! Pwscf input file created with ciftopw.py 
! Compound: TaTlS3
&control
         calculation     = 'bands'
         prefix          = 'TaTlS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            6.6197101394670002
         celldm(2)       =            2.6343134456180417
         celldm(3)       =            4.0562375107051096
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      265.00000000
         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 
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
312
      0.00000000       0.00000000       0.00000000 1.0 
      0.01111111       0.00000000       0.00000000 1.0 
      0.02222222       0.00000000       0.00000000 1.0 
      0.03333333      -0.00000000       0.00000000 1.0 
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      0.05555556      -0.00000000       0.00000000 1.0 
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      0.08888889       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11111111      -0.00000000       0.00000000 1.0 
      0.12222222       0.00000000       0.00000000 1.0 
      0.13333333      -0.00000000       0.00000000 1.0 
      0.14444444      -0.00000000       0.00000000 1.0 
      0.15555556      -0.00000000       0.00000000 1.0 
      0.16666667      -0.00000000       0.00000000 1.0 
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      0.26666667      -0.00000000       0.00000000 1.0 
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      0.30000000      -0.00000000       0.00000000 1.0 
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      0.50000000       0.16666667       0.00000000 1.0 
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      0.48888889       0.50000000       0.00000000 1.0 
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      0.21111111       0.50000000       0.00000000 1.0 
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      0.10000000       0.50000000       0.00000000 1.0 
      0.08888889       0.50000000       0.00000000 1.0 
      0.07777778       0.50000000       0.00000000 1.0 
      0.06666667       0.50000000       0.00000000 1.0 
      0.05555556       0.50000000       0.00000000 1.0 
      0.04444444       0.50000000       0.00000000 1.0 
      0.03333333       0.50000000       0.00000000 1.0 
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      0.01111111       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47222222       0.00000000 1.0 
      0.00000000       0.44444444       0.00000000 1.0 
      0.00000000       0.41666667       0.00000000 1.0 
      0.00000000       0.38888889       0.00000000 1.0 
      0.00000000       0.36111111       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.30555556       0.00000000 1.0 
      0.00000000       0.27777778       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.22222222       0.00000000 1.0 
      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.13888889       0.00000000 1.0 
      0.00000000       0.11111111       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
      0.00000000       0.05555556       0.00000000 1.0 
      0.00000000       0.02777778       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      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 
      0.01111111      -0.00000000       0.50000000 1.0 
      0.02222222      -0.00000000       0.50000000 1.0 
      0.03333333      -0.00000000       0.50000000 1.0 
      0.04444444      -0.00000000       0.50000000 1.0 
      0.05555556      -0.00000000       0.50000000 1.0 
      0.06666667      -0.00000000       0.50000000 1.0 
      0.07777778       0.00000000       0.50000000 1.0 
      0.08888889       0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.11111111      -0.00000000       0.50000000 1.0 
      0.12222222       0.00000000       0.50000000 1.0 
      0.13333333      -0.00000000       0.50000000 1.0 
      0.14444444      -0.00000000       0.50000000 1.0 
      0.15555556      -0.00000000       0.50000000 1.0 
      0.16666667      -0.00000000       0.50000000 1.0 
      0.17777778      -0.00000000       0.50000000 1.0 
      0.18888889      -0.00000000       0.50000000 1.0 
      0.20000000      -0.00000000       0.50000000 1.0 
      0.21111111      -0.00000000       0.50000000 1.0 
      0.22222222      -0.00000000       0.50000000 1.0 
      0.23333333      -0.00000000       0.50000000 1.0 
      0.24444444      -0.00000000       0.50000000 1.0 
      0.25555556      -0.00000000       0.50000000 1.0 
      0.26666667      -0.00000000       0.50000000 1.0 
      0.27777778      -0.00000000       0.50000000 1.0 
      0.28888889      -0.00000000       0.50000000 1.0 
      0.30000000      -0.00000000       0.50000000 1.0 
      0.31111111      -0.00000000       0.50000000 1.0 
      0.32222222      -0.00000000       0.50000000 1.0 
      0.33333333      -0.00000000       0.50000000 1.0 
      0.34444444      -0.00000000       0.50000000 1.0 
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      0.36666667      -0.00000000       0.50000000 1.0 
      0.37777778       0.00000000       0.50000000 1.0 
      0.38888889      -0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.41111111      -0.00000000       0.50000000 1.0 
      0.42222222       0.00000000       0.50000000 1.0 
      0.43333333      -0.00000000       0.50000000 1.0 
      0.44444444      -0.00000000       0.50000000 1.0 
      0.45555556      -0.00000000       0.50000000 1.0 
      0.46666667       0.00000000       0.50000000 1.0 
      0.47777778      -0.00000000       0.50000000 1.0 
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      0.50000000      -0.00000000       0.50000000 1.0 
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      0.50000000       0.02777778       0.50000000 1.0 
      0.50000000       0.05555556       0.50000000 1.0 
      0.50000000       0.08333333       0.50000000 1.0 
      0.50000000       0.11111111       0.50000000 1.0 
      0.50000000       0.13888889       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.19444444       0.50000000 1.0 
      0.50000000       0.22222222       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
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      0.50000000       0.30555556       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.36111111       0.50000000 1.0 
      0.50000000       0.38888889       0.50000000 1.0 
      0.50000000       0.41666667       0.50000000 1.0 
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      0.48888889       0.50000000       0.50000000 1.0 
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      0.36666667       0.50000000       0.50000000 1.0 
      0.35555556       0.50000000       0.50000000 1.0 
      0.34444444       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.32222222       0.50000000       0.50000000 1.0 
      0.31111111       0.50000000       0.50000000 1.0 
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      0.24444444       0.50000000       0.50000000 1.0 
      0.23333333       0.50000000       0.50000000 1.0 
      0.22222222       0.50000000       0.50000000 1.0 
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      0.10000000       0.50000000       0.50000000 1.0 
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      0.00000000       0.38888889       0.50000000 1.0 
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      0.50000000       0.50000000       0.41666667 1.0 
      0.50000000       0.50000000       0.45833333 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

