! Pwscf input file created with ciftopw.py 
! Compound: HgPb2(ClO)2
&control
         calculation     = 'bands'
         prefix          = 'HgPb2xClOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.7347664246348558
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2478720205303662
         celldm(4)       =            0.5119320075663902
         celldm(5)       =            0.5119320075663902
         celldm(6)       =            0.8017686714135204
         nat             =        7
         ntyp            =        4
         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 
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
345
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      0.02173913       0.00000000       0.02173913 1.0 
      0.01086957       0.00000000       0.01086957 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

