! Pwscf input file created with ciftopw.py 
! Compound: ZrTl2PbS4
&control
         calculation     = 'bands'
         prefix          = 'ZrTl2PbS4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.5371761400006214
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7714803882795929
         celldm(4)       =            0.2888419667306808
         celldm(5)       =            0.2888419667306808
         celldm(6)       =            0.5594914230510687
         nat             =       16
         ntyp            =        4
         ecutwfc         =       50.00000000
         ecutrho         =      212.00000000
         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 
Pb 207.2000 Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
208
      0.00000000       0.00000000       0.00000000 1.0 
      0.02272727       0.02272727       0.00000000 1.0 
      0.04545455       0.04545455       0.00000000 1.0 
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      0.15909091       0.15909091       0.00000000 1.0 
      0.18181818       0.18181818       0.00000000 1.0 
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      0.25000000       0.25000000       0.00000000 1.0 
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      0.40909091       0.40909091       0.00000000 1.0 
      0.43181818       0.43181818       0.00000000 1.0 
      0.45454545       0.45454545       0.00000000 1.0 
      0.47727273       0.47727273       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50788007       0.50788007       0.02104723 1.0 
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      0.52364022       0.52364022       0.06314168 1.0 
      0.53152029       0.53152029       0.08418891 1.0 
      0.53940037       0.53940037       0.10523613 1.0 
      0.54728044       0.54728044       0.12628336 1.0 
      0.55516052       0.55516052       0.14733058 1.0 
      0.56304059       0.56304059       0.16837781 1.0 
      0.57092066       0.57092066       0.18942504 1.0 
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      0.63396125       0.63396125       0.35780285 1.0 
      0.64184132       0.64184132       0.37885007 1.0 
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      0.64972140       0.64972140       0.39989730 1.0 
      0.63474926       0.63474926       0.40990757 1.0 
      0.61977712       0.61977712       0.41991784 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.65342363       0.34657637       0.50000000 1.0 
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      0.24416317      -0.24416317       0.50000000 1.0 
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      0.12850693      -0.12850693       0.50000000 1.0 
      0.11565624      -0.11565624       0.50000000 1.0 
      0.10280555      -0.10280555       0.50000000 1.0 
      0.08995485      -0.08995485       0.50000000 1.0 
      0.07710416      -0.07710416       0.50000000 1.0 
      0.06425347      -0.06425347       0.50000000 1.0 
      0.05140277      -0.05140277       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.02335191       0.02335191       0.50667351 1.0 
      0.04670381       0.04670381       0.51334703 1.0 
      0.07005572       0.07005572       0.52002054 1.0 
      0.09340763       0.09340763       0.52669405 1.0 
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      0.14011144       0.14011144       0.54004108 1.0 
      0.16346335       0.16346335       0.54671459 1.0 
      0.18681525       0.18681525       0.55338811 1.0 
      0.21016716       0.21016716       0.56006162 1.0 
      0.23351907       0.23351907       0.56673513 1.0 
      0.25687097       0.25687097       0.57340865 1.0 
      0.28022288       0.28022288       0.58008216 1.0 
      0.30357479       0.30357479       0.58675567 1.0 
      0.32692670       0.32692670       0.59342919 1.0 
      0.35027860       0.35027860       0.60010270 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51220868       0.48779132       0.00000000 1.0 
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      0.54883474       0.45116526       0.00000000 1.0 
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      0.58546079       0.41453921       0.00000000 1.0 
      0.59766947       0.40233053       0.00000000 1.0 
      0.60987816       0.39012184       0.00000000 1.0 
      0.62208684       0.37791316       0.00000000 1.0 
      0.63429553       0.36570447       0.00000000 1.0 
      0.64650421       0.35349579       0.00000000 1.0 
      0.65871289       0.34128711       0.00000000 1.0 
      0.67092158       0.32907842       0.00000000 1.0 
      0.32907842      -0.32907842       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

