! Pwscf input file created with ciftopw.py 
! Compound: CrHgF6
&control
         calculation     = 'bands'
         prefix          = 'CrHgF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.5850781557689650
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5809406152206363
         celldm(5)       =            0.5809406152206363
         celldm(6)       =            0.5809406152206363
         nat             =        8
         ntyp            =        3
         ecutwfc         =       80.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
Hg 200.5900 Hg.rel-pbe-n-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
271
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      0.02941176       0.02941176       0.02941176 1.0 
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      0.76871995       0.36564003       0.36564003 1.0 

