! Pwscf input file created with ciftopw.py 
! Compound: Hg2SeO3
&control
         calculation     = 'bands'
         prefix          = 'Hg2SeO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.6060926385285192
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.5116027280268134
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.3584579219396129
         nat             =       24
         ntyp            =        3
         ecutwfc         =       47.00000000
         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 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
262
      0.00000000       0.00000000       0.00000000 1.0 
      0.01752688       0.01752688       0.00000000 1.0 
      0.03505375       0.03505375       0.00000000 1.0 
      0.05258063       0.05258063       0.00000000 1.0 
      0.07010750       0.07010750       0.00000000 1.0 
      0.08763438       0.08763438       0.00000000 1.0 
      0.10516126       0.10516126       0.00000000 1.0 
      0.12268813       0.12268813       0.00000000 1.0 
      0.14021501       0.14021501       0.00000000 1.0 
      0.15774189       0.15774189       0.00000000 1.0 
      0.17526876       0.17526876       0.00000000 1.0 
      0.19279564       0.19279564       0.00000000 1.0 
      0.21032251       0.21032251       0.00000000 1.0 
      0.22784939       0.22784939       0.00000000 1.0 
      0.24537627       0.24537627       0.00000000 1.0 
      0.26290314       0.26290314       0.00000000 1.0 
      0.28043002       0.28043002       0.00000000 1.0 
      0.29795690       0.29795690       0.00000000 1.0 
      0.31548377       0.31548377       0.00000000 1.0 
      0.33301065       0.33301065       0.00000000 1.0 
      0.35053752       0.35053752       0.00000000 1.0 
      0.36806440       0.36806440       0.00000000 1.0 
      0.36806440       0.36806440       0.00000000 1.0 
      0.33739237       0.37905903       0.00000000 1.0 
      0.30672033       0.39005367       0.00000000 1.0 
      0.27604830       0.40104830       0.00000000 1.0 
      0.24537627       0.41204293       0.00000000 1.0 
      0.21470423       0.42303757       0.00000000 1.0 
      0.18403220       0.43403220       0.00000000 1.0 
      0.15336017       0.44502683       0.00000000 1.0 
      0.12268813       0.45602147       0.00000000 1.0 
      0.09201610       0.46701610       0.00000000 1.0 
      0.06134407       0.47801073       0.00000000 1.0 
      0.03067203       0.48900537       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.01562500 1.0 
     -0.00000000       0.50000000       0.03125000 1.0 
     -0.00000000       0.50000000       0.04687500 1.0 
     -0.00000000       0.50000000       0.06250000 1.0 
     -0.00000000       0.50000000       0.07812500 1.0 
     -0.00000000       0.50000000       0.09375000 1.0 
     -0.00000000       0.50000000       0.10937500 1.0 
     -0.00000000       0.50000000       0.12500000 1.0 
     -0.00000000       0.50000000       0.14062500 1.0 
     -0.00000000       0.50000000       0.15625000 1.0 
     -0.00000000       0.50000000       0.17187500 1.0 
     -0.00000000       0.50000000       0.18750000 1.0 
     -0.00000000       0.50000000       0.20312500 1.0 
     -0.00000000       0.50000000       0.21875000 1.0 
     -0.00000000       0.50000000       0.23437500 1.0 
     -0.00000000       0.50000000       0.25000000 1.0 
     -0.00000000       0.50000000       0.26562500 1.0 
     -0.00000000       0.50000000       0.28125000 1.0 
     -0.00000000       0.50000000       0.29687500 1.0 
     -0.00000000       0.50000000       0.31250000 1.0 
     -0.00000000       0.50000000       0.32812500 1.0 
     -0.00000000       0.50000000       0.34375000 1.0 
     -0.00000000       0.50000000       0.35937500 1.0 
     -0.00000000       0.50000000       0.37500000 1.0 
     -0.00000000       0.50000000       0.39062500 1.0 
     -0.00000000       0.50000000       0.40625000 1.0 
     -0.00000000       0.50000000       0.42187500 1.0 
     -0.00000000       0.50000000       0.43750000 1.0 
     -0.00000000       0.50000000       0.45312500 1.0 
     -0.00000000       0.50000000       0.46875000 1.0 
     -0.00000000       0.50000000       0.48437500 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
      0.03067203       0.48900537       0.50000000 1.0 
      0.06134407       0.47801073       0.50000000 1.0 
      0.09201610       0.46701610       0.50000000 1.0 
      0.12268813       0.45602147       0.50000000 1.0 
      0.15336017       0.44502683       0.50000000 1.0 
      0.18403220       0.43403220       0.50000000 1.0 
      0.21470423       0.42303757       0.50000000 1.0 
      0.24537627       0.41204293       0.50000000 1.0 
      0.27604830       0.40104830       0.50000000 1.0 
      0.30672033       0.39005367       0.50000000 1.0 
      0.33739237       0.37905903       0.50000000 1.0 
      0.36806440       0.36806440       0.50000000 1.0 
      0.36806440       0.36806440       0.50000000 1.0 
      0.35053752       0.35053752       0.50000000 1.0 
      0.33301065       0.33301065       0.50000000 1.0 
      0.31548377       0.31548377       0.50000000 1.0 
      0.29795690       0.29795690       0.50000000 1.0 
      0.28043002       0.28043002       0.50000000 1.0 
      0.26290314       0.26290314       0.50000000 1.0 
      0.24537627       0.24537627       0.50000000 1.0 
      0.22784939       0.22784939       0.50000000 1.0 
      0.21032251       0.21032251       0.50000000 1.0 
      0.19279564       0.19279564       0.50000000 1.0 
      0.17526876       0.17526876       0.50000000 1.0 
      0.15774189       0.15774189       0.50000000 1.0 
      0.14021501       0.14021501       0.50000000 1.0 
      0.12268813       0.12268813       0.50000000 1.0 
      0.10516126       0.10516126       0.50000000 1.0 
      0.08763438       0.08763438       0.50000000 1.0 
      0.07010750       0.07010750       0.50000000 1.0 
      0.05258063       0.05258063       0.50000000 1.0 
      0.03505375       0.03505375       0.50000000 1.0 
      0.01752688       0.01752688       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.48437500 1.0 
     -0.00000000       0.00000000       0.46875000 1.0 
     -0.00000000       0.00000000       0.45312500 1.0 
     -0.00000000       0.00000000       0.43750000 1.0 
     -0.00000000       0.00000000       0.42187500 1.0 
     -0.00000000       0.00000000       0.40625000 1.0 
     -0.00000000       0.00000000       0.39062500 1.0 
     -0.00000000       0.00000000       0.37500000 1.0 
     -0.00000000       0.00000000       0.35937500 1.0 
     -0.00000000       0.00000000       0.34375000 1.0 
     -0.00000000       0.00000000       0.32812500 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
     -0.00000000       0.00000000       0.29687500 1.0 
     -0.00000000       0.00000000       0.28125000 1.0 
     -0.00000000       0.00000000       0.26562500 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
     -0.00000000       0.00000000       0.23437500 1.0 
     -0.00000000       0.00000000       0.21875000 1.0 
     -0.00000000       0.00000000       0.20312500 1.0 
     -0.00000000       0.00000000       0.18750000 1.0 
     -0.00000000       0.00000000       0.17187500 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
     -0.00000000       0.00000000       0.14062500 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
     -0.00000000       0.00000000       0.10937500 1.0 
     -0.00000000       0.00000000       0.09375000 1.0 
     -0.00000000       0.00000000       0.07812500 1.0 
     -0.00000000       0.00000000       0.06250000 1.0 
     -0.00000000       0.00000000       0.04687500 1.0 
     -0.00000000      -0.00000000       0.03125000 1.0 
     -0.00000000       0.00000000       0.01562500 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.02500000       0.02500000       0.00000000 1.0 
     -0.05000000       0.05000000       0.00000000 1.0 
     -0.07500000       0.07500000       0.00000000 1.0 
     -0.10000000       0.10000000       0.00000000 1.0 
     -0.12500000       0.12500000       0.00000000 1.0 
     -0.15000000       0.15000000       0.00000000 1.0 
     -0.17500000       0.17500000       0.00000000 1.0 
     -0.20000000       0.20000000       0.00000000 1.0 
     -0.22500000       0.22500000       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.27500000       0.27500000       0.00000000 1.0 
     -0.30000000       0.30000000       0.00000000 1.0 
     -0.32500000       0.32500000       0.00000000 1.0 
     -0.35000000       0.35000000       0.00000000 1.0 
     -0.37500000       0.37500000       0.00000000 1.0 
     -0.40000000       0.40000000       0.00000000 1.0 
     -0.42500000       0.42500000       0.00000000 1.0 
     -0.45000000       0.45000000       0.00000000 1.0 
     -0.47500000       0.47500000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.48350805       0.51649195       0.00000000 1.0 
     -0.46701610       0.53298390       0.00000000 1.0 
     -0.45052415       0.54947585       0.00000000 1.0 
     -0.43403220       0.56596780       0.00000000 1.0 
     -0.41754025       0.58245975       0.00000000 1.0 
     -0.40104830       0.59895170       0.00000000 1.0 
     -0.38455635       0.61544365       0.00000000 1.0 
     -0.36806440       0.63193560       0.00000000 1.0 
     -0.36806440       0.63193560       0.00000000 1.0 
     -0.36806440       0.63193560       0.01562500 1.0 
     -0.36806440       0.63193560       0.03125000 1.0 
     -0.36806440       0.63193560       0.04687500 1.0 
     -0.36806440       0.63193560       0.06250000 1.0 
     -0.36806440       0.63193560       0.07812500 1.0 
     -0.36806440       0.63193560       0.09375000 1.0 
     -0.36806440       0.63193560       0.10937500 1.0 
     -0.36806440       0.63193560       0.12500000 1.0 
     -0.36806440       0.63193560       0.14062500 1.0 
     -0.36806440       0.63193560       0.15625000 1.0 
     -0.36806440       0.63193560       0.17187500 1.0 
     -0.36806440       0.63193560       0.18750000 1.0 
     -0.36806440       0.63193560       0.20312500 1.0 
     -0.36806440       0.63193560       0.21875000 1.0 
     -0.36806440       0.63193560       0.23437500 1.0 
     -0.36806440       0.63193560       0.25000000 1.0 
     -0.36806440       0.63193560       0.26562500 1.0 
     -0.36806440       0.63193560       0.28125000 1.0 
     -0.36806440       0.63193560       0.29687500 1.0 
     -0.36806440       0.63193560       0.31250000 1.0 
     -0.36806440       0.63193560       0.32812500 1.0 
     -0.36806440       0.63193560       0.34375000 1.0 
     -0.36806440       0.63193560       0.35937500 1.0 
     -0.36806440       0.63193560       0.37500000 1.0 
     -0.36806440       0.63193560       0.39062500 1.0 
     -0.36806440       0.63193560       0.40625000 1.0 
     -0.36806440       0.63193560       0.42187500 1.0 
     -0.36806440       0.63193560       0.43750000 1.0 
     -0.36806440       0.63193560       0.45312500 1.0 
     -0.36806440       0.63193560       0.46875000 1.0 
     -0.36806440       0.63193560       0.48437500 1.0 
     -0.36806440       0.63193560       0.50000000 1.0 
     -0.36806440       0.63193560       0.50000000 1.0 
     -0.38455635       0.61544365       0.50000000 1.0 
     -0.40104830       0.59895170       0.50000000 1.0 
     -0.41754025       0.58245975       0.50000000 1.0 
     -0.43403220       0.56596780       0.50000000 1.0 
     -0.45052415       0.54947585       0.50000000 1.0 
     -0.46701610       0.53298390       0.50000000 1.0 
     -0.48350805       0.51649195       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.48437500 1.0 
     -0.50000000       0.50000000       0.46875000 1.0 
     -0.50000000       0.50000000       0.45312500 1.0 
     -0.50000000       0.50000000       0.43750000 1.0 
     -0.50000000       0.50000000       0.42187500 1.0 
     -0.50000000       0.50000000       0.40625000 1.0 
     -0.50000000       0.50000000       0.39062500 1.0 
     -0.50000000       0.50000000       0.37500000 1.0 
     -0.50000000       0.50000000       0.35937500 1.0 
     -0.50000000       0.50000000       0.34375000 1.0 
     -0.50000000       0.50000000       0.32812500 1.0 
     -0.50000000       0.50000000       0.31250000 1.0 
     -0.50000000       0.50000000       0.29687500 1.0 
     -0.50000000       0.50000000       0.28125000 1.0 
     -0.50000000       0.50000000       0.26562500 1.0 
     -0.50000000       0.50000000       0.25000000 1.0 
     -0.50000000       0.50000000       0.23437500 1.0 
     -0.50000000       0.50000000       0.21875000 1.0 
     -0.50000000       0.50000000       0.20312500 1.0 
     -0.50000000       0.50000000       0.18750000 1.0 
     -0.50000000       0.50000000       0.17187500 1.0 
     -0.50000000       0.50000000       0.15625000 1.0 
     -0.50000000       0.50000000       0.14062500 1.0 
     -0.50000000       0.50000000       0.12500000 1.0 
     -0.50000000       0.50000000       0.10937500 1.0 
     -0.50000000       0.50000000       0.09375000 1.0 
     -0.50000000       0.50000000       0.07812500 1.0 
     -0.50000000       0.50000000       0.06250000 1.0 
     -0.50000000       0.50000000       0.04687500 1.0 
     -0.50000000       0.50000000       0.03125000 1.0 
     -0.50000000       0.50000000       0.01562500 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.02500000       0.02500000       0.50000000 1.0 
     -0.05000000       0.05000000       0.50000000 1.0 
     -0.07500000       0.07500000       0.50000000 1.0 
     -0.10000000       0.10000000       0.50000000 1.0 
     -0.12500000       0.12500000       0.50000000 1.0 
     -0.15000000       0.15000000       0.50000000 1.0 
     -0.17500000       0.17500000       0.50000000 1.0 
     -0.20000000       0.20000000       0.50000000 1.0 
     -0.22500000       0.22500000       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.27500000       0.27500000       0.50000000 1.0 
     -0.30000000       0.30000000       0.50000000 1.0 
     -0.32500000       0.32500000       0.50000000 1.0 
     -0.35000000       0.35000000       0.50000000 1.0 
     -0.37500000       0.37500000       0.50000000 1.0 
     -0.40000000       0.40000000       0.50000000 1.0 
     -0.42500000       0.42500000       0.50000000 1.0 
     -0.45000000       0.45000000       0.50000000 1.0 
     -0.47500000       0.47500000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

