! Pwscf input file created with ciftopw.py 
! Compound: GaSeBr7
&control
         calculation     = 'bands'
         prefix          = 'GaSeBr7'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.3720360499829987
         celldm(2)       =            1.0071788605468157
         celldm(3)       =            2.1866503742171988
         celldm(4)       =            0.1925219665259072
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       18
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         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
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
177
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.04166667 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20833333 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.29166667 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.45833333 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02057395       0.50859945 1.0 
      0.00000000       0.04114790       0.51719890 1.0 
      0.00000000       0.06172186       0.52579836 1.0 
      0.00000000       0.08229581       0.53439781 1.0 
      0.00000000       0.10286976       0.54299726 1.0 
      0.00000000       0.12344371       0.55159671 1.0 
      0.00000000       0.14401767       0.56019616 1.0 
      0.00000000       0.16459162       0.56879561 1.0 
      0.00000000       0.18516557       0.57739507 1.0 
      0.00000000       0.20573952       0.58599452 1.0 
      0.00000000       0.22631348       0.59459397 1.0 
      0.00000000       0.24688743       0.60319342 1.0 
      0.00000000       0.26746138       0.61179287 1.0 
      0.00000000       0.28803533       0.62039233 1.0 
      0.00000000       0.30860929       0.62899178 1.0 
      0.00000000       0.32918324       0.63759123 1.0 
      0.00000000       0.34975719       0.64619068 1.0 
      0.00000000       0.37033114       0.65479013 1.0 
      0.00000000       0.39090510       0.66338958 1.0 
      0.00000000       0.41147905       0.67198904 1.0 
      0.00000000       0.43205300       0.68058849 1.0 
      0.00000000       0.45262695       0.68918794 1.0 
      0.00000000       0.47320091       0.69778739 1.0 
      0.00000000       0.47320091       0.69778739 1.0 
      0.00000000       0.47856072       0.65822991 1.0 
      0.00000000       0.48392054       0.61867243 1.0 
      0.00000000       0.48928036       0.57911496 1.0 
      0.00000000       0.49464018       0.53955748 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02083333       0.50000000       0.50000000 1.0 
      0.04166667       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.08333333       0.50000000       0.50000000 1.0 
      0.10416667       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.14583333       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.20833333       0.50000000       0.50000000 1.0 
      0.22916667       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27083333       0.50000000       0.50000000 1.0 
      0.29166667       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.35416667       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.39583333       0.50000000       0.50000000 1.0 
      0.41666667       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.45833333       0.50000000       0.50000000 1.0 
      0.47916667       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50535982       0.46044252 1.0 
      0.50000000       0.51071964       0.42088504 1.0 
      0.50000000       0.51607946       0.38132757 1.0 
      0.50000000       0.52143928       0.34177009 1.0 
      0.50000000       0.52679909       0.30221261 1.0 
      0.50000000       0.52679909       0.30221261 1.0 
      0.50000000       0.52297065       0.25903938 1.0 
      0.50000000       0.51914221       0.21586615 1.0 
      0.50000000       0.51531377       0.17269292 1.0 
      0.50000000       0.51148533       0.12951969 1.0 
      0.50000000       0.50765688       0.08634646 1.0 
      0.50000000       0.50382844       0.04317323 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47916667       0.50000000      -0.00000000 1.0 
      0.45833333       0.50000000      -0.00000000 1.0 
      0.43750000       0.50000000      -0.00000000 1.0 
      0.41666667       0.50000000      -0.00000000 1.0 
      0.39583333       0.50000000      -0.00000000 1.0 
      0.37500000       0.50000000      -0.00000000 1.0 
      0.35416667       0.50000000      -0.00000000 1.0 
      0.33333333       0.50000000      -0.00000000 1.0 
      0.31250000       0.50000000      -0.00000000 1.0 
      0.29166667       0.50000000      -0.00000000 1.0 
      0.27083333       0.50000000      -0.00000000 1.0 
      0.25000000       0.50000000      -0.00000000 1.0 
      0.22916667       0.50000000      -0.00000000 1.0 
      0.20833333       0.50000000      -0.00000000 1.0 
      0.18750000       0.50000000      -0.00000000 1.0 
      0.16666667       0.50000000      -0.00000000 1.0 
      0.14583333       0.50000000      -0.00000000 1.0 
      0.12500000       0.50000000      -0.00000000 1.0 
      0.10416667       0.50000000      -0.00000000 1.0 
      0.08333333       0.50000000      -0.00000000 1.0 
      0.06250000       0.50000000      -0.00000000 1.0 
      0.04166667       0.50000000      -0.00000000 1.0 
      0.02083333       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50382844       0.04317323 1.0 
      0.00000000       0.50765688       0.08634646 1.0 
      0.00000000       0.51148533       0.12951969 1.0 
      0.00000000       0.51531377       0.17269292 1.0 
      0.00000000       0.51914221       0.21586615 1.0 
      0.00000000       0.52297065       0.25903938 1.0 
      0.00000000       0.52679909       0.30221261 1.0 
      0.50000000       0.47320091       0.69778739 1.0 
      0.50000000       0.45262695       0.68918794 1.0 
      0.50000000       0.43205300       0.68058849 1.0 
      0.50000000       0.41147905       0.67198904 1.0 
      0.50000000       0.39090510       0.66338958 1.0 
      0.50000000       0.37033114       0.65479013 1.0 
      0.50000000       0.34975719       0.64619068 1.0 
      0.50000000       0.32918324       0.63759123 1.0 
      0.50000000       0.30860929       0.62899178 1.0 
      0.50000000       0.28803533       0.62039233 1.0 
      0.50000000       0.26746138       0.61179287 1.0 
      0.50000000       0.24688743       0.60319342 1.0 
      0.50000000       0.22631348       0.59459397 1.0 
      0.50000000       0.20573952       0.58599452 1.0 
      0.50000000       0.18516557       0.57739507 1.0 
      0.50000000       0.16459162       0.56879561 1.0 
      0.50000000       0.14401767       0.56019616 1.0 
      0.50000000       0.12344371       0.55159671 1.0 
      0.50000000       0.10286976       0.54299726 1.0 
      0.50000000       0.08229581       0.53439781 1.0 
      0.50000000       0.06172186       0.52579836 1.0 
      0.50000000       0.04114790       0.51719890 1.0 
      0.50000000       0.02057395       0.50859945 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.45833333 1.0 
      0.50000000       0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.29166667 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.20833333 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.08333333 1.0 
      0.50000000       0.00000000       0.04166667 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02083333       0.00000000       0.50000000 1.0 
      0.04166667       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.08333333       0.00000000       0.50000000 1.0 
      0.10416667       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.14583333       0.00000000       0.50000000 1.0 
      0.16666667       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.20833333       0.00000000       0.50000000 1.0 
      0.22916667       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27083333       0.00000000       0.50000000 1.0 
      0.29166667       0.00000000       0.50000000 1.0 
      0.31250000       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.35416667       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.39583333       0.00000000       0.50000000 1.0 
      0.41666667       0.00000000       0.50000000 1.0 
      0.43750000       0.00000000       0.50000000 1.0 
      0.45833333       0.00000000       0.50000000 1.0 
      0.47916667       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

