 
      0.39189189       0.00000000       0.00000000 1.0 
      0.40540541       0.00000000       0.00000000 1.0 
      0.41891892      -0.00000000       0.00000000 1.0 
      0.43243243       0.00000000       0.00000000 1.0 
      0.44594595      -0.00000000       0.00000000 1.0 
      0.45945946       0.00000000       0.00000000 1.0 
      0.47297297       0.00000000       0.00000000 1.0 
      0.48648649      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.02777778       0.00000000 1.0 
      0.50000000       0.05555556       0.00000000 1.0 
      0.50000000       0.08333333       0.00000000 1.0 
      0.50000000       0.11111111       0.00000000 1.0 
      0.50000000       0.13888889       0.00000000 1.0 
      0.50000000       0.16666667       0.00000000 1.0 
      0.50000000       0.19444444       0.00000000 1.0 
      0.50000000       0.22222222       0.00000000 1.0 
      0.50000000       0.25000000       0.00000000 1.0 
      0.50000000       0.27777778       0.00000000 1.0 
      0.50000000       0.30555556       0.00000000 1.0 
      0.50000000       0.33333333       0.00000000 1.0 
      0.50000000       0.36111111       0.00000000 1.0 
      0.50000000       0.38888889       0.00000000 1.0 
      0.50000000       0.41666667       0.00000000 1.0 
      0.50000000       0.44444444       0.00000000 1.0 
      0.50000000       0.47222222       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48648649       0.50000000       0.00000000 1.0 
      0.47297297       0.50000000       0.00000000 1.0 
      0.45945946       0.50000000       0.00000000 1.0 
      0.44594595       0.50000000       0.00000000 1.0 
      0.43243243       0.50000000       0.00000000 1.0 
      0.41891892       0.50000000       0.00000000 1.0 
      0.40540541       0.50000000       0.00000000 1.0 
      0.39189189       0.50000000       0.00000000 1.0 
      0.37837838       0.50000000       0.00000000 1.0 
      0.36486486       0.50000000       0.00000000 1.0 
      0.35135135       0.50000000       0.00000000 1.0 
      0.33783784       0.50000000       0.00000000 1.0 
      0.32432432       0.50000000       0.00000000 1.0 
      0.31081081       0.50000000       0.00000000 1.0 
      0.29729730       0.50000000       0.00000000 1.0 
      0.28378378       0.50000000       0.00000000 1.0 
      0.27027027       0.50000000       0.00000000 1.0 
      0.25675676       0.50000000       0.00000000 1.0 
      0.24324324       0.50000000       0.00000000 1.0 
      0.22972973       0.50000000       0.00000000 1.0 
      0.21621622       0.50000000       0.00000000 1.0 
      0.20270270       0.50000000       0.00000000 1.0 
      0.18918919       0.50000000       0.00000000 1.0 
      0.17567568       0.50000000       0.00000000 1.0 
      0.16216216       0.50000000       0.00000000 1.0 
      0.14864865       0.50000000       0.00000000 1.0 
      0.13513514       0.50000000       0.00000000 1.0 
      0.12162162       0.50000000       0.00000000 1.0 
      0.10810811       0.50000000       0.00000000 1.0 
      0.09459459       0.50000000       0.00000000 1.0 
      0.08108108       0.50000000       0.00000000 1.0 
      0.06756757       0.50000000       0.00000000 1.0 
      0.05405405       0.50000000       0.00000000 1.0 
      0.04054054       0.50000000       0.00000000 1.0 
      0.02702703       0.50000000       0.00000000 1.0 
      0.01351351       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47222222       0.00000000 1.0 
      0.00000000       0.44444444       0.00000000 1.0 
      0.00000000       0.41666667       0.00000000 1.0 
      0.00000000       0.38888889       0.00000000 1.0 
      0.00000000       0.36111111       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.30555556       0.00000000 1.0 
      0.00000000       0.27777778       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.22222222       0.00000000 1.0 
      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.13888889       0.00000000 1.0 
      0.00000000       0.11111111       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
      0.00000000       0.05555556       0.00000000 1.0 
      0.00000000       0.02777778       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000      -0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01351351      -0.00000000       0.50000000 1.0 
      0.02702703       0.00000000       0.50000000 1.0 
      0.04054054       0.00000000       0.50000000 1.0 
      0.05405405       0.00000000       0.50000000 1.0 
      0.06756757       0.00000000       0.50000000 1.0 
      0.08108108       0.00000000       0.50000000 1.0 
      0.09459459       0.00000000       0.50000000 1.0 
      0.10810811       0.00000000       0.50000000 1.0 
      0.12162162       0.00000000       0.50000000 1.0 
      0.13513514       0.00000000       0.50000000 1.0 
      0.14864865       0.00000000       0.50000000 1.0 
      0.16216216      -0.00000000       0.50000000 1.0 
      0.17567568       0.00000000       0.50000000 1.0 
      0.18918919       0.00000000       0.50000000 1.0 
      0.20270270       0.00000000       0.50000000 1.0 
      0.21621622       0.00000000       0.50000000 1.0 
      0.22972973       0.00000000       0.50000000 1.0 
      0.24324324      -0.00000000       0.50000000 1.0 
      0.25675676       0.00000000       0.50000000 1.0 
      0.27027027       0.00000000       0.50000000 1.0 
      0.28378378       0.00000000       0.50000000 1.0 
      0.29729730       0.00000000       0.50000000 1.0 
      0.31081081       0.00000000       0.50000000 1.0 
      0.32432432      -0.00000000       0.50000000 1.0 
      0.33783784       0.00000000       0.50000000 1.0 
      0.35135135       0.00000000       0.50000000 1.0 
      0.36486486       0.00000000       0.50000000 1.0 
      0.37837838       0.00000000       0.50000000 1.0 
      0.39189189       0.00000000       0.50000000 1.0 
      0.40540541       0.00000000       0.50000000 1.0 
      0.41891892       0.00000000       0.50000000 1.0 
      0.43243243       0.00000000       0.50000000 1.0 
      0.44594595       0.00000000       0.50000000 1.0 
      0.45945946       0.00000000       0.50000000 1.0 
      0.47297297      -0.00000000       0.50000000 1.0 
      0.48648649      -0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02777778       0.50000000 1.0 
      0.50000000       0.05555556       0.50000000 1.0 
      0.50000000       0.08333333       0.50000000 1.0 
      0.50000000       0.11111111       0.50000000 1.0 
      0.50000000       0.13888889       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.19444444       0.50000000 1.0 
      0.50000000       0.22222222       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
      0.50000000       0.27777778       0.50000000 1.0 
      0.50000000       0.30555556       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.36111111       0.50000000 1.0 
      0.50000000       0.38888889       0.50000000 1.0 
      0.50000000       0.41666667       0.50000000 1.0 
      0.50000000       0.44444444       0.50000000 1.0 
      0.50000000       0.47222222       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48648649       0.50000000       0.50000000 1.0 
      0.47297297       0.50000000       0.50000000 1.0 
      0.45945946       0.50000000       0.50000000 1.0 
      0.44594595       0.50000000       0.50000000 1.0 
      0.43243243       0.50000000       0.50000000 1.0 
      0.41891892       0.50000000       0.50000000 1.0 
      0.40540541       0.50000000       0.50000000 1.0 
      0.39189189       0.50000000       0.50000000 1.0 
      0.37837838       0.50000000       0.50000000 1.0 
      0.36486486       0.50000000       0.50000000 1.0 
      0.35135135       0.50000000       0.50000000 1.0 
      0.33783784       0.50000000       0.50000000 1.0 
      0.32432432       0.50000000       0.50000000 1.0 
      0.31081081       0.50000000       0.50000000 1.0 
      0.29729730       0.50000000       0.50000000 1.0 
      0.28378378       0.50000000       0.50000000 1.0 
      0.27027027       0.50000000       0.50000000 1.0 
      0.25675676       0.50000000       0.50000000 1.0 
      0.24324324       0.50000000       0.50000000 1.0 
      0.22972973       0.50000000       0.50000000 1.0 
      0.21621622       0.50000000       0.50000000 1.0 
      0.20270270       0.50000000       0.50000000 1.0 
      0.18918919       0.50000000       0.50000000 1.0 
      0.17567568       0.50000000       0.50000000 1.0 
      0.16216216       0.50000000       0.50000000 1.0 
      0.14864865       0.50000000       0.50000000 1.0 
      0.13513514       0.50000000       0.50000000 1.0 
      0.12162162       0.50000000       0.50000000 1.0 
      0.10810811       0.50000000       0.50000000 1.0 
      0.09459459       0.50000000       0.50000000 1.0 
      0.08108108       0.50000000       0.50000000 1.0 
      0.06756757       0.50000000       0.50000000 1.0 
      0.05405405       0.50000000       0.50000000 1.0 
      0.04054054       0.50000000       0.50000000 1.0 
      0.02702703       0.50000000       0.50000000 1.0 
      0.01351351       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.47222222       0.50000000 1.0 
      0.00000000       0.44444444       0.50000000 1.0 
      0.00000000       0.41666667       0.50000000 1.0 
      0.00000000       0.38888889       0.50000000 1.0 
      0.00000000       0.36111111       0.50000000 1.0 
      0.00000000       0.33333333       0.50000000 1.0 
      0.00000000       0.30555556       0.50000000 1.0 
      0.00000000       0.27777778       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.22222222       0.50000000 1.0 
      0.00000000       0.19444444       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
      0.00000000       0.13888889       0.50000000 1.0 
      0.00000000       0.11111111       0.50000000 1.0 
      0.00000000       0.08333333       0.50000000 1.0 
      0.00000000       0.05555556       0.50000000 1.0 
      0.00000000       0.02777778       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.05000000 1.0 
      0.00000000       0.50000000       0.10000000 1.0 
      0.00000000       0.50000000       0.15000000 1.0 
      0.00000000       0.50000000       0.20000000 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.30000000 1.0 
      0.00000000       0.50000000       0.35000000 1.0 
      0.00000000       0.50000000       0.40000000 1.0 
      0.00000000       0.50000000       0.45000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.45000000 1.0 
      0.50000000      -0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.35000000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.15000000 1.0 
      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.05000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.05000000 1.0 
      0.50000000       0.50000000       0.10000000 1.0 
      0.50000000       0.50000000       0.15000000 1.0 
      0.50000000       0.50000000       0.20000000 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.30000000 1.0 
      0.50000000       0.50000000       0.35000000 1.0 
      0.50000000       0.50000000       0.40000000 1.0 
      0.50000000       0.50000000       0.45000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

