! Pwscf input file created with ciftopw.py 
! Compound: AsPb2Cl2O3
&control
         calculation     = 'bands'
         prefix          = 'AsPb2Cl2O3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.4407360892250001
         celldm(2)       =            1.1601809954751132
         celldm(3)       =            1.6819909502262442
         celldm(4)       =            0.0120424807503092
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        4
         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 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Pb 207.2000 Pb.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
218
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      0.00000000       0.00000000       0.05882353 1.0 
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      0.50000000       0.50312102       0.37573201 1.0 
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      0.50000000       0.50216070       0.26012216 1.0 
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      0.50000000       0.50072023       0.08670739 1.0 
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      0.50000000       0.50024008       0.02890246 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.50048016       0.05780493 1.0 
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      0.00000000       0.50096031       0.11560985 1.0 
      0.00000000       0.50120039       0.14451231 1.0 
      0.00000000       0.50144047       0.17341478 1.0 
      0.00000000       0.50168055       0.20231724 1.0 
      0.00000000       0.50192063       0.23121970 1.0 
      0.00000000       0.50216070       0.26012216 1.0 
      0.00000000       0.50240078       0.28902463 1.0 
      0.00000000       0.50264086       0.31792709 1.0 
      0.00000000       0.50288094       0.34682955 1.0 
      0.00000000       0.50312102       0.37573201 1.0 
      0.00000000       0.50336110       0.40463448 1.0 
      0.00000000       0.50360117       0.43353694 1.0 
      0.00000000       0.50384125       0.46243940 1.0 
      0.00000000       0.50408133       0.49134187 1.0 
      0.50000000       0.49591867       0.50865813 1.0 
      0.50000000       0.47608192       0.50831181 1.0 
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      0.50000000       0.00000000       0.08823529 1.0 
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      0.06896552       0.00000000       0.50000000 1.0 
      0.08620690       0.00000000       0.50000000 1.0 
      0.10344828       0.00000000       0.50000000 1.0 
      0.12068966       0.00000000       0.50000000 1.0 
      0.13793103       0.00000000       0.50000000 1.0 
      0.15517241       0.00000000       0.50000000 1.0 
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      0.39655172       0.00000000       0.50000000 1.0 
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      0.46551724       0.00000000       0.50000000 1.0 
      0.48275862       0.00000000       0.50000000 1.0 
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