! Pwscf input file created with ciftopw.py 
! Compound: KTaO3
&control
         calculation     = 'bands'
         prefix          = 'KTaO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.5229991622089996
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        5
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
307
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01250000       0.00000000 1.0 
      0.00000000       0.02500000       0.00000000 1.0 
      0.00000000       0.03750000       0.00000000 1.0 
      0.00000000       0.05000000       0.00000000 1.0 
      0.00000000       0.06250000       0.00000000 1.0 
      0.00000000       0.07500000       0.00000000 1.0 
      0.00000000       0.08750000       0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.11250000       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.13750000       0.00000000 1.0 
      0.00000000       0.15000000       0.00000000 1.0 
      0.00000000       0.16250000       0.00000000 1.0 
      0.00000000       0.17500000       0.00000000 1.0 
      0.00000000       0.18750000       0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
      0.00000000       0.21250000       0.00000000 1.0 
      0.00000000       0.22500000       0.00000000 1.0 
      0.00000000       0.23750000       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.26250000       0.00000000 1.0 
      0.00000000       0.27500000       0.00000000 1.0 
      0.00000000       0.28750000       0.00000000 1.0 
      0.00000000       0.30000000       0.00000000 1.0 
      0.00000000       0.31250000       0.00000000 1.0 
      0.00000000       0.32500000       0.00000000 1.0 
      0.00000000       0.33750000       0.00000000 1.0 
      0.00000000       0.35000000       0.00000000 1.0 
      0.00000000       0.36250000       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.38750000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
      0.00000000       0.41250000       0.00000000 1.0 
      0.00000000       0.42500000       0.00000000 1.0 
      0.00000000       0.43750000       0.00000000 1.0 
      0.00000000       0.45000000       0.00000000 1.0 
      0.00000000       0.46250000       0.00000000 1.0 
      0.00000000       0.47500000       0.00000000 1.0 
      0.00000000       0.48750000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01250000       0.50000000       0.00000000 1.0 
      0.02500000       0.50000000       0.00000000 1.0 
      0.03750000       0.50000000       0.00000000 1.0 
      0.05000000       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.07500000       0.50000000       0.00000000 1.0 
      0.08750000       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.11250000       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.13750000       0.50000000       0.00000000 1.0 
      0.15000000       0.50000000       0.00000000 1.0 
      0.16250000       0.50000000       0.00000000 1.0 
      0.17500000       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.21250000       0.50000000       0.00000000 1.0 
      0.22500000       0.50000000       0.00000000 1.0 
      0.23750000       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.26250000       0.50000000       0.00000000 1.0 
      0.27500000       0.50000000       0.00000000 1.0 
      0.28750000       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.32500000       0.50000000       0.00000000 1.0 
      0.33750000       0.50000000       0.00000000 1.0 
      0.35000000       0.50000000       0.00000000 1.0 
      0.36250000       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.38750000       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.41250000       0.50000000       0.00000000 1.0 
      0.42500000       0.50000000       0.00000000 1.0 
      0.43750000       0.50000000       0.00000000 1.0 
      0.45000000       0.50000000       0.00000000 1.0 
      0.46250000       0.50000000       0.00000000 1.0 
      0.47500000       0.50000000       0.00000000 1.0 
      0.48750000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.49107143       0.49107143       0.00000000 1.0 
      0.48214286       0.48214286       0.00000000 1.0 
      0.47321429       0.47321429       0.00000000 1.0 
      0.46428571       0.46428571       0.00000000 1.0 
      0.45535714       0.45535714       0.00000000 1.0 
      0.44642857       0.44642857       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.42857143       0.42857143       0.00000000 1.0 
      0.41964286       0.41964286       0.00000000 1.0 
      0.41071429       0.41071429       0.00000000 1.0 
      0.40178571       0.40178571       0.00000000 1.0 
      0.39285714       0.39285714       0.00000000 1.0 
      0.38392857       0.38392857       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.36607143       0.36607143       0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.34821429       0.34821429       0.00000000 1.0 
      0.33928571       0.33928571       0.00000000 1.0 
      0.33035714       0.33035714       0.00000000 1.0 
      0.32142857       0.32142857       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.30357143       0.30357143       0.00000000 1.0 
      0.29464286       0.29464286       0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.27678571       0.27678571       0.00000000 1.0 
      0.26785714       0.26785714       0.00000000 1.0 
      0.25892857       0.25892857       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.24107143       0.24107143       0.00000000 1.0 
      0.23214286       0.23214286       0.00000000 1.0 
      0.22321429       0.22321429       0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.20535714       0.20535714       0.00000000 1.0 
      0.19642857       0.19642857       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.17857143       0.17857143       0.00000000 1.0 
      0.16964286       0.16964286       0.00000000 1.0 
      0.16071429       0.16071429       0.00000000 1.0 
      0.15178571       0.15178571       0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.13392857       0.13392857       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.11607143       0.11607143       0.00000000 1.0 
      0.10714286       0.10714286       0.00000000 1.0 
      0.09821429       0.09821429       0.00000000 1.0 
      0.08928571       0.08928571       0.00000000 1.0 
      0.08035714       0.08035714       0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.05357143       0.05357143       0.00000000 1.0 
      0.04464286       0.04464286       0.00000000 1.0 
      0.03571429       0.03571429       0.00000000 1.0 
      0.02678571       0.02678571       0.00000000 1.0 
      0.01785714       0.01785714       0.00000000 1.0 
      0.00892857       0.00892857       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00724638       0.00724638       0.00724638 1.0 
      0.01449275       0.01449275       0.01449275 1.0 
      0.02173913       0.02173913       0.02173913 1.0 
      0.02898551       0.02898551       0.02898551 1.0 
      0.03623188       0.03623188       0.03623188 1.0 
      0.04347826       0.04347826       0.04347826 1.0 
      0.05072464       0.05072464       0.05072464 1.0 
      0.05797101       0.05797101       0.05797101 1.0 
      0.06521739       0.06521739       0.06521739 1.0 
      0.07246377       0.07246377       0.07246377 1.0 
      0.07971014       0.07971014       0.07971014 1.0 
      0.08695652       0.08695652       0.08695652 1.0 
      0.09420290       0.09420290       0.09420290 1.0 
      0.10144928       0.10144928       0.10144928 1.0 
      0.10869565       0.10869565       0.10869565 1.0 
      0.11594203       0.11594203       0.11594203 1.0 
      0.12318841       0.12318841       0.12318841 1.0 
      0.13043478       0.13043478       0.13043478 1.0 
      0.13768116       0.13768116       0.13768116 1.0 
      0.14492754       0.14492754       0.14492754 1.0 
      0.15217391       0.15217391       0.15217391 1.0 
      0.15942029       0.15942029       0.15942029 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.17391304       0.17391304       0.17391304 1.0 
      0.18115942       0.18115942       0.18115942 1.0 
      0.18840580       0.18840580       0.18840580 1.0 
      0.19565217       0.19565217       0.19565217 1.0 
      0.20289855       0.20289855       0.20289855 1.0 
      0.21014493       0.21014493       0.21014493 1.0 
      0.21739130       0.21739130       0.21739130 1.0 
      0.22463768       0.22463768       0.22463768 1.0 
      0.23188406       0.23188406       0.23188406 1.0 
      0.23913043       0.23913043       0.23913043 1.0 
      0.24637681       0.24637681       0.24637681 1.0 
      0.25362319       0.25362319       0.25362319 1.0 
      0.26086957       0.26086957       0.26086957 1.0 
      0.26811594       0.26811594       0.26811594 1.0 
      0.27536232       0.27536232       0.27536232 1.0 
      0.28260870       0.28260870       0.28260870 1.0 
      0.28985507       0.28985507       0.28985507 1.0 
      0.29710145       0.29710145       0.29710145 1.0 
      0.30434783       0.30434783       0.30434783 1.0 
      0.31159420       0.31159420       0.31159420 1.0 
      0.31884058       0.31884058       0.31884058 1.0 
      0.32608696       0.32608696       0.32608696 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.34057971       0.34057971       0.34057971 1.0 
      0.34782609       0.34782609       0.34782609 1.0 
      0.35507246       0.35507246       0.35507246 1.0 
      0.36231884       0.36231884       0.36231884 1.0 
      0.36956522       0.36956522       0.36956522 1.0 
      0.37681159       0.37681159       0.37681159 1.0 
      0.38405797       0.38405797       0.38405797 1.0 
      0.39130435       0.39130435       0.39130435 1.0 
      0.39855072       0.39855072       0.39855072 1.0 
      0.40579710       0.40579710       0.40579710 1.0 
      0.41304348       0.41304348       0.41304348 1.0 
      0.42028986       0.42028986       0.42028986 1.0 
      0.42753623       0.42753623       0.42753623 1.0 
      0.43478261       0.43478261       0.43478261 1.0 
      0.44202899       0.44202899       0.44202899 1.0 
      0.44927536       0.44927536       0.44927536 1.0 
      0.45652174       0.45652174       0.45652174 1.0 
      0.46376812       0.46376812       0.46376812 1.0 
      0.47101449       0.47101449       0.47101449 1.0 
      0.47826087       0.47826087       0.47826087 1.0 
      0.48550725       0.48550725       0.48550725 1.0 
      0.49275362       0.49275362       0.49275362 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49107143       0.50000000       0.49107143 1.0 
      0.48214286       0.50000000       0.48214286 1.0 
      0.47321429       0.50000000       0.47321429 1.0 
      0.46428571       0.50000000       0.46428571 1.0 
      0.45535714       0.50000000       0.45535714 1.0 
      0.44642857       0.50000000       0.44642857 1.0 
      0.43750000       0.50000000       0.43750000 1.0 
      0.42857143       0.50000000       0.42857143 1.0 
      0.41964286       0.50000000       0.41964286 1.0 
      0.41071429       0.50000000       0.41071429 1.0 
      0.40178571       0.50000000       0.40178571 1.0 
      0.39285714       0.50000000       0.39285714 1.0 
      0.38392857       0.50000000       0.38392857 1.0 
      0.37500000       0.50000000       0.37500000 1.0 
      0.36607143       0.50000000       0.36607143 1.0 
      0.35714286       0.50000000       0.35714286 1.0 
      0.34821429       0.50000000       0.34821429 1.0 
      0.33928571       0.50000000       0.33928571 1.0 
      0.33035714       0.50000000       0.33035714 1.0 
      0.32142857       0.50000000       0.32142857 1.0 
      0.31250000       0.50000000       0.31250000 1.0 
      0.30357143       0.50000000       0.30357143 1.0 
      0.29464286       0.50000000       0.29464286 1.0 
      0.28571429       0.50000000       0.28571429 1.0 
      0.27678571       0.50000000       0.27678571 1.0 
      0.26785714       0.50000000       0.26785714 1.0 
      0.25892857       0.50000000       0.25892857 1.0 
      0.25000000       0.50000000       0.25000000 1.0 
      0.24107143       0.50000000       0.24107143 1.0 
      0.23214286       0.50000000       0.23214286 1.0 
      0.22321429       0.50000000       0.22321429 1.0 
      0.21428571       0.50000000       0.21428571 1.0 
      0.20535714       0.50000000       0.20535714 1.0 
      0.19642857       0.50000000       0.19642857 1.0 
      0.18750000       0.50000000       0.18750000 1.0 
      0.17857143       0.50000000       0.17857143 1.0 
      0.16964286       0.50000000       0.16964286 1.0 
      0.16071429       0.50000000       0.16071429 1.0 
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      0.14285714       0.50000000       0.14285714 1.0 
      0.13392857       0.50000000       0.13392857 1.0 
      0.12500000       0.50000000       0.12500000 1.0 
      0.11607143       0.50000000       0.11607143 1.0 
      0.10714286       0.50000000       0.10714286 1.0 
      0.09821429       0.50000000       0.09821429 1.0 
      0.08928571       0.50000000       0.08928571 1.0 
      0.08035714       0.50000000       0.08035714 1.0 
      0.07142857       0.50000000       0.07142857 1.0 
      0.06250000       0.50000000       0.06250000 1.0 
      0.05357143       0.50000000       0.05357143 1.0 
      0.04464286       0.50000000       0.04464286 1.0 
      0.03571429       0.50000000       0.03571429 1.0 
      0.02678571       0.50000000       0.02678571 1.0 
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      0.00892857       0.50000000       0.00892857 1.0 
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      0.50000000       0.50000000       0.10000000 1.0 
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      0.50000000       0.50000000       0.12500000 1.0 
      0.50000000       0.50000000       0.13750000 1.0 
      0.50000000       0.50000000       0.15000000 1.0 
      0.50000000       0.50000000       0.16250000 1.0 
      0.50000000       0.50000000       0.17500000 1.0 
      0.50000000       0.50000000       0.18750000 1.0 
      0.50000000       0.50000000       0.20000000 1.0 
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      0.50000000       0.50000000       0.22500000 1.0 
      0.50000000       0.50000000       0.23750000 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.26250000 1.0 
      0.50000000       0.50000000       0.27500000 1.0 
      0.50000000       0.50000000       0.28750000 1.0 
      0.50000000       0.50000000       0.30000000 1.0 
      0.50000000       0.50000000       0.31250000 1.0 
      0.50000000       0.50000000       0.32500000 1.0 
      0.50000000       0.50000000       0.33750000 1.0 
      0.50000000       0.50000000       0.35000000 1.0 
      0.50000000       0.50000000       0.36250000 1.0 
      0.50000000       0.50000000       0.37500000 1.0 
      0.50000000       0.50000000       0.38750000 1.0 
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      0.50000000       0.50000000       0.41250000 1.0 
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      0.50000000       0.50000000       0.43750000 1.0 
      0.50000000       0.50000000       0.45000000 1.0 
      0.50000000       0.50000000       0.46250000 1.0 
      0.50000000       0.50000000       0.47500000 1.0 
      0.50000000       0.50000000       0.48750000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

