! Pwscf input file created with ciftopw.py 
! Compound: YTlS2
&control
         calculation     = 'bands'
         prefix          = 'YTlS2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.8244918809037092
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.8673916799686280
         celldm(5)       =            0.8673916799686280
         celldm(6)       =            0.8673916799686280
         nat             =        4
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      258.00000000
         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 
 Y  88.9059 Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
300
      0.00000000       0.00000000       0.00000000 1.0 
      0.01086957       0.00000000       0.00000000 1.0 
      0.02173913       0.00000000       0.00000000 1.0 
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      0.05434783       0.00000000       0.00000000 1.0 
      0.06521739       0.00000000       0.00000000 1.0 
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      0.08695652       0.00000000       0.00000000 1.0 
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      0.59515105       0.50000000       0.40484895 1.0 
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      0.56977744       0.50000000       0.43022256 1.0 
      0.56343403       0.50000000       0.43656597 1.0 
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      0.52537361       0.50000000       0.47462639 1.0 
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      0.50634340       0.50000000       0.49365660 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47619048       0.47619048       0.47619048 1.0 
      0.45238095       0.45238095       0.45238095 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.40476190       0.40476190       0.40476190 1.0 
      0.38095238       0.38095238       0.38095238 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.30952381       0.30952381       0.30952381 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.26190476       0.26190476       0.26190476 1.0 
      0.23809524       0.23809524       0.23809524 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.19047619       0.19047619       0.19047619 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.11904762       0.11904762       0.11904762 1.0 
      0.09523810       0.09523810       0.09523810 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.04761905       0.04761905       0.04761905 1.0 
      0.02380952       0.02380952       0.02380952 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.79602548       0.31865392       0.31865392 1.0 
      0.81717016       0.34141492       0.34141492 1.0 

