! Pwscf input file created with ciftopw.py 
! Compound: ZrBr2
&control
         calculation     = 'bands'
         prefix          = 'ZrBr2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.9059747584225946
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9999999999999998
         celldm(4)       =           -0.2971024819229361
         celldm(5)       =           -0.2971024819229361
         celldm(6)       =           -0.2971024819229364
         nat             =       18
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         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 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
199
      0.00000000       0.00000000       0.00000000 1.0 
      0.01376695      -0.02194734       0.01376695 1.0 
      0.02753390      -0.04389467       0.02753390 1.0 
      0.04130085      -0.06584201       0.04130085 1.0 
      0.05506779      -0.08778935       0.05506779 1.0 
      0.06883474      -0.10973669       0.06883474 1.0 
      0.08260169      -0.13168402       0.08260169 1.0 
      0.09636864      -0.15363136       0.09636864 1.0 
      0.11013559      -0.17557870       0.11013559 1.0 
      0.12390254      -0.19752604       0.12390254 1.0 
      0.13766948      -0.21947337       0.13766948 1.0 
      0.15143643      -0.24142071       0.15143643 1.0 
      0.16520338      -0.26336805       0.16520338 1.0 
      0.17897033      -0.28531539       0.17897033 1.0 
      0.19273728      -0.30726272       0.19273728 1.0 
      0.20650423      -0.32921006       0.20650423 1.0 
      0.22027117      -0.35115740       0.22027117 1.0 
      0.23403812      -0.37310474       0.23403812 1.0 
      0.24780507      -0.39505207       0.24780507 1.0 
      0.26157202      -0.41699941       0.26157202 1.0 
      0.27533897      -0.43894675       0.27533897 1.0 
      0.28910592      -0.46089408       0.28910592 1.0 
      0.30287286      -0.48284142       0.30287286 1.0 
      0.31663981      -0.50478876       0.31663981 1.0 
      0.33040676      -0.52673610       0.33040676 1.0 
      0.34417371      -0.54868343       0.34417371 1.0 
      0.35794066      -0.57063077       0.35794066 1.0 
      0.37170761      -0.59257811       0.37170761 1.0 
      0.38547455      -0.61452545       0.38547455 1.0 
      0.38547455      -0.61452545       0.38547455 1.0 
      0.39501834      -0.60498166       0.39501834 1.0 
      0.40456213      -0.59543787       0.40456213 1.0 
      0.41410592      -0.58589408       0.41410592 1.0 
      0.42364970      -0.57635030       0.42364970 1.0 
      0.43319349      -0.56680651       0.43319349 1.0 
      0.44273728      -0.55726272       0.44273728 1.0 
      0.45228106      -0.54771894       0.45228106 1.0 
      0.46182485      -0.53817515       0.46182485 1.0 
      0.47136864      -0.52863136       0.47136864 1.0 
      0.48091243      -0.51908757       0.48091243 1.0 
      0.49045621      -0.50954379       0.49045621 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.49210169      -0.47341555       0.49210169 1.0 
      0.48420339      -0.44683110       0.48420339 1.0 
      0.47630508      -0.42024664       0.47630508 1.0 
      0.46840677      -0.39366219       0.46840677 1.0 
      0.46050847      -0.36707774       0.46050847 1.0 
      0.45261016      -0.34049329       0.45261016 1.0 
      0.44471185      -0.31390884       0.44471185 1.0 
      0.43681355      -0.28732438       0.43681355 1.0 
      0.42891524      -0.26073993       0.42891524 1.0 
      0.42101693      -0.23415548       0.42101693 1.0 
      0.41311863      -0.20757103       0.41311863 1.0 
      0.40522032      -0.18098658       0.40522032 1.0 
      0.39732201      -0.15440212       0.39732201 1.0 
      0.38942371      -0.12781767       0.38942371 1.0 
      0.38152540      -0.10123322       0.38152540 1.0 
      0.37362709      -0.07464877       0.37362709 1.0 
      0.36572879      -0.04806432       0.36572879 1.0 
      0.35783048      -0.02147986       0.35783048 1.0 
      0.34993217       0.00510459       0.34993217 1.0 
      0.34203387       0.03168904       0.34203387 1.0 
      0.33413556       0.05827349       0.33413556 1.0 
      0.32623725       0.08485794       0.32623725 1.0 
      0.31833895       0.11144240       0.31833895 1.0 
      0.31044064       0.13802685       0.31044064 1.0 
      0.30254233       0.16461130       0.30254233 1.0 
      0.29464403       0.19119575       0.29464403 1.0 
      0.28674572       0.21778020       0.28674572 1.0 
      0.27884741       0.24436465       0.27884741 1.0 
      0.27094911       0.27094911       0.27094911 1.0 
      0.27094911       0.27094911       0.27094911 1.0 
      0.26127235       0.26127235       0.26127235 1.0 
      0.25159560       0.25159560       0.25159560 1.0 
      0.24191885       0.24191885       0.24191885 1.0 
      0.23224209       0.23224209       0.23224209 1.0 
      0.22256534       0.22256534       0.22256534 1.0 
      0.21288858       0.21288858       0.21288858 1.0 
      0.20321183       0.20321183       0.20321183 1.0 
      0.19353508       0.19353508       0.19353508 1.0 
      0.18385832       0.18385832       0.18385832 1.0 
      0.17418157       0.17418157       0.17418157 1.0 
      0.16450481       0.16450481       0.16450481 1.0 
      0.15482806       0.15482806       0.15482806 1.0 
      0.14515131       0.14515131       0.14515131 1.0 
      0.13547455       0.13547455       0.13547455 1.0 
      0.12579780       0.12579780       0.12579780 1.0 
      0.11612105       0.11612105       0.11612105 1.0 
      0.10644429       0.10644429       0.10644429 1.0 
      0.09676754       0.09676754       0.09676754 1.0 
      0.08709078       0.08709078       0.08709078 1.0 
      0.07741403       0.07741403       0.07741403 1.0 
      0.06773728       0.06773728       0.06773728 1.0 
      0.05806052       0.05806052       0.05806052 1.0 
      0.04838377       0.04838377       0.04838377 1.0 
      0.03870702       0.03870702       0.03870702 1.0 
      0.02903026       0.02903026       0.02903026 1.0 
      0.01935351       0.01935351       0.01935351 1.0 
      0.00967675       0.00967675       0.00967675 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02083333      -0.02083333       0.00000000 1.0 
      0.04166667      -0.04166667       0.00000000 1.0 
      0.06250000      -0.06250000       0.00000000 1.0 
      0.08333333      -0.08333333       0.00000000 1.0 
      0.10416667      -0.10416667       0.00000000 1.0 
      0.12500000      -0.12500000       0.00000000 1.0 
      0.14583333      -0.14583333       0.00000000 1.0 
      0.16666667      -0.16666667       0.00000000 1.0 
      0.18750000      -0.18750000       0.00000000 1.0 
      0.20833333      -0.20833333       0.00000000 1.0 
      0.22916667      -0.22916667       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.27083333      -0.27083333       0.00000000 1.0 
      0.29166667      -0.29166667       0.00000000 1.0 
      0.31250000      -0.31250000       0.00000000 1.0 
      0.33333333      -0.33333333       0.00000000 1.0 
      0.35416667      -0.35416667       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.39583333      -0.39583333       0.00000000 1.0 
      0.41666667      -0.41666667       0.00000000 1.0 
      0.43750000      -0.43750000       0.00000000 1.0 
      0.45833333      -0.45833333       0.00000000 1.0 
      0.47916667      -0.47916667       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50763503      -0.49236497      -0.02569830 1.0 
      0.51527006      -0.48472994      -0.05139661 1.0 
      0.52290509      -0.47709491      -0.07709491 1.0 
      0.53054012      -0.46945988      -0.10279321 1.0 
      0.53817515      -0.46182485      -0.12849152 1.0 
      0.54581018      -0.45418982      -0.15418982 1.0 
      0.55344521      -0.44655479      -0.17988812 1.0 
      0.56108024      -0.43891976      -0.20558643 1.0 
      0.56871527      -0.43128473      -0.23128473 1.0 
      0.57635030      -0.42364970      -0.25698304 1.0 
      0.58398533      -0.41601467      -0.28268134 1.0 
      0.59162036      -0.40837964      -0.30837964 1.0 
      0.59925539      -0.40074461      -0.33407795 1.0 
      0.60689042      -0.39310958      -0.35977625 1.0 
      0.61452545      -0.38547455      -0.38547455 1.0 
      0.61452545      -0.38547455      -0.38547455 1.0 
      0.62406923      -0.37593077      -0.37593077 1.0 
      0.63361302      -0.36638698      -0.36638698 1.0 
      0.64315681      -0.35684319      -0.35684319 1.0 
      0.65270060      -0.34729940      -0.34729940 1.0 
      0.66224438      -0.33775562      -0.33775562 1.0 
      0.67178817      -0.32821183      -0.32821183 1.0 
      0.68133196      -0.31866804      -0.31866804 1.0 
      0.69087574      -0.30912426      -0.30912426 1.0 
      0.70041953      -0.29958047      -0.29958047 1.0 
      0.70996332      -0.29003668      -0.29003668 1.0 
      0.71950711      -0.28049289      -0.28049289 1.0 
      0.72905089      -0.27094911      -0.27094911 1.0 
      0.72905089      -0.27094911      -0.27094911 1.0 
      0.71632584      -0.25589638      -0.25589638 1.0 
      0.70360079      -0.24084365      -0.24084365 1.0 
      0.69087574      -0.22579092      -0.22579092 1.0 
      0.67815069      -0.21073819      -0.21073819 1.0 
      0.66542565      -0.19568547      -0.19568547 1.0 
      0.65270060      -0.18063274      -0.18063274 1.0 
      0.63997555      -0.16558001      -0.16558001 1.0 
      0.62725050      -0.15052728      -0.15052728 1.0 
      0.61452545      -0.13547455      -0.13547455 1.0 
      0.60180040      -0.12042183      -0.12042183 1.0 
      0.58907535      -0.10536910      -0.10536910 1.0 
      0.57635030      -0.09031637      -0.09031637 1.0 
      0.56362525      -0.07526364      -0.07526364 1.0 
      0.55090020      -0.06021091      -0.06021091 1.0 
      0.53817515      -0.04515818      -0.04515818 1.0 
      0.52545010      -0.03010546      -0.03010546 1.0 
      0.51272505      -0.01505273      -0.01505273 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000      -0.02083333       0.02083333 1.0 
      0.50000000      -0.04166667       0.04166667 1.0 
      0.50000000      -0.06250000       0.06250000 1.0 
      0.50000000      -0.08333333       0.08333333 1.0 
      0.50000000      -0.10416667       0.10416667 1.0 
      0.50000000      -0.12500000       0.12500000 1.0 
      0.50000000      -0.14583333       0.14583333 1.0 
      0.50000000      -0.16666667       0.16666667 1.0 
      0.50000000      -0.18750000       0.18750000 1.0 
      0.50000000      -0.20833333       0.20833333 1.0 
      0.50000000      -0.22916667       0.22916667 1.0 
      0.50000000      -0.25000000       0.25000000 1.0 
      0.50000000      -0.27083333       0.27083333 1.0 
      0.50000000      -0.29166667       0.29166667 1.0 
      0.50000000      -0.31250000       0.31250000 1.0 
      0.50000000      -0.33333333       0.33333333 1.0 
      0.50000000      -0.35416667       0.35416667 1.0 
      0.50000000      -0.37500000       0.37500000 1.0 
      0.50000000      -0.39583333       0.39583333 1.0 
      0.50000000      -0.41666667       0.41666667 1.0 
      0.50000000      -0.43750000       0.43750000 1.0 
      0.50000000      -0.45833333       0.45833333 1.0 
      0.50000000      -0.47916667       0.47916667 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 

