! Pwscf input file created with ciftopw.py 
! Compound: Tl2Au4S3
&control
         calculation     = 'bands'
         prefix          = 'Tl2Au4S3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.8590354364320003
         celldm(2)       =            1.6013225255972694
         celldm(3)       =            2.5422354948805461
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       18
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      424.00000000
         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 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
288
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      0.01470588       0.00000000       0.00000000 1.0 
      0.02941176       0.00000000       0.00000000 1.0 
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      0.00000000       0.19047619       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
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      0.00000000       0.11904762       0.00000000 1.0 
      0.00000000       0.09523810       0.00000000 1.0 
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      0.00000000       0.02380952       0.00000000 1.0 
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      0.00000000      -0.00000000       0.03571429 1.0 
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      0.00000000      -0.00000000       0.14285714 1.0 
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      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000      -0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.39285714 1.0 
      0.00000000      -0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01470588      -0.00000000       0.50000000 1.0 
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      0.13235294      -0.00000000       0.50000000 1.0 
      0.14705882      -0.00000000       0.50000000 1.0 
      0.16176471      -0.00000000       0.50000000 1.0 
      0.17647059      -0.00000000       0.50000000 1.0 
      0.19117647      -0.00000000       0.50000000 1.0 
      0.20588235      -0.00000000       0.50000000 1.0 
      0.22058824      -0.00000000       0.50000000 1.0 
      0.23529412       0.00000000       0.50000000 1.0 
      0.25000000      -0.00000000       0.50000000 1.0 
      0.26470588      -0.00000000       0.50000000 1.0 
      0.27941176       0.00000000       0.50000000 1.0 
      0.29411765      -0.00000000       0.50000000 1.0 
      0.30882353      -0.00000000       0.50000000 1.0 
      0.32352941      -0.00000000       0.50000000 1.0 
      0.33823529      -0.00000000       0.50000000 1.0 
      0.35294118      -0.00000000       0.50000000 1.0 
      0.36764706      -0.00000000       0.50000000 1.0 
      0.38235294      -0.00000000       0.50000000 1.0 
      0.39705882      -0.00000000       0.50000000 1.0 
      0.41176471      -0.00000000       0.50000000 1.0 
      0.42647059      -0.00000000       0.50000000 1.0 
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      0.45588235      -0.00000000       0.50000000 1.0 
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      0.50000000      -0.00000000       0.50000000 1.0 
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      0.50000000       0.07142857       0.50000000 1.0 
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      0.38235294       0.50000000       0.50000000 1.0 
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