! Pwscf input file created with ciftopw.py 
! Compound: AlTl2F5
&control
         calculation     = 'bands'
         prefix          = 'AlTl2F5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.2868960755999019
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1473488333587702
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.1969589807760088
         nat             =       16
         ntyp            =        3
         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
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
284
      0.00000000       0.00000000       0.00000000 1.0 
      0.01305391       0.01305391       0.00000000 1.0 
      0.02610783       0.02610783       0.00000000 1.0 
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      0.09137740       0.09137740       0.00000000 1.0 
      0.10443131       0.10443131       0.00000000 1.0 
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      0.18275480       0.18275480       0.00000000 1.0 
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      0.27413220       0.27413220       0.00000000 1.0 
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      0.32634786       0.32634786       0.50000000 1.0 
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      0.20886263       0.20886263       0.50000000 1.0 
      0.19580872       0.19580872       0.50000000 1.0 
      0.18275480       0.18275480       0.50000000 1.0 
      0.16970089       0.16970089       0.50000000 1.0 
      0.15664697       0.15664697       0.50000000 1.0 
      0.14359306       0.14359306       0.50000000 1.0 
      0.13053914       0.13053914       0.50000000 1.0 
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      0.09137740       0.09137740       0.50000000 1.0 
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      0.05221566       0.05221566       0.50000000 1.0 
      0.03916174       0.03916174       0.50000000 1.0 
      0.02610783       0.02610783       0.50000000 1.0 
      0.01305391       0.01305391       0.50000000 1.0 
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      0.00000000      -0.00000000       0.45454545 1.0 
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      0.00000000      -0.00000000       0.34090909 1.0 
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      0.00000000       0.00000000       0.29545455 1.0 
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      0.00000000      -0.00000000       0.20454545 1.0 
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