! Pwscf input file created with ciftopw.py 
! Compound: BaSbSe2F
&control
         calculation     = 'bands'
         prefix          = 'BaSbSe2F'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.7057186662615997
         celldm(2)       =            1.0221328942270436
         celldm(3)       =            2.2284644194756544
         celldm(4)       =           -0.0812427045647054
         celldm(5)       =           -0.0840256798546362
         celldm(6)       =            0.0031415874858797
         nat             =       20
         ntyp            =        4
         ecutwfc         =       50.00000000
         ecutrho         =      317.00000000
         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 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
198
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     -0.31081081      -0.31081081       0.31081081 1.0 
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