! Pwscf input file created with ciftopw.py 
! Compound: MnSbS2Br
&control
         calculation     = 'bands'
         prefix          = 'MnSbS2Br'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5112488388673118
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4477390576946465
         celldm(4)       =            0.0166980529092990
         celldm(5)       =            0.0166980529092990
         celldm(6)       =            0.8308426650693334
         nat             =       10
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
332
      0.00000000       0.00000000       0.00000000 1.0 
      0.02000000       0.02000000      -0.00000000 1.0 
      0.04000000       0.04000000      -0.00000000 1.0 
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      0.12000000       0.12000000      -0.00000000 1.0 
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      0.16000000       0.16000000      -0.00000000 1.0 
      0.18000000       0.18000000      -0.00000000 1.0 
      0.20000000       0.20000000      -0.00000000 1.0 
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      0.24000000       0.24000000      -0.00000000 1.0 
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      0.40000000       0.40000000      -0.00000000 1.0 
      0.42000000       0.42000000      -0.00000000 1.0 
      0.44000000       0.44000000      -0.00000000 1.0 
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      0.48000000       0.48000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
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      0.50035102       0.50035102       0.03043402 1.0 
      0.50070204       0.50070204       0.06086804 1.0 
      0.50105307       0.50105307       0.09130206 1.0 
      0.50140409       0.50140409       0.12173608 1.0 
      0.50175511       0.50175511       0.15217010 1.0 
      0.50210613       0.50210613       0.18260412 1.0 
      0.50245716       0.50245716       0.21303814 1.0 
      0.50280818       0.50280818       0.24347216 1.0 
      0.50315920       0.50315920       0.27390619 1.0 
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      0.50386125       0.50386125       0.33477423 1.0 
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      0.50491431       0.50491431       0.42607629 1.0 
      0.50526534       0.50526534       0.45651031 1.0 
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      0.55984938       0.44015062       0.50000000 1.0 
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      0.03028582      -0.03028582       0.50000000 1.0 
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      0.07910138       0.07910138       0.50208891 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

