! Pwscf input file created with ciftopw.py 
! Compound: CsTlBr4
&control
         calculation     = 'bands'
         prefix          = 'CsTlBr4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.8081848082441994
         celldm(2)       =            1.1224438608398006
         celldm(3)       =            2.6099766886010216
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
228
      0.00000000       0.00000000       0.00000000 1.0 
      0.02083333       0.00000000       0.00000000 1.0 
      0.04166667       0.00000000       0.00000000 1.0 
      0.06250000      -0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.10416667      -0.00000000       0.00000000 1.0 
      0.12500000      -0.00000000       0.00000000 1.0 
      0.14583333       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20833333      -0.00000000       0.00000000 1.0 
      0.22916667       0.00000000       0.00000000 1.0 
      0.25000000      -0.00000000       0.00000000 1.0 
      0.27083333      -0.00000000       0.00000000 1.0 
      0.29166667       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.35416667       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
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      0.41666667      -0.00000000       0.00000000 1.0 
      0.43750000      -0.00000000       0.00000000 1.0 
      0.45833333       0.00000000       0.00000000 1.0 
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      0.50000000      -0.00000000       0.00000000 1.0 
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      0.50000000       0.02380952       0.00000000 1.0 
      0.50000000       0.04761905       0.00000000 1.0 
      0.50000000       0.07142857       0.00000000 1.0 
      0.50000000       0.09523810       0.00000000 1.0 
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      0.50000000       0.14285714       0.00000000 1.0 
      0.50000000       0.16666667       0.00000000 1.0 
      0.50000000       0.19047619       0.00000000 1.0 
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      0.50000000       0.23809524       0.00000000 1.0 
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      0.47916667       0.50000000       0.00000000 1.0 
      0.45833333       0.50000000       0.00000000 1.0 
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      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       0.47619048       0.00000000 1.0 
      0.00000000       0.45238095       0.00000000 1.0 
      0.00000000       0.42857143       0.00000000 1.0 
      0.00000000       0.40476190       0.00000000 1.0 
      0.00000000       0.38095238       0.00000000 1.0 
      0.00000000       0.35714286       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.30952381       0.00000000 1.0 
      0.00000000       0.28571429       0.00000000 1.0 
      0.00000000       0.26190476       0.00000000 1.0 
      0.00000000       0.23809524       0.00000000 1.0 
      0.00000000       0.21428571       0.00000000 1.0 
      0.00000000       0.19047619       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.14285714       0.00000000 1.0 
      0.00000000       0.11904762       0.00000000 1.0 
      0.00000000       0.09523810       0.00000000 1.0 
      0.00000000       0.07142857       0.00000000 1.0 
      0.00000000       0.04761905       0.00000000 1.0 
      0.00000000       0.02380952       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.05555556 1.0 
      0.00000000      -0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.38888889 1.0 
      0.00000000      -0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.50000000 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 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02380952       0.50000000 1.0 
      0.50000000       0.04761905       0.50000000 1.0 
      0.50000000       0.07142857       0.50000000 1.0 
      0.50000000       0.09523810       0.50000000 1.0 
      0.50000000       0.11904762       0.50000000 1.0 
      0.50000000       0.14285714       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.19047619       0.50000000 1.0 
      0.50000000       0.21428571       0.50000000 1.0 
      0.50000000       0.23809524       0.50000000 1.0 
      0.50000000       0.26190476       0.50000000 1.0 
      0.50000000       0.28571429       0.50000000 1.0 
      0.50000000       0.30952381       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.35714286       0.50000000 1.0 
      0.50000000       0.38095238       0.50000000 1.0 
      0.50000000       0.40476190       0.50000000 1.0 
      0.50000000       0.42857143       0.50000000 1.0 
      0.50000000       0.45238095       0.50000000 1.0 
      0.50000000       0.47619048       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47916667       0.50000000       0.50000000 1.0 
      0.45833333       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.41666667       0.50000000       0.50000000 1.0 
      0.39583333       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.35416667       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.29166667       0.50000000       0.50000000 1.0 
      0.27083333       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.22916667       0.50000000       0.50000000 1.0 
      0.20833333       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.14583333       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.10416667       0.50000000       0.50000000 1.0 
      0.08333333       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.04166667       0.50000000       0.50000000 1.0 
      0.02083333       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.47619048       0.50000000 1.0 
      0.00000000       0.45238095       0.50000000 1.0 
      0.00000000       0.42857143       0.50000000 1.0 
      0.00000000       0.40476190       0.50000000 1.0 
      0.00000000       0.38095238       0.50000000 1.0 
      0.00000000       0.35714286       0.50000000 1.0 
      0.00000000       0.33333333       0.50000000 1.0 
      0.00000000       0.30952381       0.50000000 1.0 
      0.00000000       0.28571429       0.50000000 1.0 
      0.00000000       0.26190476       0.50000000 1.0 
      0.00000000       0.23809524       0.50000000 1.0 
      0.00000000       0.21428571       0.50000000 1.0 
      0.00000000       0.19047619       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
      0.00000000       0.14285714       0.50000000 1.0 
      0.00000000       0.11904762       0.50000000 1.0 
      0.00000000       0.09523810       0.50000000 1.0 
      0.00000000       0.07142857       0.50000000 1.0 
      0.00000000       0.04761905       0.50000000 1.0 
      0.00000000       0.02380952       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.05555556 1.0 
      0.00000000       0.50000000       0.11111111 1.0 
      0.00000000       0.50000000       0.16666667 1.0 
      0.00000000       0.50000000       0.22222222 1.0 
      0.00000000       0.50000000       0.27777778 1.0 
      0.00000000       0.50000000       0.33333333 1.0 
      0.00000000       0.50000000       0.38888889 1.0 
      0.00000000       0.50000000       0.44444444 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.50000000      -0.00000000       0.44444444 1.0 
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      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000      -0.00000000       0.27777778 1.0 
      0.50000000      -0.00000000       0.22222222 1.0 
      0.50000000      -0.00000000       0.16666667 1.0 
      0.50000000      -0.00000000       0.11111111 1.0 
      0.50000000       0.00000000       0.05555556 1.0 
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      0.50000000       0.50000000       0.05555556 1.0 
      0.50000000       0.50000000       0.11111111 1.0 
      0.50000000       0.50000000       0.16666667 1.0 
      0.50000000       0.50000000       0.22222222 1.0 
      0.50000000       0.50000000       0.27777778 1.0 
      0.50000000       0.50000000       0.33333333 1.0 
      0.50000000       0.50000000       0.38888889 1.0 
      0.50000000       0.50000000       0.44444444 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

