! Pwscf input file created with ciftopw.py 
! Compound: Li2ZrF6
&control
         calculation     = 'bands'
         prefix          = 'Li2ZrF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.5678357418870430
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8148415523398812
         celldm(4)       =            0.3323997296745345
         celldm(5)       =            0.3323997296745345
         celldm(6)       =            0.2428195633416415
         nat             =       18
         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
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
 F  18.9984 F.rel-pbe-n-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
262
      0.00000000       0.00000000       0.00000000 1.0 
      0.01388889       0.01388889      -0.00000000 1.0 
      0.02777778       0.02777778      -0.00000000 1.0 
      0.04166667       0.04166667       0.00000000 1.0 
      0.05555556       0.05555556      -0.00000000 1.0 
      0.06944444       0.06944444      -0.00000000 1.0 
      0.08333333       0.08333333       0.00000000 1.0 
      0.09722222       0.09722222       0.00000000 1.0 
      0.11111111       0.11111111      -0.00000000 1.0 
      0.12500000       0.12500000      -0.00000000 1.0 
      0.13888889       0.13888889      -0.00000000 1.0 
      0.15277778       0.15277778       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.18055556       0.18055556      -0.00000000 1.0 
      0.19444444       0.19444444       0.00000000 1.0 
      0.20833333       0.20833333       0.00000000 1.0 
      0.22222222       0.22222222      -0.00000000 1.0 
      0.23611111       0.23611111      -0.00000000 1.0 
      0.25000000       0.25000000      -0.00000000 1.0 
      0.26388889       0.26388889      -0.00000000 1.0 
      0.27777778       0.27777778      -0.00000000 1.0 
      0.29166667       0.29166667      -0.00000000 1.0 
      0.30555556       0.30555556       0.00000000 1.0 
      0.31944444       0.31944444       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.34722222       0.34722222      -0.00000000 1.0 
      0.36111111       0.36111111      -0.00000000 1.0 
      0.37500000       0.37500000      -0.00000000 1.0 
      0.38888889       0.38888889       0.00000000 1.0 
      0.40277778       0.40277778       0.00000000 1.0 
      0.41666667       0.41666667       0.00000000 1.0 
      0.43055556       0.43055556      -0.00000000 1.0 
      0.44444444       0.44444444      -0.00000000 1.0 
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      0.48611111       0.48611111      -0.00000000 1.0 
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      0.50636121       0.50636121       0.01559382 1.0 
      0.51272243       0.51272243       0.03118764 1.0 
      0.51908364       0.51908364       0.04678146 1.0 
      0.52544485       0.52544485       0.06237528 1.0 
      0.53180607       0.53180607       0.07796909 1.0 
      0.53816728       0.53816728       0.09356291 1.0 
      0.54452850       0.54452850       0.10915673 1.0 
      0.55088971       0.55088971       0.12475055 1.0 
      0.55725092       0.55725092       0.14034437 1.0 
      0.56361214       0.56361214       0.15593819 1.0 
      0.56997335       0.56997335       0.17153201 1.0 
      0.57633456       0.57633456       0.18712583 1.0 
      0.58269578       0.58269578       0.20271964 1.0 
      0.58905699       0.58905699       0.21831346 1.0 
      0.59541820       0.59541820       0.23390728 1.0 
      0.60177942       0.60177942       0.24950110 1.0 
      0.60814063       0.60814063       0.26509492 1.0 
      0.61450184       0.61450184       0.28068874 1.0 
      0.62086306       0.62086306       0.29628256 1.0 
      0.62722427       0.62722427       0.31187638 1.0 
      0.63358549       0.63358549       0.32747019 1.0 
      0.63994670       0.63994670       0.34306401 1.0 
      0.63994670       0.63994670       0.34306401 1.0 
      0.63217188       0.63217188       0.35178268 1.0 
      0.62439707       0.62439707       0.36050135 1.0 
      0.61662225       0.61662225       0.36922001 1.0 
      0.60884743       0.60884743       0.37793868 1.0 
      0.60107262       0.60107262       0.38665734 1.0 
      0.59329780       0.59329780       0.39537601 1.0 
      0.58552298       0.58552298       0.40409468 1.0 
      0.57774817       0.57774817       0.41281334 1.0 
      0.56997335       0.56997335       0.42153201 1.0 
      0.56219853       0.56219853       0.43025067 1.0 
      0.55442372       0.55442372       0.43896934 1.0 
      0.54664890       0.54664890       0.44768800 1.0 
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      0.53109927       0.53109927       0.46512534 1.0 
      0.52332445       0.52332445       0.47384400 1.0 
      0.51554963       0.51554963       0.48256267 1.0 
      0.50777482       0.50777482       0.49128133 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.57953800       0.42046200       0.50000000 1.0 
      0.59090057       0.40909943       0.50000000 1.0 
      0.60226314       0.39773686       0.50000000 1.0 
      0.61362571       0.38637429       0.50000000 1.0 
      0.62498829       0.37501171       0.50000000 1.0 
      0.63635086       0.36364914       0.50000000 1.0 
      0.64771343       0.35228657       0.50000000 1.0 
      0.65907600       0.34092400       0.50000000 1.0 
      0.67043857       0.32956143       0.50000000 1.0 
      0.68180114       0.31819886       0.50000000 1.0 
      0.69316371       0.30683629       0.50000000 1.0 
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      0.71588886       0.28411114       0.50000000 1.0 
      0.28411114      -0.28411114       0.50000000 1.0 
      0.27227318      -0.27227318       0.50000000 1.0 
      0.26043521      -0.26043521       0.50000000 1.0 
      0.24859725      -0.24859725       0.50000000 1.0 
      0.23675929      -0.23675929       0.50000000 1.0 
      0.22492132      -0.22492132       0.50000000 1.0 
      0.21308336      -0.21308336       0.50000000 1.0 
      0.20124539      -0.20124539       0.50000000 1.0 
      0.18940743      -0.18940743       0.50000000 1.0 
      0.17756946      -0.17756946       0.50000000 1.0 
      0.16573150      -0.16573150       0.50000000 1.0 
      0.15389354      -0.15389354       0.50000000 1.0 
      0.14205557      -0.14205557       0.50000000 1.0 
      0.13021761      -0.13021761       0.50000000 1.0 
      0.11837964      -0.11837964       0.50000000 1.0 
      0.10654168      -0.10654168       0.50000000 1.0 
      0.09470371      -0.09470371       0.50000000 1.0 
      0.08286575      -0.08286575       0.50000000 1.0 
      0.07102779      -0.07102779       0.50000000 1.0 
      0.05918982      -0.05918982       0.50000000 1.0 
      0.04735186      -0.04735186       0.50000000 1.0 
      0.03551389      -0.03551389       0.50000000 1.0 
      0.02367593      -0.02367593       0.50000000 1.0 
      0.01183796      -0.01183796       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01500222       0.01500222       0.50653900 1.0 
      0.03000444       0.03000444       0.51307800 1.0 
      0.04500666       0.04500666       0.51961700 1.0 
      0.06000888       0.06000888       0.52615600 1.0 
      0.07501110       0.07501110       0.53269500 1.0 
      0.09001333       0.09001333       0.53923400 1.0 
      0.10501555       0.10501555       0.54577300 1.0 
      0.12001777       0.12001777       0.55231200 1.0 
      0.13501999       0.13501999       0.55885099 1.0 
      0.15002221       0.15002221       0.56538999 1.0 
      0.16502443       0.16502443       0.57192899 1.0 
      0.18002665       0.18002665       0.57846799 1.0 
      0.19502887       0.19502887       0.58500699 1.0 
      0.21003109       0.21003109       0.59154599 1.0 
      0.22503331       0.22503331       0.59808499 1.0 
      0.24003553       0.24003553       0.60462399 1.0 
      0.25503775       0.25503775       0.61116299 1.0 
      0.27003998       0.27003998       0.61770199 1.0 
      0.28504220       0.28504220       0.62424099 1.0 
      0.30004442       0.30004442       0.63077999 1.0 
      0.31504664       0.31504664       0.63731899 1.0 
      0.33004886       0.33004886       0.64385799 1.0 
      0.34505108       0.34505108       0.65039699 1.0 
      0.36005330       0.36005330       0.65693599 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

