! Pwscf input file created with ciftopw.py 
! Compound: BaAl2Sb2O7
&control
         calculation     = 'bands'
         prefix          = 'BaAl2Sb2O7'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.1141742000662411
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.7953832993928834
         celldm(5)       =            0.7953832993928834
         celldm(6)       =            0.7953832993928835
         nat             =       12
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
233
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.00000000       0.00000000 1.0 
      0.02941176       0.00000000       0.00000000 1.0 
      0.04411765       0.00000000       0.00000000 1.0 
      0.05882353       0.00000000       0.00000000 1.0 
      0.07352941       0.00000000       0.00000000 1.0 
      0.08823529       0.00000000       0.00000000 1.0 
      0.10294118      -0.00000000       0.00000000 1.0 
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      0.13235294       0.00000000       0.00000000 1.0 
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      0.16176471      -0.00000000      -0.00000000 1.0 
      0.17647059       0.00000000       0.00000000 1.0 
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      0.32352941      -0.00000000      -0.00000000 1.0 
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      0.61086361       0.50000000       0.38913639 1.0 
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      0.54263985       0.50000000       0.45736015 1.0 
      0.53411188       0.50000000       0.46588812 1.0 
      0.52558391       0.50000000       0.47441609 1.0 
      0.51705594       0.50000000       0.48294406 1.0 
      0.50852797       0.50000000       0.49147203 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.47500000       0.47500000       0.47500000 1.0 
      0.45000000       0.45000000       0.45000000 1.0 
      0.42500000       0.42500000       0.42500000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.35000000       0.35000000       0.35000000 1.0 
      0.32500000       0.32500000       0.32500000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.27500000       0.27500000       0.27500000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.22500000       0.22500000       0.22500000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.17500000       0.17500000       0.17500000 1.0 
      0.15000000       0.15000000       0.15000000 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.07500000       0.07500000       0.07500000 1.0 
      0.05000000       0.05000000       0.05000000 1.0 
      0.02500000       0.02500000       0.02500000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00866241       0.00000000      -0.00866241 1.0 
      0.01732483       0.00000000      -0.01732483 1.0 
      0.02598724       0.00000000      -0.02598724 1.0 
      0.03464965       0.00000000      -0.03464965 1.0 
      0.04331207      -0.00000000      -0.04331207 1.0 
      0.05197448       0.00000000      -0.05197448 1.0 
      0.06063689       0.00000000      -0.06063689 1.0 
      0.06929931       0.00000000      -0.06929931 1.0 
      0.07796172       0.00000000      -0.07796172 1.0 
      0.08662413      -0.00000000      -0.08662413 1.0 
      0.09528655       0.00000000      -0.09528655 1.0 
      0.10394896       0.00000000      -0.10394896 1.0 
      0.11261137       0.00000000      -0.11261137 1.0 
      0.12127379       0.00000000      -0.12127379 1.0 
      0.12993620       0.00000000      -0.12993620 1.0 
      0.13859861       0.00000000      -0.13859861 1.0 
      0.14726103      -0.00000000      -0.14726103 1.0 
      0.15592344       0.00000000      -0.15592344 1.0 
      0.16458585       0.00000000      -0.16458585 1.0 
      0.17324827      -0.00000000      -0.17324827 1.0 
      0.18191068      -0.00000000      -0.18191068 1.0 
      0.19057309       0.00000000      -0.19057309 1.0 
      0.19923551       0.00000000      -0.19923551 1.0 
      0.20789792       0.00000000      -0.20789792 1.0 
      0.21656033      -0.00000000      -0.21656033 1.0 
      0.22522275       0.00000000      -0.22522275 1.0 
      0.23388516      -0.00000000      -0.23388516 1.0 
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      0.57675173       0.57675173       0.09649654 1.0 
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      0.64855174       0.64855174       0.20289652 1.0 
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      0.58417932       0.58417932       0.33164136 1.0 
      0.57922759       0.57922759       0.34154481 1.0 
      0.57427587       0.57427587       0.35144826 1.0 
      0.56932415       0.56932415       0.36135171 1.0 
      0.56437242       0.56437242       0.37125516 1.0 
      0.55942070       0.55942070       0.38115861 1.0 
      0.55446897       0.55446897       0.39106206 1.0 
      0.54951725       0.54951725       0.40096551 1.0 
      0.54456552       0.54456552       0.41086896 1.0 
      0.53961380       0.53961380       0.42077241 1.0 
      0.53466207       0.53466207       0.43067585 1.0 
      0.52971035       0.52971035       0.44057930 1.0 
      0.52475862       0.52475862       0.45048275 1.0 
      0.51980690       0.51980690       0.46038620 1.0 
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      0.56578720       0.07424926       0.07424926 1.0 
      0.58771627       0.09899901       0.09899901 1.0 
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      0.80700693       0.34649654       0.34649654 1.0 

