! Pwscf input file created with ciftopw.py 
! Compound: H2SeO3
&control
         calculation     = 'bands'
         prefix          = 'H2SeO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.6205950099990005
         celldm(2)       =            1.1761932822628167
         celldm(3)       =            1.7937536829699467
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 H   1.0079 H.rel-pbe-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
316
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.00000000       0.00000000 1.0 
      0.03225806       0.00000000       0.00000000 1.0 
      0.04838710       0.00000000       0.00000000 1.0 
      0.06451613       0.00000000       0.00000000 1.0 
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      0.11290323      -0.00000000       0.00000000 1.0 
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      0.22580645      -0.00000000       0.00000000 1.0 
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      0.00000000       0.29629630       0.00000000 1.0 
      0.00000000       0.27777778       0.00000000 1.0 
      0.00000000       0.25925926       0.00000000 1.0 
      0.00000000       0.24074074       0.00000000 1.0 
      0.00000000       0.22222222       0.00000000 1.0 
      0.00000000       0.20370370       0.00000000 1.0 
      0.00000000       0.18518519       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.14814815       0.00000000 1.0 
      0.00000000       0.12962963       0.00000000 1.0 
      0.00000000       0.11111111       0.00000000 1.0 
      0.00000000       0.09259259       0.00000000 1.0 
      0.00000000       0.07407407       0.00000000 1.0 
      0.00000000       0.05555556       0.00000000 1.0 
      0.00000000       0.03703704       0.00000000 1.0 
      0.00000000       0.01851852       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01612903       0.00000000       0.50000000 1.0 
      0.03225806       0.00000000       0.50000000 1.0 
      0.04838710      -0.00000000       0.50000000 1.0 
      0.06451613      -0.00000000       0.50000000 1.0 
      0.08064516      -0.00000000       0.50000000 1.0 
      0.09677419      -0.00000000       0.50000000 1.0 
      0.11290323      -0.00000000       0.50000000 1.0 
      0.12903226      -0.00000000       0.50000000 1.0 
      0.14516129      -0.00000000       0.50000000 1.0 
      0.16129032      -0.00000000       0.50000000 1.0 
      0.17741935      -0.00000000       0.50000000 1.0 
      0.19354839      -0.00000000       0.50000000 1.0 
      0.20967742      -0.00000000       0.50000000 1.0 
      0.22580645      -0.00000000       0.50000000 1.0 
      0.24193548       0.00000000       0.50000000 1.0 
      0.25806452       0.00000000       0.50000000 1.0 
      0.27419355      -0.00000000       0.50000000 1.0 
      0.29032258      -0.00000000       0.50000000 1.0 
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      0.33870968       0.00000000       0.50000000 1.0 
      0.35483871      -0.00000000       0.50000000 1.0 
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      0.38709677      -0.00000000       0.50000000 1.0 
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      0.41935484      -0.00000000       0.50000000 1.0 
      0.43548387      -0.00000000       0.50000000 1.0 
      0.45161290      -0.00000000       0.50000000 1.0 
      0.46774194      -0.00000000       0.50000000 1.0 
      0.48387097      -0.00000000       0.50000000 1.0 
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      0.50000000       0.01851852       0.50000000 1.0 
      0.50000000       0.03703704       0.50000000 1.0 
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      0.50000000       0.07407407       0.50000000 1.0 
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      0.50000000       0.11111111       0.50000000 1.0 
      0.50000000       0.12962963       0.50000000 1.0 
      0.50000000       0.14814815       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.18518519       0.50000000 1.0 
      0.50000000       0.20370370       0.50000000 1.0 
      0.50000000       0.22222222       0.50000000 1.0 
      0.50000000       0.24074074       0.50000000 1.0 
      0.50000000       0.25925926       0.50000000 1.0 
      0.50000000       0.27777778       0.50000000 1.0 
      0.50000000       0.29629630       0.50000000 1.0 
      0.50000000       0.31481481       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.35185185       0.50000000 1.0 
      0.50000000       0.37037037       0.50000000 1.0 
      0.50000000       0.38888889       0.50000000 1.0 
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      0.50000000       0.42592593       0.50000000 1.0 
      0.50000000       0.44444444       0.50000000 1.0 
      0.50000000       0.46296296       0.50000000 1.0 
      0.50000000       0.48148148       0.50000000 1.0 
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      0.45161290       0.50000000       0.50000000 1.0 
      0.43548387       0.50000000       0.50000000 1.0 
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      0.40322581       0.50000000       0.50000000 1.0 
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      0.37096774       0.50000000       0.50000000 1.0 
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      0.50000000       0.50000000       0.44444444 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

