! Pwscf input file created with ciftopw.py 
! Compound: Tl2Pd3Se2
&control
         calculation     = 'bands'
         prefix          = 'Tl2Pd3Se2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.2416230711286307
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5289541343746955
         celldm(5)       =            0.5289541343746955
         celldm(6)       =            0.5289541343746954
         nat             =        7
         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
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-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
246
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.00000000       0.00000000 1.0 
      0.02941176       0.00000000       0.00000000 1.0 
      0.04411765       0.00000000       0.00000000 1.0 
      0.05882353       0.00000000       0.00000000 1.0 
      0.07352941       0.00000000       0.00000000 1.0 
      0.08823529       0.00000000       0.00000000 1.0 
      0.10294118       0.00000000       0.00000000 1.0 
      0.11764706       0.00000000       0.00000000 1.0 
      0.13235294       0.00000000       0.00000000 1.0 
      0.14705882       0.00000000       0.00000000 1.0 
      0.16176471       0.00000000       0.00000000 1.0 
      0.17647059       0.00000000       0.00000000 1.0 
      0.19117647       0.00000000       0.00000000 1.0 
      0.20588235       0.00000000       0.00000000 1.0 
      0.22058824       0.00000000       0.00000000 1.0 
      0.23529412       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
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      0.29411765       0.00000000       0.00000000 1.0 
      0.30882353       0.00000000       0.00000000 1.0 
      0.32352941       0.00000000       0.00000000 1.0 
      0.33823529       0.00000000       0.00000000 1.0 
      0.35294118       0.00000000       0.00000000 1.0 
      0.36764706       0.00000000       0.00000000 1.0 
      0.38235294       0.00000000       0.00000000 1.0 
      0.39705882       0.00000000       0.00000000 1.0 
      0.41176471       0.00000000       0.00000000 1.0 
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      0.50000000       0.10798451      -0.10798451 1.0 
      0.50000000       0.11698322      -0.11698322 1.0 
      0.50000000       0.12598193      -0.12598193 1.0 
      0.50000000       0.13498064      -0.13498064 1.0 
      0.50000000       0.14397935      -0.14397935 1.0 
      0.50000000       0.15297806      -0.15297806 1.0 
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      0.50000000       0.17997419      -0.17997419 1.0 
      0.50000000       0.18897290      -0.18897290 1.0 
      0.50000000       0.19797161      -0.19797161 1.0 
      0.50000000       0.20697032      -0.20697032 1.0 
      0.50000000       0.21596903      -0.21596903 1.0 
      0.50000000       0.22496774      -0.22496774 1.0 
      0.50000000       0.23396644      -0.23396644 1.0 
      0.50000000       0.24296515      -0.24296515 1.0 
      0.75703485       0.50000000       0.24296515 1.0 
      0.74785503       0.50000000       0.25214497 1.0 
      0.73867521       0.50000000       0.26132479 1.0 
      0.72949540       0.50000000       0.27050460 1.0 
      0.72031558       0.50000000       0.27968442 1.0 
      0.71113577       0.50000000       0.28886423 1.0 
      0.70195595       0.50000000       0.29804405 1.0 
      0.69277613       0.50000000       0.30722387 1.0 
      0.68359632       0.50000000       0.31640368 1.0 
      0.67441650       0.50000000       0.32558350 1.0 
      0.66523669       0.50000000       0.33476331 1.0 
      0.65605687       0.50000000       0.34394313 1.0 
      0.64687705       0.50000000       0.35312295 1.0 
      0.63769724       0.50000000       0.36230276 1.0 
      0.62851742       0.50000000       0.37148258 1.0 
      0.61933761       0.50000000       0.38066239 1.0 
      0.61015779       0.50000000       0.38984221 1.0 
      0.60097798       0.50000000       0.39902202 1.0 
      0.59179816       0.50000000       0.40820184 1.0 
      0.58261834       0.50000000       0.41738166 1.0 
      0.57343853       0.50000000       0.42656147 1.0 
      0.56425871       0.50000000       0.43574129 1.0 
      0.55507890       0.50000000       0.44492110 1.0 
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      0.52753945       0.50000000       0.47246055 1.0 
      0.51835963       0.50000000       0.48164037 1.0 
      0.50917982       0.50000000       0.49082018 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48437500       0.48437500       0.48437500 1.0 
      0.46875000       0.46875000       0.46875000 1.0 
      0.45312500       0.45312500       0.45312500 1.0 
      0.43750000       0.43750000       0.43750000 1.0 
      0.42187500       0.42187500       0.42187500 1.0 
      0.40625000       0.40625000       0.40625000 1.0 
      0.39062500       0.39062500       0.39062500 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.35937500       0.35937500       0.35937500 1.0 
      0.34375000       0.34375000       0.34375000 1.0 
      0.32812500       0.32812500       0.32812500 1.0 
      0.31250000       0.31250000       0.31250000 1.0 
      0.29687500       0.29687500       0.29687500 1.0 
      0.28125000       0.28125000       0.28125000 1.0 
      0.26562500       0.26562500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23437500       0.23437500       0.23437500 1.0 
      0.21875000       0.21875000       0.21875000 1.0 
      0.20312500       0.20312500       0.20312500 1.0 
      0.18750000       0.18750000       0.18750000 1.0 
      0.17187500       0.17187500       0.17187500 1.0 
      0.15625000       0.15625000       0.15625000 1.0 
      0.14062500       0.14062500       0.14062500 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.10937500       0.10937500       0.10937500 1.0 
      0.09375000       0.09375000       0.09375000 1.0 
      0.07812500       0.07812500       0.07812500 1.0 
      0.06250000       0.06250000       0.06250000 1.0 
      0.04687500       0.04687500       0.04687500 1.0 
      0.03125000       0.03125000       0.03125000 1.0 
      0.01562500       0.01562500       0.01562500 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00906055       0.00000000      -0.00906055 1.0 
      0.01812110       0.00000000      -0.01812110 1.0 
      0.02718165      -0.00000000      -0.02718165 1.0 
      0.03624220       0.00000000      -0.03624220 1.0 
      0.04530275       0.00000000      -0.04530275 1.0 
      0.05436330      -0.00000000      -0.05436330 1.0 
      0.06342385       0.00000000      -0.06342385 1.0 
      0.07248441       0.00000000      -0.07248441 1.0 
      0.08154496       0.00000000      -0.08154496 1.0 
      0.09060551       0.00000000      -0.09060551 1.0 
      0.09966606       0.00000000      -0.09966606 1.0 
      0.10872661      -0.00000000      -0.10872661 1.0 
      0.11778716      -0.00000000      -0.11778716 1.0 
      0.12684771       0.00000000      -0.12684771 1.0 
      0.13590826      -0.00000000      -0.13590826 1.0 
      0.14496881       0.00000000      -0.14496881 1.0 
      0.15402936       0.00000000      -0.15402936 1.0 
      0.16308991       0.00000000      -0.16308991 1.0 
      0.17215046       0.00000000      -0.17215046 1.0 
      0.18121101       0.00000000      -0.18121101 1.0 
      0.19027156       0.00000000      -0.19027156 1.0 
      0.19933211       0.00000000      -0.19933211 1.0 
      0.20839267       0.00000000      -0.20839267 1.0 
      0.21745322      -0.00000000      -0.21745322 1.0 
      0.22651377      -0.00000000      -0.22651377 1.0 
      0.23557432      -0.00000000      -0.23557432 1.0 
      0.24463487      -0.00000000      -0.24463487 1.0 
      0.25369542       0.00000000      -0.25369542 1.0 
      0.26275597       0.00000000      -0.26275597 1.0 
      0.27181652      -0.00000000      -0.27181652 1.0 
      0.28087707       0.00000000      -0.28087707 1.0 
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      0.31711927       0.00000000      -0.31711927 1.0 
      0.32617982       0.00000000      -0.32617982 1.0 
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      0.34430093       0.00000000      -0.34430093 1.0 
      0.35336148       0.00000000      -0.35336148 1.0 
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      0.62851742       0.37148258       0.00000000 1.0 
      0.61933761       0.38066239       0.00000000 1.0 
      0.61015779       0.38984221       0.00000000 1.0 
      0.60097798       0.39902202       0.00000000 1.0 
      0.59179816       0.40820184       0.00000000 1.0 
      0.58261834       0.41738166       0.00000000 1.0 
      0.57343853       0.42656147       0.00000000 1.0 
      0.56425871       0.43574129       0.00000000 1.0 
      0.55507890       0.44492110       0.00000000 1.0 
      0.54589908       0.45410092       0.00000000 1.0 
      0.53671926       0.46328074       0.00000000 1.0 
      0.52753945       0.47246055       0.00000000 1.0 
      0.51835963       0.48164037       0.00000000 1.0 
      0.50917982       0.49082018       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50988596       0.50988596       0.01868963 1.0 
      0.51977191       0.51977191       0.03737925 1.0 
      0.52965787       0.52965787       0.05606888 1.0 
      0.53954382       0.53954382       0.07475851 1.0 
      0.54942978       0.54942978       0.09344814 1.0 
      0.55931573       0.55931573       0.11213776 1.0 
      0.56920169       0.56920169       0.13082739 1.0 
      0.57908764       0.57908764       0.14951702 1.0 
      0.58897360       0.58897360       0.16820665 1.0 
      0.59885956       0.59885956       0.18689627 1.0 
      0.60874551       0.60874551       0.20558590 1.0 
      0.61863147       0.61863147       0.22427553 1.0 
      0.62851742       0.62851742       0.24296515 1.0 
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      0.62337673       0.62337673       0.25324655 1.0 
      0.61823603       0.61823603       0.26352794 1.0 
      0.61309533       0.61309533       0.27380934 1.0 
      0.60795464       0.60795464       0.28409073 1.0 
      0.60281394       0.60281394       0.29437212 1.0 
      0.59767324       0.59767324       0.30465352 1.0 
      0.59253254       0.59253254       0.31493491 1.0 
      0.58739185       0.58739185       0.32521630 1.0 
      0.58225115       0.58225115       0.33549770 1.0 
      0.57711045       0.57711045       0.34577909 1.0 
      0.57196976       0.57196976       0.35606049 1.0 
      0.56682906       0.56682906       0.36634188 1.0 
      0.56168836       0.56168836       0.37662327 1.0 
      0.55654767       0.55654767       0.38690467 1.0 
      0.55140697       0.55140697       0.39718606 1.0 
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      0.53084418       0.53084418       0.43831164 1.0 
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      0.51542209       0.51542209       0.46915582 1.0 
      0.51028139       0.51028139       0.47943721 1.0 
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      0.56705257       0.09690850       0.09690850 1.0 
      0.57822800       0.11305991       0.11305991 1.0 
      0.58940342       0.12921133       0.12921133 1.0 
      0.60057885       0.14536275       0.14536275 1.0 
      0.61175428       0.16151416       0.16151416 1.0 
      0.62292971       0.17766558       0.17766558 1.0 
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      0.64528056       0.20996841       0.20996841 1.0 
      0.65645599       0.22611983       0.22611983 1.0 
      0.66763142       0.24227125       0.24227125 1.0 
      0.67880685       0.25842266       0.25842266 1.0 
      0.68998228       0.27457408       0.27457408 1.0 
      0.70115771       0.29072550       0.29072550 1.0 
      0.71233313       0.30687691       0.30687691 1.0 
      0.72350856       0.32302833       0.32302833 1.0 
      0.73468399       0.33917974       0.33917974 1.0 
      0.74585942       0.35533116       0.35533116 1.0 
      0.75703485       0.37148258       0.37148258 1.0 

