! Pwscf input file created with ciftopw.py 
! Compound: NaLiV2O6
&control
         calculation     = 'bands'
         prefix          = 'NaLiV2O6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.8762939932692682
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8578126914062933
         celldm(4)       =            0.1313726398903904
         celldm(5)       =            0.1313726398903904
         celldm(6)       =            0.1158251266268572
         nat             =       20
         ntyp            =        4
         ecutwfc         =      103.00000000
         ecutrho         =      646.00000000
         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 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 V  50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
229
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500       0.01562500       0.00000000 1.0 
      0.03125000       0.03125000       0.00000000 1.0 
      0.04687500       0.04687500       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.07812500       0.07812500       0.00000000 1.0 
      0.09375000       0.09375000       0.00000000 1.0 
      0.10937500       0.10937500       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.14062500       0.14062500       0.00000000 1.0 
      0.15625000       0.15625000       0.00000000 1.0 
      0.17187500       0.17187500       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.20312500       0.20312500       0.00000000 1.0 
      0.21875000       0.21875000       0.00000000 1.0 
      0.23437500       0.23437500       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26562500       0.26562500       0.00000000 1.0 
      0.28125000       0.28125000       0.00000000 1.0 
      0.29687500       0.29687500       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.32812500       0.32812500       0.00000000 1.0 
      0.34375000       0.34375000       0.00000000 1.0 
      0.35937500       0.35937500       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.39062500       0.39062500       0.00000000 1.0 
      0.40625000       0.40625000       0.00000000 1.0 
      0.42187500       0.42187500       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.45312500       0.45312500       0.00000000 1.0 
      0.46875000       0.46875000       0.00000000 1.0 
      0.48437500       0.48437500       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50274163       0.50274163       0.01790181 1.0 
      0.50548327       0.50548327       0.03580363 1.0 
      0.50822490       0.50822490       0.05370544 1.0 
      0.51096654       0.51096654       0.07160726 1.0 
      0.51370817       0.51370817       0.08950907 1.0 
      0.51644980       0.51644980       0.10741088 1.0 
      0.51919144       0.51919144       0.12531270 1.0 
      0.52193307       0.52193307       0.14321451 1.0 
      0.52467471       0.52467471       0.16111633 1.0 
      0.52741634       0.52741634       0.17901814 1.0 
      0.53015798       0.53015798       0.19691995 1.0 
      0.53289961       0.53289961       0.21482177 1.0 
      0.53564124       0.53564124       0.23272358 1.0 
      0.53838288       0.53838288       0.25062539 1.0 
      0.54112451       0.54112451       0.26852721 1.0 
      0.54386615       0.54386615       0.28642902 1.0 
      0.54660778       0.54660778       0.30433084 1.0 
      0.54934941       0.54934941       0.32223265 1.0 
      0.55209105       0.55209105       0.34013446 1.0 
      0.55483268       0.55483268       0.35803628 1.0 
      0.55757432       0.55757432       0.37593809 1.0 
      0.56031595       0.56031595       0.39383991 1.0 
      0.56305759       0.56305759       0.41174172 1.0 
      0.56305759       0.56305759       0.41174172 1.0 
      0.55404936       0.55404936       0.42435005 1.0 
      0.54504113       0.54504113       0.43695837 1.0 
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      0.52702468       0.52702468       0.46217502 1.0 
      0.51801645       0.51801645       0.47478335 1.0 
      0.50900823       0.50900823       0.48739167 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.54057177       0.45942823       0.50000000 1.0 
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      0.56761961       0.43238039       0.50000000 1.0 
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      0.39180862      -0.39180862       0.50000000 1.0 
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      0.34982912      -0.34982912       0.50000000 1.0 
      0.33583596      -0.33583596       0.50000000 1.0 
      0.32184279      -0.32184279       0.50000000 1.0 
      0.30784963      -0.30784963       0.50000000 1.0 
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      0.25187697      -0.25187697       0.50000000 1.0 
      0.23788380      -0.23788380       0.50000000 1.0 
      0.22389064      -0.22389064       0.50000000 1.0 
      0.20989747      -0.20989747       0.50000000 1.0 
      0.19590431      -0.19590431       0.50000000 1.0 
      0.18191114      -0.18191114       0.50000000 1.0 
      0.16791798      -0.16791798       0.50000000 1.0 
      0.15392481      -0.15392481       0.50000000 1.0 
      0.13993165      -0.13993165       0.50000000 1.0 
      0.12593848      -0.12593848       0.50000000 1.0 
      0.11194532      -0.11194532       0.50000000 1.0 
      0.09795215      -0.09795215       0.50000000 1.0 
      0.08395899      -0.08395899       0.50000000 1.0 
      0.06996582      -0.06996582       0.50000000 1.0 
      0.05597266      -0.05597266       0.50000000 1.0 
      0.04197949      -0.04197949       0.50000000 1.0 
      0.02798633      -0.02798633       0.50000000 1.0 
      0.01399316      -0.01399316       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01618305       0.01618305       0.50326883 1.0 
      0.03236610       0.03236610       0.50653765 1.0 
      0.04854916       0.04854916       0.50980648 1.0 
      0.06473221       0.06473221       0.51307530 1.0 
      0.08091526       0.08091526       0.51634413 1.0 
      0.09709831       0.09709831       0.51961295 1.0 
      0.11328137       0.11328137       0.52288178 1.0 
      0.12946442       0.12946442       0.52615060 1.0 
      0.14564747       0.14564747       0.52941943 1.0 
      0.16183052       0.16183052       0.53268825 1.0 
      0.17801358       0.17801358       0.53595708 1.0 
      0.19419663       0.19419663       0.53922590 1.0 
      0.21037968       0.21037968       0.54249473 1.0 
      0.22656273       0.22656273       0.54576355 1.0 
      0.24274579       0.24274579       0.54903238 1.0 
      0.25892884       0.25892884       0.55230120 1.0 
      0.27511189       0.27511189       0.55557003 1.0 
      0.29129494       0.29129494       0.55883885 1.0 
      0.30747800       0.30747800       0.56210768 1.0 
      0.32366105       0.32366105       0.56537650 1.0 
      0.33984410       0.33984410       0.56864533 1.0 
      0.35602715       0.35602715       0.57191415 1.0 
      0.37221021       0.37221021       0.57518298 1.0 
      0.38839326       0.38839326       0.57845180 1.0 
      0.40457631       0.40457631       0.58172063 1.0 
      0.42075936       0.42075936       0.58498945 1.0 
      0.43694241       0.43694241       0.58825828 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51139435       0.48860565       0.00000000 1.0 
      0.52278870       0.47721130       0.00000000 1.0 
      0.53418304       0.46581696       0.00000000 1.0 
      0.54557739       0.45442261       0.00000000 1.0 
      0.45442261      -0.45442261      -0.00000000 1.0 
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      0.42602120      -0.42602120      -0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

