! Pwscf input file created with ciftopw.py 
! Compound: Ta2PdS6
&control
         calculation     = 'bands'
         prefix          = 'Ta2PdS6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.5582411442424142
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.6302184390490175
         celldm(4)       =            0.4175549961918626
         celldm(5)       =            0.4175549961918626
         celldm(6)       =            0.8569095122992146
         nat             =        9
         ntyp            =        3
         ecutwfc         =       59.00000000
         ecutrho         =      545.00000000
         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 
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Pd 106.4200 Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
382
      0.00000000       0.00000000       0.00000000 1.0 
      0.01666667       0.01666667      -0.00000000 1.0 
      0.03333333       0.03333333      -0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.06666667       0.06666667      -0.00000000 1.0 
      0.08333333       0.08333333       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.11666667       0.11666667       0.00000000 1.0 
      0.13333333       0.13333333      -0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.18333333       0.18333333       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.21666667       0.21666667       0.00000000 1.0 
      0.23333333       0.23333333       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26666667       0.26666667      -0.00000000 1.0 
      0.28333333       0.28333333       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31666667       0.31666667       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.36666667       0.36666667       0.00000000 1.0 
      0.38333333       0.38333333       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.41666667       0.41666667       0.00000000 1.0 
      0.43333333       0.43333333       0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.46666667       0.46666667       0.00000000 1.0 
      0.48333333       0.48333333       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50701242       0.50701242       0.02737790 1.0 
      0.51402484       0.51402484       0.05475579 1.0 
      0.52103726       0.52103726       0.08213369 1.0 
      0.52804968       0.52804968       0.10951158 1.0 
      0.53506210       0.53506210       0.13688948 1.0 
      0.54207452       0.54207452       0.16426737 1.0 
      0.54207452       0.54207452       0.16426737 1.0 
      0.53906920       0.53906920       0.18824828 1.0 
      0.53606388       0.53606388       0.21222918 1.0 
      0.53305855       0.53305855       0.23621008 1.0 
      0.53005323       0.53005323       0.26019098 1.0 
      0.52704791       0.52704791       0.28417188 1.0 
      0.52404258       0.52404258       0.30815279 1.0 
      0.52103726       0.52103726       0.33213369 1.0 
      0.51803194       0.51803194       0.35611459 1.0 
      0.51502662       0.51502662       0.38009549 1.0 
      0.51202129       0.51202129       0.40407639 1.0 
      0.50901597       0.50901597       0.42805729 1.0 
      0.50601065       0.50601065       0.45203820 1.0 
      0.50300532       0.50300532       0.47601910 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.50518330       0.49481670       0.50000000 1.0 
      0.51036659       0.48963341       0.50000000 1.0 
      0.51554989       0.48445011       0.50000000 1.0 
      0.52073319       0.47926681       0.50000000 1.0 
      0.52591649       0.47408351       0.50000000 1.0 
      0.53109978       0.46890022       0.50000000 1.0 
      0.53628308       0.46371692       0.50000000 1.0 
      0.54146638       0.45853362       0.50000000 1.0 
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      0.55183297       0.44816703       0.50000000 1.0 
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      0.57256616       0.42743384       0.50000000 1.0 
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      0.58811605       0.41188395       0.50000000 1.0 
      0.59329935       0.40670065       0.50000000 1.0 
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      0.62439913       0.37560087       0.50000000 1.0 
      0.62958243       0.37041757       0.50000000 1.0 
      0.63476572       0.36523428       0.50000000 1.0 
      0.63994902       0.36005098       0.50000000 1.0 
      0.64513232       0.35486768       0.50000000 1.0 
      0.65031561       0.34968439       0.50000000 1.0 
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      0.67104880       0.32895120       0.50000000 1.0 
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      0.68659869       0.31340131       0.50000000 1.0 
      0.69178199       0.30821801       0.50000000 1.0 
      0.69696529       0.30303471       0.50000000 1.0 
      0.70214858       0.29785142       0.50000000 1.0 
      0.70733188       0.29266812       0.50000000 1.0 
      0.71251518       0.28748482       0.50000000 1.0 
      0.71769848       0.28230152       0.50000000 1.0 
      0.72288177       0.27711823       0.50000000 1.0 
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      0.73324837       0.26675163       0.50000000 1.0 
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      0.26156834      -0.26156834       0.50000000 1.0 
      0.25643955      -0.25643955       0.50000000 1.0 
      0.25131075      -0.25131075       0.50000000 1.0 
      0.24618196      -0.24618196       0.50000000 1.0 
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      0.22566680      -0.22566680       0.50000000 1.0 
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      0.20002285      -0.20002285       0.50000000 1.0 
      0.19489405      -0.19489405       0.50000000 1.0 
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      0.14360615      -0.14360615       0.50000000 1.0 
      0.13847735      -0.13847735       0.50000000 1.0 
      0.13334856      -0.13334856       0.50000000 1.0 
      0.12821977      -0.12821977       0.50000000 1.0 
      0.12309098      -0.12309098       0.50000000 1.0 
      0.11796219      -0.11796219       0.50000000 1.0 
      0.11283340      -0.11283340       0.50000000 1.0 
      0.10770461      -0.10770461       0.50000000 1.0 
      0.10257582      -0.10257582       0.50000000 1.0 
      0.09744703      -0.09744703       0.50000000 1.0 
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      0.08718945      -0.08718945       0.50000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.27884615       0.00000000       0.27884615 1.0 
      0.26923077       0.00000000       0.26923077 1.0 
      0.25961538       0.00000000       0.25961538 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.24038462       0.00000000       0.24038462 1.0 
      0.23076923       0.00000000       0.23076923 1.0 
      0.22115385       0.00000000       0.22115385 1.0 
      0.21153846       0.00000000       0.21153846 1.0 
      0.20192308       0.00000000       0.20192308 1.0 
      0.19230769       0.00000000       0.19230769 1.0 
      0.18269231       0.00000000       0.18269231 1.0 
      0.17307692       0.00000000       0.17307692 1.0 
      0.16346154       0.00000000       0.16346154 1.0 
      0.15384615       0.00000000       0.15384615 1.0 
      0.14423077       0.00000000       0.14423077 1.0 
      0.13461538       0.00000000       0.13461538 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11538462       0.00000000       0.11538462 1.0 
      0.10576923      -0.00000000       0.10576923 1.0 
      0.09615385       0.00000000       0.09615385 1.0 
      0.08653846       0.00000000       0.08653846 1.0 
      0.07692308       0.00000000       0.07692308 1.0 
      0.06730769       0.00000000       0.06730769 1.0 
      0.05769231       0.00000000       0.05769231 1.0 
      0.04807692      -0.00000000       0.04807692 1.0 
      0.03846154      -0.00000000       0.03846154 1.0 
      0.02884615       0.00000000       0.02884615 1.0 
      0.01923077      -0.00000000       0.01923077 1.0 
      0.00961538      -0.00000000       0.00961538 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

