! Pwscf input file created with ciftopw.py 
! Compound: AlTlCl4
&control
         calculation     = 'bands'
         prefix          = 'AlTlCl4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.2866634286589989
         celldm(2)       =            1.3121888778267674
         celldm(3)       =            1.5532641160574598
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      224.00000000
         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 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
236
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      0.02173913       0.00000000       0.00000000 1.0 
      0.04347826       0.00000000       0.00000000 1.0 
      0.06521739       0.00000000       0.00000000 1.0 
      0.08695652       0.00000000       0.00000000 1.0 
      0.10869565       0.00000000       0.00000000 1.0 
      0.13043478       0.00000000       0.00000000 1.0 
      0.15217391       0.00000000       0.00000000 1.0 
      0.17391304       0.00000000       0.00000000 1.0 
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      0.00000000       0.25000000       0.00000000 1.0 
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      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
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      0.00000000       0.11111111       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.03333333 1.0 
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      0.00000000       0.00000000       0.10000000 1.0 
     -0.00000000       0.00000000       0.13333333 1.0 
     -0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.23333333 1.0 
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      0.00000000       0.00000000       0.36666667 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
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      0.00000000       0.00000000       0.46666667 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
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      0.02173913       0.00000000       0.50000000 1.0 
      0.04347826      -0.00000000       0.50000000 1.0 
      0.06521739       0.00000000       0.50000000 1.0 
      0.08695652       0.00000000       0.50000000 1.0 
      0.10869565      -0.00000000       0.50000000 1.0 
      0.13043478       0.00000000       0.50000000 1.0 
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      0.17391304      -0.00000000       0.50000000 1.0 
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      0.23913043       0.00000000       0.50000000 1.0 
      0.26086957       0.00000000       0.50000000 1.0 
      0.28260870       0.00000000       0.50000000 1.0 
      0.30434783       0.00000000       0.50000000 1.0 
      0.32608696       0.00000000       0.50000000 1.0 
      0.34782609       0.00000000       0.50000000 1.0 
      0.36956522       0.00000000       0.50000000 1.0 
      0.39130435       0.00000000       0.50000000 1.0 
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      0.43478261       0.00000000       0.50000000 1.0 
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      0.50000000       0.05555556       0.50000000 1.0 
      0.50000000       0.08333333       0.50000000 1.0 
      0.50000000       0.11111111       0.50000000 1.0 
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      0.50000000       0.16666667       0.50000000 1.0 
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      0.50000000       0.41666667       0.50000000 1.0 
      0.50000000       0.44444444       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47826087       0.50000000       0.50000000 1.0 
      0.45652174       0.50000000       0.50000000 1.0 
      0.43478261       0.50000000       0.50000000 1.0 
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      0.36956522       0.50000000       0.50000000 1.0 
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      0.32608696       0.50000000       0.50000000 1.0 
      0.30434783       0.50000000       0.50000000 1.0 
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      0.26086957       0.50000000       0.50000000 1.0 
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      0.15217391       0.50000000       0.50000000 1.0 
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     -0.00000000       0.38888889       0.50000000 1.0 
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     -0.00000000       0.30555556       0.50000000 1.0 
     -0.00000000       0.27777778       0.50000000 1.0 
     -0.00000000       0.25000000       0.50000000 1.0 
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     -0.00000000       0.19444444       0.50000000 1.0 
     -0.00000000       0.16666667       0.50000000 1.0 
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     -0.00000000       0.50000000       0.16666667 1.0 
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      0.00000000       0.50000000       0.23333333 1.0 
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      0.00000000       0.50000000       0.36666667 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

