! Pwscf input file created with ciftopw.py 
! Compound: CdSb6(S2I)4
&control
         calculation     = 'bands'
         prefix          = 'CdSb6xS2Ix4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.7311936540438033
         celldm(2)       =            1.2196136866503313
         celldm(3)       =            1.2266324519424967
         celldm(4)       =            0.0155328056799652
         celldm(5)       =           -0.3260808819214132
         celldm(6)       =           -0.1037630249963108
         nat             =       19
         ntyp            =        4
         ecutwfc         =       40.00000000
         ecutrho         =      639.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cd 112.4110 Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
178
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     -0.50000000      -0.50000000       0.50000000 1.0 
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