! Pwscf input file created with ciftopw.py 
! Compound: Tl2Te3
&control
         calculation     = 'bands'
         prefix          = 'Tl2Te3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.0000754325019869
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0676894310360623
         celldm(4)       =            0.2638074247828274
         celldm(5)       =            0.2638074247828274
         celldm(6)       =            0.6089298191114326
         nat             =       10
         ntyp            =        2
         ecutwfc         =       45.00000000
         ecutrho         =      211.00000000
         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 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
236
      0.00000000       0.00000000       0.00000000 1.0 
      0.02000000       0.02000000       0.00000000 1.0 
      0.04000000       0.04000000       0.00000000 1.0 
      0.06000000       0.06000000       0.00000000 1.0 
      0.08000000       0.08000000       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.12000000       0.12000000       0.00000000 1.0 
      0.14000000       0.14000000       0.00000000 1.0 
      0.16000000       0.16000000       0.00000000 1.0 
      0.18000000       0.18000000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.22000000       0.22000000       0.00000000 1.0 
      0.24000000       0.24000000       0.00000000 1.0 
      0.26000000       0.26000000       0.00000000 1.0 
      0.28000000       0.28000000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.32000000       0.32000000       0.00000000 1.0 
      0.34000000       0.34000000       0.00000000 1.0 
      0.36000000       0.36000000       0.00000000 1.0 
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      0.40000000       0.40000000       0.00000000 1.0 
      0.42000000       0.42000000       0.00000000 1.0 
      0.44000000       0.44000000       0.00000000 1.0 
      0.46000000       0.46000000       0.00000000 1.0 
      0.48000000       0.48000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50585930       0.50585930       0.02371395 1.0 
      0.51171861       0.51171861       0.04742790 1.0 
      0.51757791       0.51757791       0.07114185 1.0 
      0.52343721       0.52343721       0.09485580 1.0 
      0.52929652       0.52929652       0.11856975 1.0 
      0.53515582       0.53515582       0.14228370 1.0 
      0.54101512       0.54101512       0.16599765 1.0 
      0.54687443       0.54687443       0.18971160 1.0 
      0.55273373       0.55273373       0.21342555 1.0 
      0.55859303       0.55859303       0.23713950 1.0 
      0.56445234       0.56445234       0.26085345 1.0 
      0.57031164       0.57031164       0.28456740 1.0 
      0.57617094       0.57617094       0.30828135 1.0 
      0.58203025       0.58203025       0.33199530 1.0 
      0.58788955       0.58788955       0.35570925 1.0 
      0.58788955       0.58788955       0.35570925 1.0 
      0.57812404       0.57812404       0.37174156 1.0 
      0.56835854       0.56835854       0.38777386 1.0 
      0.55859303       0.55859303       0.40380617 1.0 
      0.54882753       0.54882753       0.41983847 1.0 
      0.53906202       0.53906202       0.43587078 1.0 
      0.52929652       0.52929652       0.45190308 1.0 
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      0.02060552       0.02060552       0.50721454 1.0 
      0.04121105       0.04121105       0.51442907 1.0 
      0.06181657       0.06181657       0.52164361 1.0 
      0.08242209       0.08242209       0.52885815 1.0 
      0.10302761       0.10302761       0.53607269 1.0 
      0.12363314       0.12363314       0.54328722 1.0 
      0.14423866       0.14423866       0.55050176 1.0 
      0.16484418       0.16484418       0.55771630 1.0 
      0.18544970       0.18544970       0.56493084 1.0 
      0.20605523       0.20605523       0.57214537 1.0 
      0.22666075       0.22666075       0.57935991 1.0 
      0.24726627       0.24726627       0.58657445 1.0 
      0.26787179       0.26787179       0.59378899 1.0 
      0.28847732       0.28847732       0.60100352 1.0 
      0.30908284       0.30908284       0.60821806 1.0 
      0.32968836       0.32968836       0.61543260 1.0 
      0.35029388       0.35029388       0.62264713 1.0 
      0.37089941       0.37089941       0.62986167 1.0 
      0.39150493       0.39150493       0.63707621 1.0 
      0.41211045       0.41211045       0.64429075 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51019332       0.48980668       0.00000000 1.0 
      0.52038664       0.47961336       0.00000000 1.0 
      0.53057996       0.46942004       0.00000000 1.0 
      0.54077328       0.45922672       0.00000000 1.0 
      0.55096660       0.44903340       0.00000000 1.0 
      0.56115992       0.43884008       0.00000000 1.0 
      0.57135324       0.42864676       0.00000000 1.0 
      0.58154656       0.41845344       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

