! Pwscf input file created with ciftopw.py 
! Compound: HOF
&control
         calculation     = 'bands'
         prefix          = 'HOF'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.7006334051750001
         celldm(2)       =            1.2368098159509202
         celldm(3)       =            1.4574233128834355
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       12
         ntyp            =        3
         ecutwfc         =       50.00000000
         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 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
404
      0.00000000       0.00000000       0.00000000 1.0 
      0.01282051       0.00000000       0.00000000 1.0 
      0.02564103       0.00000000       0.00000000 1.0 
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      0.06410256      -0.00000000       0.00000000 1.0 
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      0.00000000       0.45312500       0.00000000 1.0 
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      0.00000000       0.42187500       0.00000000 1.0 
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      0.00000000       0.39062500       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.35937500       0.00000000 1.0 
      0.00000000       0.34375000       0.00000000 1.0 
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      0.00000000       0.31250000       0.00000000 1.0 
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      0.00000000       0.28125000       0.00000000 1.0 
      0.00000000       0.26562500       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.23437500       0.00000000 1.0 
      0.00000000       0.21875000       0.00000000 1.0 
      0.00000000       0.20312500       0.00000000 1.0 
      0.00000000       0.18750000       0.00000000 1.0 
      0.00000000       0.17187500       0.00000000 1.0 
      0.00000000       0.15625000       0.00000000 1.0 
      0.00000000       0.14062500       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
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      0.00000000       0.09375000       0.00000000 1.0 
      0.00000000       0.07812500       0.00000000 1.0 
      0.00000000       0.06250000       0.00000000 1.0 
      0.00000000       0.04687500       0.00000000 1.0 
      0.00000000       0.03125000       0.00000000 1.0 
      0.00000000       0.01562500       0.00000000 1.0 
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      0.00000000       0.00000000       0.03703704 1.0 
      0.00000000      -0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.07407407 1.0 
      0.00000000      -0.00000000       0.09259259 1.0 
      0.00000000      -0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000       0.00000000       0.14814815 1.0 
     -0.00000000       0.00000000       0.16666667 1.0 
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      0.00000000       0.00000000       0.20370370 1.0 
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      0.00000000       0.00000000       0.24074074 1.0 
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      0.00000000       0.00000000       0.27777778 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.16666667      -0.00000000       0.50000000 1.0 
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      0.50000000       0.50000000       0.03703704 1.0 
      0.50000000       0.50000000       0.05555556 1.0 
      0.50000000       0.50000000       0.07407407 1.0 
      0.50000000       0.50000000       0.09259259 1.0 
      0.50000000       0.50000000       0.11111111 1.0 
      0.50000000       0.50000000       0.12962963 1.0 
      0.50000000       0.50000000       0.14814815 1.0 
      0.50000000       0.50000000       0.16666667 1.0 
      0.50000000       0.50000000       0.18518519 1.0 
      0.50000000       0.50000000       0.20370370 1.0 
      0.50000000       0.50000000       0.22222222 1.0 
      0.50000000       0.50000000       0.24074074 1.0 
      0.50000000       0.50000000       0.25925926 1.0 
      0.50000000       0.50000000       0.27777778 1.0 
      0.50000000       0.50000000       0.29629630 1.0 
      0.50000000       0.50000000       0.31481481 1.0 
      0.50000000       0.50000000       0.33333333 1.0 
      0.50000000       0.50000000       0.35185185 1.0 
      0.50000000       0.50000000       0.37037037 1.0 
      0.50000000       0.50000000       0.38888889 1.0 
      0.50000000       0.50000000       0.40740741 1.0 
      0.50000000       0.50000000       0.42592593 1.0 
      0.50000000       0.50000000       0.44444444 1.0 
      0.50000000       0.50000000       0.46296296 1.0 
      0.50000000       0.50000000       0.48148148 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

