! Pwscf input file created with ciftopw.py 
! Compound: BaBi4(ClO3)2
&control
         calculation     = 'bands'
         prefix          = 'BaBi4xClO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           30.1179419610398149
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.9685368158943620
         celldm(5)       =           -0.9685368158943620
         celldm(6)       =            0.9370736317887239
         nat             =       13
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      457.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Bi 208.9804 Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
310
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00892857 1.0 
      0.00000000       0.00000000       0.01785714 1.0 
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      0.00000000       0.00000000       0.04464286 1.0 
      0.00000000       0.00000000       0.05357143 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
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      0.00000000       0.00000000       0.10714286 1.0 
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     -0.12067881       0.12067881       0.12067881 1.0 
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     -0.10162426       0.10162426       0.10162426 1.0 
     -0.09527275       0.09527275       0.09527275 1.0 
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     -0.08256971       0.08256971       0.08256971 1.0 
     -0.07621820       0.07621820       0.07621820 1.0 
     -0.06986668       0.06986668       0.06986668 1.0 
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     -0.05716365       0.05716365       0.05716365 1.0 
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     -0.04446062       0.04446062       0.04446062 1.0 
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     -0.02540607       0.02540607       0.02540607 1.0 
     -0.01905455       0.01905455       0.01905455 1.0 
     -0.01270303       0.01270303       0.01270303 1.0 
     -0.00635152       0.00635152       0.00635152 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.33604044       0.66395956      -0.33604044 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
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      0.20833333       0.20833333       0.29166667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

