! Pwscf input file created with pymatgen.py 
! Compound: K3TaO8
&control
         calculation     = 'bands'
         prefix          = 'K3TaO8'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.7489524664746110
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.4036394163170958
         celldm(5)       =           -0.4036394163170958
         celldm(6)       =           -0.1927211673658082
         nat             =       12
         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-08 
         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
276
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01515152 1.0 
      0.00000000      -0.00000000       0.03030303 1.0 
      0.00000000      -0.00000000       0.04545455 1.0 
      0.00000000      -0.00000000       0.06060606 1.0 
      0.00000000      -0.00000000       0.07575758 1.0 
      0.00000000      -0.00000000       0.09090909 1.0 
      0.00000000      -0.00000000       0.10606061 1.0 
      0.00000000      -0.00000000       0.12121212 1.0 
      0.00000000      -0.00000000       0.13636364 1.0 
      0.00000000      -0.00000000       0.15151515 1.0 
      0.00000000      -0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.18181818 1.0 
      0.00000000      -0.00000000       0.19696970 1.0 
      0.00000000      -0.00000000       0.21212121 1.0 
      0.00000000      -0.00000000       0.22727273 1.0 
      0.00000000      -0.00000000       0.24242424 1.0 
      0.00000000       0.00000000       0.25757576 1.0 
      0.00000000      -0.00000000       0.27272727 1.0 
      0.00000000      -0.00000000       0.28787879 1.0 
      0.00000000      -0.00000000       0.30303030 1.0 
      0.00000000      -0.00000000       0.31818182 1.0 
      0.00000000      -0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.34848485 1.0 
      0.00000000      -0.00000000       0.36363636 1.0 
      0.00000000      -0.00000000       0.37878788 1.0 
      0.00000000      -0.00000000       0.39393939 1.0 
      0.00000000      -0.00000000       0.40909091 1.0 
      0.00000000      -0.00000000       0.42424242 1.0 
      0.00000000      -0.00000000       0.43939394 1.0 
      0.00000000      -0.00000000       0.45454545 1.0 
      0.00000000      -0.00000000       0.46969697 1.0 
      0.00000000      -0.00000000       0.48484848 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01477459       0.01477459       0.50000000 1.0 
     -0.02954917       0.02954917       0.50000000 1.0 
     -0.04432376       0.04432376       0.50000000 1.0 
     -0.05909835       0.05909835       0.50000000 1.0 
     -0.07387294       0.07387294       0.50000000 1.0 
     -0.08864752       0.08864752       0.50000000 1.0 
     -0.10342211       0.10342211       0.50000000 1.0 
     -0.11819670       0.11819670       0.50000000 1.0 
     -0.13297129       0.13297129       0.50000000 1.0 
     -0.14774587       0.14774587       0.50000000 1.0 
     -0.16252046       0.16252046       0.50000000 1.0 
     -0.17729505       0.17729505       0.50000000 1.0 
     -0.19206964       0.19206964       0.50000000 1.0 
     -0.20684422       0.20684422       0.50000000 1.0 
     -0.22161881       0.22161881       0.50000000 1.0 
     -0.23639340       0.23639340       0.50000000 1.0 
     -0.25116799       0.25116799       0.50000000 1.0 
     -0.26594257       0.26594257       0.50000000 1.0 
     -0.28071716       0.28071716       0.50000000 1.0 
     -0.29549175       0.29549175       0.50000000 1.0 
     -0.31026634       0.31026634       0.50000000 1.0 
     -0.32504092       0.32504092       0.50000000 1.0 
     -0.33981551       0.33981551       0.50000000 1.0 
     -0.35459010       0.35459010       0.50000000 1.0 
     -0.36936469       0.36936469       0.50000000 1.0 
     -0.36936469       0.36936469       0.50000000 1.0 
     -0.37869578       0.37869578       0.49066891 1.0 
     -0.38802687       0.38802687       0.48133781 1.0 
     -0.39735797       0.39735797       0.47200672 1.0 
     -0.40668906       0.40668906       0.46267562 1.0 
     -0.41602015       0.41602015       0.45334453 1.0 
     -0.42535125       0.42535125       0.44401344 1.0 
     -0.43468234       0.43468234       0.43468234 1.0 
     -0.43468234       0.43468234       0.43468234 1.0 
     -0.42408033       0.42408033       0.42408033 1.0 
     -0.41347833       0.41347833       0.41347833 1.0 
     -0.40287632       0.40287632       0.40287632 1.0 
     -0.39227431       0.39227431       0.39227431 1.0 
     -0.38167230       0.38167230       0.38167230 1.0 
     -0.37107029       0.37107029       0.37107029 1.0 
     -0.36046828       0.36046828       0.36046828 1.0 
     -0.34986628       0.34986628       0.34986628 1.0 
     -0.33926427       0.33926427       0.33926427 1.0 
     -0.32866226       0.32866226       0.32866226 1.0 
     -0.31806025       0.31806025       0.31806025 1.0 
     -0.30745824       0.30745824       0.30745824 1.0 
     -0.29685623       0.29685623       0.29685623 1.0 
     -0.28625423       0.28625423       0.28625423 1.0 
     -0.27565222       0.27565222       0.27565222 1.0 
     -0.26505021       0.26505021       0.26505021 1.0 
     -0.25444820       0.25444820       0.25444820 1.0 
     -0.24384619       0.24384619       0.24384619 1.0 
     -0.23324418       0.23324418       0.23324418 1.0 
     -0.22264218       0.22264218       0.22264218 1.0 
     -0.21204017       0.21204017       0.21204017 1.0 
     -0.20143816       0.20143816       0.20143816 1.0 
     -0.19083615       0.19083615       0.19083615 1.0 
     -0.18023414       0.18023414       0.18023414 1.0 
     -0.16963213       0.16963213       0.16963213 1.0 
     -0.15903013       0.15903013       0.15903013 1.0 
     -0.14842812       0.14842812       0.14842812 1.0 
     -0.13782611       0.13782611       0.13782611 1.0 
     -0.12722410       0.12722410       0.12722410 1.0 
     -0.11662209       0.11662209       0.11662209 1.0 
     -0.10602008       0.10602008       0.10602008 1.0 
     -0.09541808       0.09541808       0.09541808 1.0 
     -0.08481607       0.08481607       0.08481607 1.0 
     -0.07421406       0.07421406       0.07421406 1.0 
     -0.06361205       0.06361205       0.06361205 1.0 
     -0.05301004       0.05301004       0.05301004 1.0 
     -0.04240803       0.04240803       0.04240803 1.0 
     -0.03180603       0.03180603       0.03180603 1.0 
     -0.02120402       0.02120402       0.02120402 1.0 
     -0.01060201       0.01060201       0.01060201 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.01250000      -0.01250000 1.0 
      0.02500000       0.02500000      -0.02500000 1.0 
      0.03750000       0.03750000      -0.03750000 1.0 
      0.05000000       0.05000000      -0.05000000 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.07500000       0.07500000      -0.07500000 1.0 
      0.08750000       0.08750000      -0.08750000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.11250000       0.11250000      -0.11250000 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.13750000       0.13750000      -0.13750000 1.0 
      0.15000000       0.15000000      -0.15000000 1.0 
      0.16250000       0.16250000      -0.16250000 1.0 
      0.17500000       0.17500000      -0.17500000 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.21250000       0.21250000      -0.21250000 1.0 
      0.22500000       0.22500000      -0.22500000 1.0 
      0.23750000       0.23750000      -0.23750000 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.26250000       0.26250000      -0.26250000 1.0 
      0.27500000       0.27500000      -0.27500000 1.0 
      0.28750000       0.28750000      -0.28750000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.32500000       0.32500000      -0.32500000 1.0 
      0.33750000       0.33750000      -0.33750000 1.0 
      0.35000000       0.35000000      -0.35000000 1.0 
      0.36250000       0.36250000      -0.36250000 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.38750000       0.38750000      -0.38750000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.41250000       0.41250000      -0.41250000 1.0 
      0.42500000       0.42500000      -0.42500000 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.45000000       0.45000000      -0.45000000 1.0 
      0.46250000       0.46250000      -0.46250000 1.0 
      0.47500000       0.47500000      -0.47500000 1.0 
      0.48750000       0.48750000      -0.48750000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49066891       0.50933109      -0.49066891 1.0 
      0.48133781       0.51866219      -0.48133781 1.0 
      0.47200672       0.52799328      -0.47200672 1.0 
      0.46267562       0.53732438      -0.46267562 1.0 
      0.45334453       0.54665547      -0.45334453 1.0 
      0.44401344       0.55598656      -0.44401344 1.0 
      0.43468234       0.56531766      -0.43468234 1.0 
      0.43468234       0.56531766      -0.43468234 1.0 
      0.41858300       0.56289848      -0.41858300 1.0 
      0.40248365       0.56047931      -0.40248365 1.0 
      0.38638430       0.55806014      -0.38638430 1.0 
      0.37028496       0.55564097      -0.37028496 1.0 
      0.35418561       0.55322179      -0.35418561 1.0 
      0.33808627       0.55080262      -0.33808627 1.0 
      0.32198692       0.54838345      -0.32198692 1.0 
      0.30588757       0.54596428      -0.30588757 1.0 
      0.28978823       0.54354510      -0.28978823 1.0 
      0.27368888       0.54112593      -0.27368888 1.0 
      0.25758954       0.53870676      -0.25758954 1.0 
      0.24149019       0.53628759      -0.24149019 1.0 
      0.22539084       0.53386841      -0.22539084 1.0 
      0.20929150       0.53144924      -0.20929150 1.0 
      0.19319215       0.52903007      -0.19319215 1.0 
      0.17709281       0.52661090      -0.17709281 1.0 
      0.16099346       0.52419172      -0.16099346 1.0 
      0.14489411       0.52177255      -0.14489411 1.0 
      0.12879477       0.51935338      -0.12879477 1.0 
      0.11269542       0.51693421      -0.11269542 1.0 
      0.09659608       0.51451503      -0.09659608 1.0 
      0.08049673       0.51209586      -0.08049673 1.0 
      0.06439738       0.50967669      -0.06439738 1.0 
      0.04829804       0.50725752      -0.04829804 1.0 
      0.03219869       0.50483834      -0.03219869 1.0 
      0.01609935       0.50241917      -0.01609935 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01041667       0.48958333       0.01041667 1.0 
      0.02083333       0.47916667       0.02083333 1.0 
      0.03125000       0.46875000       0.03125000 1.0 
      0.04166667       0.45833333       0.04166667 1.0 
      0.05208333       0.44791667       0.05208333 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.07291667       0.42708333       0.07291667 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09375000       0.40625000       0.09375000 1.0 
      0.10416667       0.39583333       0.10416667 1.0 
      0.11458333       0.38541667       0.11458333 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13541667       0.36458333       0.13541667 1.0 
      0.14583333       0.35416667       0.14583333 1.0 
      0.15625000       0.34375000       0.15625000 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17708333       0.32291667       0.17708333 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.19791667       0.30208333       0.19791667 1.0 
      0.20833333       0.29166667       0.20833333 1.0 
      0.21875000       0.28125000       0.21875000 1.0 
      0.22916667       0.27083333       0.22916667 1.0 
      0.23958333       0.26041667       0.23958333 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25781250       0.25781250       0.23064485 1.0 
      0.26562500       0.26562500       0.21128971 1.0 
      0.27343750       0.27343750       0.19193456 1.0 
      0.28125000       0.28125000       0.17257941 1.0 
      0.28906250       0.28906250       0.15322427 1.0 
      0.29687500       0.29687500       0.13386912 1.0 
      0.30468750       0.30468750       0.11451398 1.0 
      0.31250000       0.31250000       0.09515883 1.0 
      0.32031250       0.32031250       0.07580368 1.0 
      0.32812500       0.32812500       0.05644854 1.0 
      0.33593750       0.33593750       0.03709339 1.0 
      0.34375000       0.34375000       0.01773824 1.0 
      0.35156250       0.35156250      -0.00161690 1.0 
      0.35937500       0.35937500      -0.02097205 1.0 
      0.36718750       0.36718750      -0.04032720 1.0 
      0.37500000       0.37500000      -0.05968234 1.0 
      0.38281250       0.38281250      -0.07903749 1.0 
      0.39062500       0.39062500      -0.09839264 1.0 
      0.39843750       0.39843750      -0.11774778 1.0 
      0.40625000       0.40625000      -0.13710293 1.0 
      0.41406250       0.41406250      -0.15645807 1.0 
      0.42187500       0.42187500      -0.17581322 1.0 
      0.42968750       0.42968750      -0.19516837 1.0 
      0.43750000       0.43750000      -0.21452351 1.0 
      0.44531250       0.44531250      -0.23387866 1.0 
      0.45312500       0.45312500      -0.25323381 1.0 
      0.46093750       0.46093750      -0.27258895 1.0 
      0.46875000       0.46875000      -0.29194410 1.0 
      0.47656250       0.47656250      -0.31129925 1.0 
      0.48437500       0.48437500      -0.33065439 1.0 
      0.49218750       0.49218750      -0.35000954 1.0 
      0.50000000       0.50000000      -0.36936469 1.0 
      0.50000000       0.50000000      -0.36936469 1.0 
      0.50000000       0.50000000      -0.38387972 1.0 
      0.50000000       0.50000000      -0.39839476 1.0 
      0.50000000       0.50000000      -0.41290979 1.0 
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      0.50000000       0.50000000      -0.44193986 1.0 
      0.50000000       0.50000000      -0.45645490 1.0 
      0.50000000       0.50000000      -0.47096993 1.0 
      0.50000000       0.50000000      -0.48548497 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.01250000       0.01250000       0.48750000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.03750000       0.03750000       0.46250000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.08750000       0.08750000       0.41250000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.11250000       0.11250000       0.38750000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.13750000       0.13750000       0.36250000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.16250000       0.16250000       0.33750000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.21250000       0.21250000       0.28750000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.23750000       0.23750000       0.26250000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

