! Pwscf input file created with ciftopw.py 
! Compound: LiTa3O8
&control
         calculation     = 'bands'
         prefix          = 'LiTa3O8'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.0578675193602081
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.6788452253734369
         celldm(4)       =            0.0115936399825409
         celldm(5)       =            0.0115936399825409
         celldm(6)       =           -0.1994565638427823
         nat             =       24
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         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 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
258
      0.00000000       0.00000000       0.00000000 1.0 
      0.01488769       0.01488769       0.00011717 1.0 
      0.02977539       0.02977539       0.00023434 1.0 
      0.04466308       0.04466308       0.00035151 1.0 
      0.05955078       0.05955078       0.00046868 1.0 
      0.07443847       0.07443847       0.00058585 1.0 
      0.08932617       0.08932617       0.00070302 1.0 
      0.10421386       0.10421386       0.00082019 1.0 
      0.11910156       0.11910156       0.00093736 1.0 
      0.13398925       0.13398925       0.00105453 1.0 
      0.14887694       0.14887694       0.00117170 1.0 
      0.16376464       0.16376464       0.00128887 1.0 
      0.17865233       0.17865233       0.00140605 1.0 
      0.19354003       0.19354003       0.00152322 1.0 
      0.20842772       0.20842772       0.00164039 1.0 
      0.22331542       0.22331542       0.00175756 1.0 
      0.23820311       0.23820311       0.00187473 1.0 
      0.25309081       0.25309081       0.00199190 1.0 
      0.26797850       0.26797850       0.00210907 1.0 
      0.28286620       0.28286620       0.00222624 1.0 
      0.29775389       0.29775389       0.00234341 1.0 
      0.31264158       0.31264158       0.00246058 1.0 
      0.32752928       0.32752928       0.00257775 1.0 
      0.34241697       0.34241697       0.00269492 1.0 
      0.35730467       0.35730467       0.00281209 1.0 
      0.37219236       0.37219236       0.00292926 1.0 
      0.38708006       0.38708006       0.00304643 1.0 
      0.40196775       0.40196775       0.00316360 1.0 
      0.41685545       0.41685545       0.00328077 1.0 
      0.41685545       0.41685545       0.00328077 1.0 
      0.41712829       0.41712829       0.01925660 1.0 
      0.41740113       0.41740113       0.03523243 1.0 
      0.41767397       0.41767397       0.05120826 1.0 
      0.41794682       0.41794682       0.06718409 1.0 
      0.41821966       0.41821966       0.08315992 1.0 
      0.41849250       0.41849250       0.09913575 1.0 
      0.41876534       0.41876534       0.11511158 1.0 
      0.41903819       0.41903819       0.13108741 1.0 
      0.41931103       0.41931103       0.14706324 1.0 
      0.41958387       0.41958387       0.16303907 1.0 
      0.41985672       0.41985672       0.17901490 1.0 
      0.42012956       0.42012956       0.19499073 1.0 
      0.42040240       0.42040240       0.21096656 1.0 
      0.42067524       0.42067524       0.22694239 1.0 
      0.42094809       0.42094809       0.24291822 1.0 
      0.42122093       0.42122093       0.25889405 1.0 
      0.42149377       0.42149377       0.27486987 1.0 
      0.42176662       0.42176662       0.29084570 1.0 
      0.42203946       0.42203946       0.30682153 1.0 
      0.42231230       0.42231230       0.32279736 1.0 
      0.42258514       0.42258514       0.33877319 1.0 
      0.42285799       0.42285799       0.35474902 1.0 
      0.42313083       0.42313083       0.37072485 1.0 
      0.42340367       0.42340367       0.38670068 1.0 
      0.42367651       0.42367651       0.40267651 1.0 
      0.42394936       0.42394936       0.41865234 1.0 
      0.42422220       0.42422220       0.43462817 1.0 
      0.42449504       0.42449504       0.45060400 1.0 
      0.42476789       0.42476789       0.46657983 1.0 
      0.42504073       0.42504073       0.48255566 1.0 
      0.42531357       0.42531357       0.49853149 1.0 
      0.42531357       0.42531357       0.49853149 1.0 
      0.41685545       0.41685545       0.50328077 1.0 
      0.40839732       0.40839732       0.50803006 1.0 
      0.40839732       0.40839732       0.50803006 1.0 
      0.39381170       0.39381170       0.50774327 1.0 
      0.37922608       0.37922608       0.50745648 1.0 
      0.36464046       0.36464046       0.50716969 1.0 
      0.35005485       0.35005485       0.50688290 1.0 
      0.33546923       0.33546923       0.50659612 1.0 
      0.32088361       0.32088361       0.50630933 1.0 
      0.30629799       0.30629799       0.50602254 1.0 
      0.29171237       0.29171237       0.50573575 1.0 
      0.27712675       0.27712675       0.50544897 1.0 
      0.26254113       0.26254113       0.50516218 1.0 
      0.24795552       0.24795552       0.50487539 1.0 
      0.23336990       0.23336990       0.50458860 1.0 
      0.21878428       0.21878428       0.50430182 1.0 
      0.20419866       0.20419866       0.50401503 1.0 
      0.18961304       0.18961304       0.50372824 1.0 
      0.17502742       0.17502742       0.50344145 1.0 
      0.16044180       0.16044180       0.50315466 1.0 
      0.14585619       0.14585619       0.50286788 1.0 
      0.13127057       0.13127057       0.50258109 1.0 
      0.11668495       0.11668495       0.50229430 1.0 
      0.10209933       0.10209933       0.50200751 1.0 
      0.08751371       0.08751371       0.50172073 1.0 
      0.07292809       0.07292809       0.50143394 1.0 
      0.05834247       0.05834247       0.50114715 1.0 
      0.04375686       0.04375686       0.50086036 1.0 
      0.02917124       0.02917124       0.50057358 1.0 
      0.01458562       0.01458562       0.50028679 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01785714      -0.01785714       0.50000000 1.0 
      0.03571429      -0.03571429       0.50000000 1.0 
      0.05357143      -0.05357143       0.50000000 1.0 
      0.07142857      -0.07142857       0.50000000 1.0 
      0.08928571      -0.08928571       0.50000000 1.0 
      0.10714286      -0.10714286       0.50000000 1.0 
      0.12500000      -0.12500000       0.50000000 1.0 
      0.14285714      -0.14285714       0.50000000 1.0 
      0.16071429      -0.16071429       0.50000000 1.0 
      0.17857143      -0.17857143       0.50000000 1.0 
      0.19642857      -0.19642857       0.50000000 1.0 
      0.21428571      -0.21428571       0.50000000 1.0 
      0.23214286      -0.23214286       0.50000000 1.0 
      0.25000000      -0.25000000       0.50000000 1.0 
      0.26785714      -0.26785714       0.50000000 1.0 
      0.28571429      -0.28571429       0.50000000 1.0 
      0.30357143      -0.30357143       0.50000000 1.0 
      0.32142857      -0.32142857       0.50000000 1.0 
      0.33928571      -0.33928571       0.50000000 1.0 
      0.35714286      -0.35714286       0.50000000 1.0 
      0.37500000      -0.37500000       0.50000000 1.0 
      0.39285714      -0.39285714       0.50000000 1.0 
      0.41071429      -0.41071429       0.50000000 1.0 
      0.42857143      -0.42857143       0.50000000 1.0 
      0.44642857      -0.44642857       0.50000000 1.0 
      0.46428571      -0.46428571       0.50000000 1.0 
      0.48214286      -0.48214286       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.51493729      -0.48506271       0.50029370 1.0 
      0.52987457      -0.47012543       0.50058740 1.0 
      0.54481186      -0.45518814       0.50088111 1.0 
      0.55974914      -0.44025086       0.50117481 1.0 
      0.57468643      -0.42531357       0.50146851 1.0 
      0.59160268      -0.40839732       0.49196994 1.0 
      0.59132984      -0.40867016       0.47599411 1.0 
      0.59105700      -0.40894300       0.46001829 1.0 
      0.59078415      -0.40921585       0.44404246 1.0 
      0.59051131      -0.40948869       0.42806663 1.0 
      0.59023847      -0.40976153       0.41209080 1.0 
      0.58996562      -0.41003438       0.39611497 1.0 
      0.58969278      -0.41030722       0.38013914 1.0 
      0.58941994      -0.41058006       0.36416331 1.0 
      0.58914710      -0.41085290       0.34818748 1.0 
      0.58887425      -0.41112575       0.33221165 1.0 
      0.58860141      -0.41139859       0.31623582 1.0 
      0.58832857      -0.41167143       0.30025999 1.0 
      0.58805572      -0.41194428       0.28428416 1.0 
      0.58778288      -0.41221712       0.26830833 1.0 
      0.58751004      -0.41248996       0.25233250 1.0 
      0.58723720      -0.41276280       0.23635667 1.0 
      0.58696435      -0.41303565       0.22038084 1.0 
      0.58669151      -0.41330849       0.20440501 1.0 
      0.58641867      -0.41358133       0.18842918 1.0 
      0.58614583      -0.41385417       0.17245335 1.0 
      0.58587298      -0.41412702       0.15647752 1.0 
      0.58560014      -0.41439986       0.14050169 1.0 
      0.58532730      -0.41467270       0.12452586 1.0 
      0.58505445      -0.41494555       0.10855003 1.0 
      0.58478161      -0.41521839       0.09257421 1.0 
      0.58450877      -0.41549123       0.07659838 1.0 
      0.58423593      -0.41576407       0.06062255 1.0 
      0.58396308      -0.41603692       0.04464672 1.0 
      0.58369024      -0.41630976       0.02867089 1.0 
      0.58341740      -0.41658260       0.01269506 1.0 
      0.58314455      -0.41685545      -0.00328077 1.0 
      0.58314455      -0.41685545      -0.00328077 1.0 
      0.56928713      -0.43071287      -0.00273398 1.0 
      0.55542970      -0.44457030      -0.00218718 1.0 
      0.54157228      -0.45842772      -0.00164039 1.0 
      0.52771485      -0.47228515      -0.00109359 1.0 
      0.51385743      -0.48614257      -0.00054680 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
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      0.48214286      -0.48214286       0.00000000 1.0 
      0.46428571      -0.46428571       0.00000000 1.0 
      0.44642857      -0.44642857       0.00000000 1.0 
      0.42857143      -0.42857143       0.00000000 1.0 
      0.41071429      -0.41071429       0.00000000 1.0 
      0.39285714      -0.39285714       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.35714286      -0.35714286       0.00000000 1.0 
      0.33928571      -0.33928571       0.00000000 1.0 
      0.32142857      -0.32142857       0.00000000 1.0 
      0.30357143      -0.30357143       0.00000000 1.0 
      0.28571429      -0.28571429       0.00000000 1.0 
      0.26785714      -0.26785714       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.23214286      -0.23214286       0.00000000 1.0 
      0.21428571      -0.21428571       0.00000000 1.0 
      0.19642857      -0.19642857       0.00000000 1.0 
      0.17857143      -0.17857143       0.00000000 1.0 
      0.16071429      -0.16071429       0.00000000 1.0 
      0.14285714      -0.14285714       0.00000000 1.0 
      0.12500000      -0.12500000       0.00000000 1.0 
      0.10714286      -0.10714286       0.00000000 1.0 
      0.08928571      -0.08928571       0.00000000 1.0 
      0.07142857      -0.07142857       0.00000000 1.0 
      0.05357143      -0.05357143       0.00000000 1.0 
      0.03571429      -0.03571429       0.00000000 1.0 
      0.01785714      -0.01785714       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.02272727       0.00000000       0.00000000 1.0 
      0.04545455       0.00000000       0.00000000 1.0 
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      0.09090909       0.00000000       0.00000000 1.0 
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      0.15909091      -0.00000000       0.00000000 1.0 
      0.18181818       0.00000000       0.00000000 1.0 
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      0.31818182      -0.00000000       0.00000000 1.0 
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      0.46052632       0.00000000       0.46052632 1.0 
      0.44736842       0.00000000       0.44736842 1.0 
      0.43421053       0.00000000       0.43421053 1.0 
      0.42105263       0.00000000       0.42105263 1.0 
      0.40789474       0.00000000       0.40789474 1.0 
      0.39473684       0.00000000       0.39473684 1.0 
      0.38157895       0.00000000       0.38157895 1.0 
      0.36842105       0.00000000       0.36842105 1.0 
      0.35526316      -0.00000000       0.35526316 1.0 
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      0.31578947       0.00000000       0.31578947 1.0 
      0.30263158       0.00000000       0.30263158 1.0 
      0.28947368      -0.00000000       0.28947368 1.0 
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      0.25000000       0.00000000       0.25000000 1.0 
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      0.17105263       0.00000000       0.17105263 1.0 
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      0.13157895      -0.00000000       0.13157895 1.0 
      0.11842105       0.00000000       0.11842105 1.0 
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      0.03947368      -0.00000000       0.03947368 1.0 
      0.02631579      -0.00000000       0.02631579 1.0 
      0.01315789      -0.00000000       0.01315789 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

