! Pwscf input file created with ciftopw.py 
! Compound: HgPt3
&control
         calculation     = 'bands'
         prefix          = 'HgPt3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.9351289119310522
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.4976409410617777
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.3385985865437191
         nat             =        4
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      433.00000000
         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 
Pt 195.0840 Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
400
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      0.01131894       0.01131894       0.00000000 1.0 
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      0.36220603       0.36220603       0.50000000 1.0 
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      0.33956816       0.33956816       0.50000000 1.0 
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      0.27165453       0.27165453       0.50000000 1.0 
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      0.24901665       0.24901665       0.50000000 1.0 
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      0.22637877       0.22637877       0.50000000 1.0 
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      0.19242196       0.19242196       0.50000000 1.0 
      0.18110302       0.18110302       0.50000000 1.0 
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      0.15846514       0.15846514       0.50000000 1.0 
      0.14714620       0.14714620       0.50000000 1.0 
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     -0.50000000       0.50000000       0.50000000 1.0 

