! Pwscf input file created with ciftopw.py 
! Compound: Tl2Hg3S4
&control
         calculation     = 'bands'
         prefix          = 'Tl2Hg3S4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5676045785958443
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.9452700764734325
         celldm(4)       =            0.3648990634291180
         celldm(5)       =            0.3648990634291180
         celldm(6)       =            0.4932395146895282
         nat             =       18
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      416.00000000
         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 
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
236
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.01612903       0.00000000 1.0 
      0.03225806       0.03225806       0.00000000 1.0 
      0.04838710       0.04838710       0.00000000 1.0 
      0.06451613       0.06451613       0.00000000 1.0 
      0.08064516       0.08064516       0.00000000 1.0 
      0.09677419       0.09677419       0.00000000 1.0 
      0.11290323       0.11290323       0.00000000 1.0 
      0.12903226       0.12903226       0.00000000 1.0 
      0.14516129       0.14516129       0.00000000 1.0 
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      0.17741935       0.17741935       0.00000000 1.0 
      0.19354839       0.19354839       0.00000000 1.0 
      0.20967742       0.20967742       0.00000000 1.0 
      0.22580645       0.22580645       0.00000000 1.0 
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      0.30645161       0.30645161       0.00000000 1.0 
      0.32258065       0.32258065       0.00000000 1.0 
      0.33870968       0.33870968       0.00000000 1.0 
      0.35483871       0.35483871       0.00000000 1.0 
      0.37096774       0.37096774       0.00000000 1.0 
      0.38709677       0.38709677       0.00000000 1.0 
      0.40322581       0.40322581       0.00000000 1.0 
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      0.43548387       0.43548387       0.00000000 1.0 
      0.45161290       0.45161290       0.00000000 1.0 
      0.46774194       0.46774194       0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50519240       0.50519240       0.06614213 1.0 
      0.50475970       0.50475970       0.10229695 1.0 
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      0.50346160       0.50346160       0.21076142 1.0 
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      0.50259620       0.50259620       0.28307106 1.0 
      0.50216350       0.50216350       0.31922589 1.0 
      0.50173080       0.50173080       0.35538071 1.0 
      0.50129810       0.50129810       0.39153553 1.0 
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      0.50043270       0.50043270       0.46384518 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.08387165      -0.08387165       0.50000000 1.0 
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      0.03531249       0.03531249       0.53357234 1.0 
      0.05296874       0.05296874       0.55035850 1.0 
      0.07062499       0.07062499       0.56714467 1.0 
      0.08828123       0.08828123       0.58393084 1.0 
      0.10593748       0.10593748       0.60071701 1.0 
      0.12359372       0.12359372       0.61750317 1.0 
      0.14124997       0.14124997       0.63428934 1.0 
      0.15890622       0.15890622       0.65107551 1.0 
      0.17656246       0.17656246       0.66786168 1.0 
      0.19421871       0.19421871       0.68464784 1.0 
      0.21187496       0.21187496       0.70143401 1.0 
      0.22953120       0.22953120       0.71822018 1.0 
      0.24718745       0.24718745       0.73500635 1.0 
      0.26484370       0.26484370       0.75179252 1.0 
      0.28249994       0.28249994       0.76857868 1.0 
      0.30015619       0.30015619       0.78536485 1.0 
      0.31781244       0.31781244       0.80215102 1.0 
      0.33546868       0.33546868       0.81893719 1.0 
      0.35312493       0.35312493       0.83572335 1.0 
      0.37078117       0.37078117       0.85250952 1.0 
      0.38843742       0.38843742       0.86929569 1.0 
      0.40609367       0.40609367       0.88608186 1.0 
      0.42374991       0.42374991       0.90286803 1.0 
      0.44140616       0.44140616       0.91965419 1.0 
      0.45906241       0.45906241       0.93644036 1.0 
      0.47671865       0.47671865       0.95322653 1.0 
      0.49437490       0.49437490       0.97001270 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.54192650       0.45807350       0.00000000 1.0 
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      0.56288975       0.43711025       0.00000000 1.0 
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      0.59433463       0.40566537       0.00000000 1.0 
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