! Pwscf input file created with ciftopw.py 
! Compound: Li6MgBr8
&control
         calculation     = 'bands'
         prefix          = 'Li6MgBr8'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.6718939142417781
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5000000000000001
         celldm(5)       =            0.5000000000000001
         celldm(6)       =            0.5000000000000001
         nat             =       15
         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
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
200
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138       0.00000000       0.01724138 1.0 
      0.03448276       0.00000000       0.03448276 1.0 
      0.05172414       0.00000000       0.05172414 1.0 
      0.06896552       0.00000000       0.06896552 1.0 
      0.08620690       0.00000000       0.08620690 1.0 
      0.10344828       0.00000000       0.10344828 1.0 
      0.12068966       0.00000000       0.12068966 1.0 
      0.13793103       0.00000000       0.13793103 1.0 
      0.15517241      -0.00000000       0.15517241 1.0 
      0.17241379       0.00000000       0.17241379 1.0 
      0.18965517       0.00000000       0.18965517 1.0 
      0.20689655       0.00000000       0.20689655 1.0 
      0.22413793       0.00000000       0.22413793 1.0 
      0.24137931       0.00000000       0.24137931 1.0 
      0.25862069       0.00000000       0.25862069 1.0 
      0.27586207       0.00000000       0.27586207 1.0 
      0.29310345       0.00000000       0.29310345 1.0 
      0.31034483      -0.00000000       0.31034483 1.0 
      0.32758621       0.00000000       0.32758621 1.0 
      0.34482759       0.00000000       0.34482759 1.0 
      0.36206897      -0.00000000       0.36206897 1.0 
      0.37931034       0.00000000       0.37931034 1.0 
      0.39655172       0.00000000       0.39655172 1.0 
      0.41379310       0.00000000       0.41379310 1.0 
      0.43103448      -0.00000000       0.43103448 1.0 
      0.44827586       0.00000000       0.44827586 1.0 
      0.46551724      -0.00000000       0.46551724 1.0 
      0.48275862       0.00000000       0.48275862 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.01666667       0.51666667 1.0 
      0.50000000       0.03333333       0.53333333 1.0 
      0.50000000       0.05000000       0.55000000 1.0 
      0.50000000       0.06666667       0.56666667 1.0 
      0.50000000       0.08333333       0.58333333 1.0 
      0.50000000       0.10000000       0.60000000 1.0 
      0.50000000       0.11666667       0.61666667 1.0 
      0.50000000       0.13333333       0.63333333 1.0 
      0.50000000       0.15000000       0.65000000 1.0 
      0.50000000       0.16666667       0.66666667 1.0 
      0.50000000       0.18333333       0.68333333 1.0 
      0.50000000       0.20000000       0.70000000 1.0 
      0.50000000       0.21666667       0.71666667 1.0 
      0.50000000       0.23333333       0.73333333 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.48863636       0.26136364       0.75000000 1.0 
      0.47727273       0.27272727       0.75000000 1.0 
      0.46590909       0.28409091       0.75000000 1.0 
      0.45454545       0.29545455       0.75000000 1.0 
      0.44318182       0.30681818       0.75000000 1.0 
      0.43181818       0.31818182       0.75000000 1.0 
      0.42045455       0.32954545       0.75000000 1.0 
      0.40909091       0.34090909       0.75000000 1.0 
      0.39772727       0.35227273       0.75000000 1.0 
      0.38636364       0.36363636       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.36290323       0.36290323       0.72580645 1.0 
      0.35080645       0.35080645       0.70161290 1.0 
      0.33870968       0.33870968       0.67741935 1.0 
      0.32661290       0.32661290       0.65322581 1.0 
      0.31451613       0.31451613       0.62903226 1.0 
      0.30241935       0.30241935       0.60483871 1.0 
      0.29032258       0.29032258       0.58064516 1.0 
      0.27822581       0.27822581       0.55645161 1.0 
      0.26612903       0.26612903       0.53225806 1.0 
      0.25403226       0.25403226       0.50806452 1.0 
      0.24193548       0.24193548       0.48387097 1.0 
      0.22983871       0.22983871       0.45967742 1.0 
      0.21774194       0.21774194       0.43548387 1.0 
      0.20564516       0.20564516       0.41129032 1.0 
      0.19354839       0.19354839       0.38709677 1.0 
      0.18145161       0.18145161       0.36290323 1.0 
      0.16935484       0.16935484       0.33870968 1.0 
      0.15725806       0.15725806       0.31451613 1.0 
      0.14516129       0.14516129       0.29032258 1.0 
      0.13306452       0.13306452       0.26612903 1.0 
      0.12096774       0.12096774       0.24193548 1.0 
      0.10887097       0.10887097       0.21774194 1.0 
      0.09677419       0.09677419       0.19354839 1.0 
      0.08467742       0.08467742       0.16935484 1.0 
      0.07258065       0.07258065       0.14516129 1.0 
      0.06048387       0.06048387       0.12096774 1.0 
      0.04838710       0.04838710       0.09677419 1.0 
      0.03629032       0.03629032       0.07258065 1.0 
      0.02419355       0.02419355       0.04838710 1.0 
      0.01209677       0.01209677       0.02419355 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02000000       0.02000000       0.02000000 1.0 
      0.04000000       0.04000000       0.04000000 1.0 
      0.06000000       0.06000000       0.06000000 1.0 
      0.08000000       0.08000000       0.08000000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.12000000       0.12000000       0.12000000 1.0 
      0.14000000       0.14000000       0.14000000 1.0 
      0.16000000       0.16000000       0.16000000 1.0 
      0.18000000       0.18000000       0.18000000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.22000000       0.22000000       0.22000000 1.0 
      0.24000000       0.24000000       0.24000000 1.0 
      0.26000000       0.26000000       0.26000000 1.0 
      0.28000000       0.28000000       0.28000000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.32000000       0.32000000       0.32000000 1.0 
      0.34000000       0.34000000       0.34000000 1.0 
      0.36000000       0.36000000       0.36000000 1.0 
      0.38000000       0.38000000       0.38000000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.42000000       0.42000000       0.42000000 1.0 
      0.44000000       0.44000000       0.44000000 1.0 
      0.46000000       0.46000000       0.46000000 1.0 
      0.48000000       0.48000000       0.48000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50694444       0.48611111       0.50694444 1.0 
      0.51388889       0.47222222       0.51388889 1.0 
      0.52083333       0.45833333       0.52083333 1.0 
      0.52777778       0.44444444       0.52777778 1.0 
      0.53472222       0.43055556       0.53472222 1.0 
      0.54166667       0.41666667       0.54166667 1.0 
      0.54861111       0.40277778       0.54861111 1.0 
      0.55555556       0.38888889       0.55555556 1.0 
      0.56250000       0.37500000       0.56250000 1.0 
      0.56944444       0.36111111       0.56944444 1.0 
      0.57638889       0.34722222       0.57638889 1.0 
      0.58333333       0.33333333       0.58333333 1.0 
      0.59027778       0.31944444       0.59027778 1.0 
      0.59722222       0.30555556       0.59722222 1.0 
      0.60416667       0.29166667       0.60416667 1.0 
      0.61111111       0.27777778       0.61111111 1.0 
      0.61805556       0.26388889       0.61805556 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61363636       0.25000000       0.63636364 1.0 
      0.60227273       0.25000000       0.64772727 1.0 
      0.59090909       0.25000000       0.65909091 1.0 
      0.57954545       0.25000000       0.67045455 1.0 
      0.56818182       0.25000000       0.68181818 1.0 
      0.55681818       0.25000000       0.69318182 1.0 
      0.54545455       0.25000000       0.70454545 1.0 
      0.53409091       0.25000000       0.71590909 1.0 
      0.52272727       0.25000000       0.72727273 1.0 
      0.51136364       0.25000000       0.73863636 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.26190476       0.73809524 1.0 
      0.50000000       0.27380952       0.72619048 1.0 
      0.50000000       0.28571429       0.71428571 1.0 
      0.50000000       0.29761905       0.70238095 1.0 
      0.50000000       0.30952381       0.69047619 1.0 
      0.50000000       0.32142857       0.67857143 1.0 
      0.50000000       0.33333333       0.66666667 1.0 
      0.50000000       0.34523810       0.65476190 1.0 
      0.50000000       0.35714286       0.64285714 1.0 
      0.50000000       0.36904762       0.63095238 1.0 
      0.50000000       0.38095238       0.61904762 1.0 
      0.50000000       0.39285714       0.60714286 1.0 
      0.50000000       0.40476190       0.59523810 1.0 
      0.50000000       0.41666667       0.58333333 1.0 
      0.50000000       0.42857143       0.57142857 1.0 
      0.50000000       0.44047619       0.55952381 1.0 
      0.50000000       0.45238095       0.54761905 1.0 
      0.50000000       0.46428571       0.53571429 1.0 
      0.50000000       0.47619048       0.52380952 1.0 
      0.50000000       0.48809524       0.51190476 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49305556       0.49305556       0.51388889 1.0 
      0.48611111       0.48611111       0.52777778 1.0 
      0.47916667       0.47916667       0.54166667 1.0 
      0.47222222       0.47222222       0.55555556 1.0 
      0.46527778       0.46527778       0.56944444 1.0 
      0.45833333       0.45833333       0.58333333 1.0 
      0.45138889       0.45138889       0.59722222 1.0 
      0.44444444       0.44444444       0.61111111 1.0 
      0.43750000       0.43750000       0.62500000 1.0 
      0.43055556       0.43055556       0.63888889 1.0 
      0.42361111       0.42361111       0.65277778 1.0 
      0.41666667       0.41666667       0.66666667 1.0 
      0.40972222       0.40972222       0.68055556 1.0 
      0.40277778       0.40277778       0.69444444 1.0 
      0.39583333       0.39583333       0.70833333 1.0 
      0.38888889       0.38888889       0.72222222 1.0 
      0.38194444       0.38194444       0.73611111 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61363636       0.22727273       0.61363636 1.0 
      0.60227273       0.20454545       0.60227273 1.0 
      0.59090909       0.18181818       0.59090909 1.0 
      0.57954545       0.15909091       0.57954545 1.0 
      0.56818182       0.13636364       0.56818182 1.0 
      0.55681818       0.11363636       0.55681818 1.0 
      0.54545455       0.09090909       0.54545455 1.0 
      0.53409091       0.06818182       0.53409091 1.0 
      0.52272727       0.04545455       0.52272727 1.0 
      0.51136364       0.02272727       0.51136364 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

